file int64 | a float64 | siga float64 | b float64 | sigb float64 | c float64 | sigc float64 | alpha float64 | sigalpha float64 | beta float64 | sigbeta float64 | gamma float64 | siggamma float64 | vol float64 | sigvol float64 | celltemp float64 | sigcelltemp float64 | diffrtemp float64 | sigdiffrtemp float64 | cellpressure float64 | sigcellpressure float64 | diffrpressure float64 | sigdiffrpressure float64 | thermalhist string | pressurehist string | compoundsource string | nel string | sg string | sgHall string | sgNumber int64 | commonname string | chemname string | mineral string | formula string | calcformula string | cellformula string | Z int64 | Zprime float64 | acce_code string | authors string | title string | journal string | year int64 | volume int64 | issue string | firstpage string | lastpage string | doi string | method string | radiation string | wavelength float64 | radType string | radSymbol string | Rall float64 | Robs float64 | Rref float64 | wRall float64 | wRobs float64 | wRref float64 | RFsqd float64 | RI float64 | gofall float64 | gofobs float64 | gofgt float64 | gofref float64 | duplicateof int64 | optimal int64 | status string | flags string | text string | svnrevision int64 | date string | time string | onhold string | cif_text string |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
2,006,837 | 10.6688 | 0.0001 | 10.7353 | 0.0001 | 18.8291 | 0.0002 | 83.323 | 0.001 | 83.735 | 0.001 | 76.03 | 0.001 | 2,071.21 | 0.04 | 143 | null | 143 | null | null | null | null | null | 4 | P -1 | -P 1 | 2 | octaphenylcyclotetrasiloxane | - C48 H40 O4 Si4 - | - C48 H40 O4 Si4 - | - C96 H80 O8 Si8 - | 2 | 1 | JZ1227 | Hensen, Karl; Gebhardt, Frank; Kettner, Markus; Pickel, Peter; Bolte, Michael | Two Cyclotetrasiloxanes at 143K | Acta Crystallographica Section C | 1,997 | 53 | 12 | 1867 | 1869 | 10.1107/S0108270197010068 | 0.71073 | MoKα | 0.0375 | 0.0301 | null | 0.0825 | 0.0784 | null | null | null | 1.031 | 1.056 | 1.056 | null | null | null | has coordinates | Hensen, Karl; Gebhardt, Frank; Kettner, Markus; Pickel, Peter; Bolte, Michael
Two Cyclotetrasiloxanes at 143K
Acta Crystallographica Section C
53(12)
(1997)
1867-1869 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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2,006,838 | 6.3603 | 0.0001 | 17.8106 | 0.0003 | 9.3363 | 0.0001 | 90 | null | 99.036 | 0.001 | 90 | null | 1,044.5 | 0.03 | 143 | null | 143 | null | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | 1,3,5,7-Tetra(cyclotetramethylen)cyclotetrasiloxane | - C16 H32 O4 Si4 - | - C16 H32 O4 Si4 - | - C32 H64 O8 Si8 - | 2 | 0.5 | JZ1227 | Hensen, Karl; Gebhardt, Frank; Kettner, Markus; Pickel, Peter; Bolte, Michael | Two Cyclotetrasiloxanes at 143K | Acta Crystallographica Section C | 1,997 | 53 | 12 | 1867 | 1869 | 10.1107/S0108270197010068 | 0.71073 | MoKα | 0.0891 | 0.0546 | null | null | null | 0.1227 | null | null | null | null | null | 1.048 | null | null | has coordinates,has disorder | Hensen, Karl; Gebhardt, Frank; Kettner, Markus; Pickel, Peter; Bolte, Michael
Two Cyclotetrasiloxanes at 143K
Acta Crystallographica Section C
53(12)
(1997)
1867-1869 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,006,839 | 22.995 | 0.006 | 8.0989 | 0.0008 | 19.225 | 0.004 | 90 | null | 117.76 | 0.02 | 90 | null | 3,168.3 | 1.2 | 294 | 1 | 294 | 1 | null | null | null | null | 4 | C 1 2/c 1 | -C 2yc | 15 | Bis(4-methoxyphenylsulfonyl)methane | - C15 H16 O6 S2 - | - C15 H16 O6 S2 - | - C120 H128 O48 S16 - | 8 | 1 | JZ1232 | Meehan, Paul R.; Gregson, Richard M.; Glidewell, Christopher; Ferguson, George | Bis(4-methoxyphenylsulfonyl)methane: a Three-Dimensional Network Generated by Short C—H···O Hydrogen Bonds | Acta Crystallographica Section C | 1,997 | 53 | 12 | 1975 | 1978 | 10.1107/S0108270197011566 | 0.7107 | MolybdenumKα | 0.0863 | 0.0401 | null | 0.1038 | null | 0.0942 | null | null | 1.002 | null | null | 1.17 | null | null | has coordinates | Meehan, Paul R.; Gregson, Richard M.; Glidewell, Christopher; Ferguson, George
Bis(4-methoxyphenylsulfonyl)methane: a Three-Dimensional Network Generated by Short C—H···O Hydrogen Bonds
Acta Crystallographica Section C
53(12)
(1997)
1975-1978 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/68/2006839.cif $
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2,230,129 | 7.8225 | 0.0002 | 8.9426 | 0.0002 | 27.1317 | 0.0006 | 90 | null | 100.679 | 0.001 | 90 | null | 1,865.09 | 0.08 | 297 | 2 | 297 | 2 | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | 4-Hydroxy-3-[(4-hydroxy-2-oxo-2<i>H</i>-3-chromenyl)(3-thienyl)methyl]-2<i>H</i>-chromen-2-one | - C23 H14 O6 S - | - C23 H14 O6 S - | - C92 H56 O24 S4 - | 4 | 1 | RZ2575 | Asad, Mohammad; Oo, Chuan-Wei; Osman, Hasnah; Rosli, Mohd Mustaqim; Fun, Hoong-Kun | 4-Hydroxy-3-[(4-hydroxy-2-oxo-2<i>H</i>-3-chromenyl)(3-thienyl)methyl]-2<i>H</i>-chromen-2-one | Acta Crystallographica Section E | 2,011 | 67 | 5 | o1037 | o1038 | 10.1107/S1600536811011676 | 0.71073 | MoKα | 0.0781 | 0.0439 | null | null | 0.0912 | 0.106 | null | null | null | null | null | 1.019 | null | null | has coordinates,has disorder,has Fobs | Asad, Mohammad; Oo, Chuan-Wei; Osman, Hasnah; Rosli, Mohd Mustaqim; Fun, Hoong-Kun
4-Hydroxy-3-[(4-hydroxy-2-oxo-2<i>H</i>-3-chromenyl)(3-thienyl)methyl]-2<i>H</i>-chromen-2-one
Acta Crystallographica Section E
67(5)
(2011)
o1037-o1038 | 301,806 | 2025-08-19 | 15:27:02 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 17:49:58 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301806 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/23/01/2230129.cif $
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2,006,840 | 8.455 | 0.003 | 7.798 | 0.003 | 21.508 | 0.005 | 90 | null | 91.37 | 0.02 | 90 | null | 1,417.7 | 0.8 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | 4-phenyl-5,6,8-trichloro-3,4-dihydroquinoline-2(1H)one | - C15 H10 Cl3 N O - | - C15 H10 Cl3 N O - | - C60 H40 Cl12 N4 O4 - | 4 | 1 | KA1227 | Thirumurugan, R.; Shanmuga Sundara Raj, S.; Murugan, P.; Ramakrishnan, V. T.; Chacko, K. K. | 5,6,8-Trichloro-4-phenyl-3,4-dihydroquinolin-2(1<i>H</i>)-one | Acta Crystallographica Section C | 1,997 | 53 | 12 | 1862 | 1864 | 10.1107/S0108270197008810 | 1.54178 | CuKα | 0.0842 | 0.0729 | null | 0.2203 | 0.1926 | null | null | null | 1.08 | 1.017 | 1.017 | null | null | null | has coordinates | Thirumurugan, R.; Shanmuga Sundara Raj, S.; Murugan, P.; Ramakrishnan, V. T.; Chacko, K. K.
5,6,8-Trichloro-4-phenyl-3,4-dihydroquinolin-2(1<i>H</i>)-one
Acta Crystallographica Section C
53(12)
(1997)
1862-1864 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/68/2006840.cif $
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2,006,841 | 16.803 | 0.004 | 7.502 | 0.002 | 14.647 | 0.005 | 90 | null | 115.39 | 0.03 | 90 | null | 1,668 | 0.9 | 293 | null | 293 | null | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | 1,1,1-Trifluoro-3-phenylbutyl-2-p-nitrobenzoate | - C17 H14 F3 N O4 - | - C17 H14 F3 N O4 - | - C68 H56 F12 N4 O16 - | 4 | 1 | KA1232 | Faure, René; Félix, Caroline; Laurent, André; Mison, Pierre | 1,1,1-Trifluoro-3-phenyl-2-butyl <i>p</i>-Nitrobenzoate | Acta Crystallographica Section C | 1,997 | 53 | 12 | 1935 | 1937 | 10.1107/S0108270197008822 | 1.5418 | CuKα | null | 0.057 | null | null | 0.067 | null | null | null | null | 1.46 | 1.46 | null | null | null | has coordinates | Faure, René; Félix, Caroline; Laurent, André; Mison, Pierre
1,1,1-Trifluoro-3-phenyl-2-butyl <i>p</i>-Nitrobenzoate
Acta Crystallographica Section C
53(12)
(1997)
1935-1937 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,006,842 | 20.431 | 0.004 | 6.192 | 0.001 | 5.136 | 0.001 | 90 | 0.01 | 95.79 | 0.02 | 90 | 0.01 | 646.4 | 0.2 | 100 | 2 | 100 | 2 | null | null | null | null | 4 | C 1 2 1 | C 2y | 5 | L-Proline Monohydrate | - C5 H11 N O3 - | - C5 H11 N O3 - | - C20 H44 N4 O12 - | 4 | 1 | KA1239 | Janczak, Jan; Luger, Peter | <small>L</small>-Proline Monohydrate at 100 K | Acta Crystallographica Section C | 1,997 | 53 | 12 | 1954 | 1956 | 10.1107/S0108270197011487 | 1.54179 | CuKα | 0.033 | 0.033 | null | 0.084 | 0.084 | null | null | null | 1.207 | 1.207 | 1.207 | null | null | null | has coordinates | Janczak, Jan; Luger, Peter
<small>L</small>-Proline Monohydrate at 100 K
Acta Crystallographica Section C
53(12)
(1997)
1954-1956 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
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2,006,843 | 7.656 | 0.001 | 7.801 | 0.001 | 8.547 | 0.001 | 111.95 | 0.01 | 99.76 | 0.01 | 90.09 | 0.01 | 465.43 | 0.11 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P -1 | -P 1 | 2 | Endo,endo-2,5-dibromo-9-oxabicyclo[4.2.1]nonane | - C8 H12 Br2 O - | - C8 H12 Br2 O - | - C16 H24 Br4 O2 - | 2 | 1 | LN1000 | Hegemann, Klaus; Haufe, Günter; Fröhlich, Roland; Zippel, Frank | Three 2,5-Disubstituted 9-Oxabicyclo[4.2.1]nonanes. Transannular O-Heterocyclization Products of Cycloocta-1,5-diene | Acta Crystallographica Section C | 1,997 | 53 | 12 | 1889 | 1892 | 10.1107/S0108270197011748 | 0.71073 | MoKα | 0.0833 | 0.0387 | null | 0.1077 | 0.0963 | null | null | null | 1.006 | 1.108 | 1.108 | null | null | null | has coordinates | Hegemann, Klaus; Haufe, Günter; Fröhlich, Roland; Zippel, Frank
Three 2,5-Disubstituted 9-Oxabicyclo[4.2.1]nonanes. Transannular O-Heterocyclization Products of Cycloocta-1,5-diene
Acta Crystallographica Section C
53(12)
(1997)
1889-1892 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/68/2006843.cif $
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2,006,844 | 12.433 | 0.002 | 25.248 | 0.004 | 5.59 | 0.001 | 90 | null | 90 | null | 90 | null | 1,754.7 | 0.5 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P n m a | -P 2ac 2n | 62 | Endo,endo-2,5-bis(phenylsulfenyl)-9-oxabicyclo[4.2.1]nonane | - C20 H22 O S2 - | - C20 H22 O S2 - | - C80 H88 O4 S8 - | 4 | 0.5 | LN1000 | Hegemann, Klaus; Haufe, Günter; Fröhlich, Roland; Zippel, Frank | Three 2,5-Disubstituted 9-Oxabicyclo[4.2.1]nonanes. Transannular O-Heterocyclization Products of Cycloocta-1,5-diene | Acta Crystallographica Section C | 1,997 | 53 | 12 | 1889 | 1892 | 10.1107/S0108270197011748 | 0.71073 | MoKα | 0.1037 | 0.0566 | null | 0.1843 | 0.165 | null | null | null | 1.059 | 1.217 | 1.217 | null | null | null | has coordinates,has disorder | Hegemann, Klaus; Haufe, Günter; Fröhlich, Roland; Zippel, Frank
Three 2,5-Disubstituted 9-Oxabicyclo[4.2.1]nonanes. Transannular O-Heterocyclization Products of Cycloocta-1,5-diene
Acta Crystallographica Section C
53(12)
(1997)
1889-1892 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/68/2006844.cif $
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2,006,845 | 6.143 | 0.001 | 6.521 | 0.001 | 9.194 | 0.001 | 90 | null | 106.73 | 0.01 | 90 | null | 352.71 | 0.09 | 223 | 2 | 223 | 2 | null | null | null | null | 3 | P 1 21/n 1 | -P 2yn | 14 | 9,10-Dioxatricyclo[4.2.1.1^2,5^]decane | - C8 H12 O2 - | - C8 H12 O2 - | - C16 H24 O4 - | 2 | 0.5 | LN1000 | Hegemann, Klaus; Haufe, Günter; Fröhlich, Roland; Zippel, Frank | Three 2,5-Disubstituted 9-Oxabicyclo[4.2.1]nonanes. Transannular O-Heterocyclization Products of Cycloocta-1,5-diene | Acta Crystallographica Section C | 1,997 | 53 | 12 | 1889 | 1892 | 10.1107/S0108270197011748 | 1.54178 | CuKα | 0.0636 | 0.0629 | null | 0.1836 | 0.1833 | null | null | null | 1.077 | 1.09 | 1.09 | null | null | null | has coordinates | Hegemann, Klaus; Haufe, Günter; Fröhlich, Roland; Zippel, Frank
Three 2,5-Disubstituted 9-Oxabicyclo[4.2.1]nonanes. Transannular O-Heterocyclization Products of Cycloocta-1,5-diene
Acta Crystallographica Section C
53(12)
(1997)
1889-1892 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/68/2006845.cif $
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2,230,128 | 11.3875 | 0.0005 | 11.4582 | 0.0005 | 13.4885 | 0.0006 | 90 | null | 109.752 | 0.001 | 90 | null | 1,656.43 | 0.13 | 100 | 0.1 | 100 | 0.1 | null | null | null | null | 5 | P 1 21 1 | P 2yb | 4 | 1,1'-Bis(4-fluorophenyl)-3,3'-diisobutyl-4,4'-diphenoxy-1<i>H</i>,1'<i>H</i>-4,4'-bipyrazole-5,5'(4<i>H</i>,4'<i>H</i>)-dione | - C38 H36 F2 N4 O4 - | - C38 H36 F2 N4 O4 - | - C76 H72 F4 N8 O8 - | 2 | 1 | RZ2574 | Fun, Hoong-Kun; Hemamalini, Madhukar; Venkat Ragavan, R.; Vijayakumar, V.; Venkatesh, M. | 1,1'-Bis(4-fluorophenyl)-3,3'-diisobutyl-4,4'-diphenoxy-1<i>H</i>,1'<i>H</i>-4,4'-bipyrazole-5,5'(4<i>H</i>,4'<i>H</i>)-dione | Acta Crystallographica Section E | 2,011 | 67 | 5 | o1036 | 10.1107/S1600536811011664 | 0.71073 | MoKα | 0.0393 | 0.036 | null | null | 0.0935 | 0.0966 | null | null | null | null | null | 1.032 | null | null | has coordinates,has Fobs | Fun, Hoong-Kun; Hemamalini, Madhukar; Venkat Ragavan, R.; Vijayakumar, V.; Venkatesh, M.
1,1'-Bis(4-fluorophenyl)-3,3'-diisobutyl-4,4'-diphenoxy-1<i>H</i>,1'<i>H</i>-4,4'-bipyrazole-5,5'(4<i>H</i>,4'<i>H</i>)-dione
Acta Crystallographica Section E
67(5)
(2011)
o1036 | 301,806 | 2025-08-19 | 15:27:02 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 17:49:58 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301806 $
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2,006,846 | 14.208 | 0.004 | 16.484 | 0.006 | 6.663 | 0.002 | 90 | null | 90 | null | 90 | null | 1,560.5 | 0.9 | 294 | null | 294 | null | null | null | null | null | 4 | P 21 21 21 | P 2ac 2ab | 19 | - C16 H24 Cl2 O - | - C16 H24 Cl2 O - | - C64 H96 Cl8 O4 - | 4 | 1 | LN1007 | Lassaba, E.; Benharref, A.; Giorgi, M.; Pierrot, M. | Cyclopropanation of a β-Himachalene Monoepoxide Derivative | Acta Crystallographica Section C | 1,997 | 53 | 12 | 1943 | 1945 | 10.1107/S0108270197009888 | 0.71073 | MoKα | 0.043 | 0.036 | null | null | 0.048 | null | null | null | null | 1.84 | 1.84 | null | null | null | has coordinates,has Fobs | Lassaba, E.; Benharref, A.; Giorgi, M.; Pierrot, M.
Cyclopropanation of a β-Himachalene Monoepoxide Derivative
Acta Crystallographica Section C
53(12)
(1997)
1943-1945 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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2,006,847 | 9.518 | 0.002 | 14.003 | 0.002 | 14.977 | 0.003 | 90 | null | 90 | null | 90 | null | 1,996.1 | 0.6 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 21 21 21 | P 2ac 2ab | 19 | (3aR, 7aS)-N-Triphenylmethyl-3a,6,7,7a-tetrahydropyrano-[2,3-d]pyrrolid-2-one | - C26 H25 N O2 - | - C26 H25 N O2 - | - C104 H100 N4 O8 - | 4 | 1 | LN1010 | Vassilios Nastopoulos; Ourania Gourgioti; George Balayiannis; George Karigiannis; Dionissios Papaioannou; Constantin Kavounis | (3a<i>R</i>,7a<i>S</i>)-<i>N</i>-Triphenylmethyl-1,2,3,3a,5,6,7,7a-octahydropyrano[3,2-<i>b</i>]pyrrol-2-one | Acta Crystallographica Section C | 1,997 | 53 | 12 | 1971 | 1973 | 10.1107/S010827019701158X | 0.71069 | MoKα | 0.0418 | 0.0406 | null | 0.1067 | null | 0.1053 | null | null | 1.095 | null | null | 1.105 | null | null | has coordinates | Vassilios Nastopoulos; Ourania Gourgioti; George Balayiannis; George Karigiannis; Dionissios Papaioannou; Constantin Kavounis
(3a<i>R</i>,7a<i>S</i>)-<i>N</i>-Triphenylmethyl-1,2,3,3a,5,6,7,7a-octahydropyrano[3,2-<i>b</i>]pyrrol-2-one
Acta Crystallographica Section C
53(12)
(1997)
1971-1973 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/68/2006847.cif $
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2,006,848 | 13.237 | 0.003 | 8.309 | 0.002 | 13.954 | 0.004 | 90 | null | 104.17 | 0.03 | 90 | null | 1,488.1 | 0.7 | 143 | 2 | 143 | 2 | null | null | null | null | 5 | P 1 21 1 | P 2yb | 4 | Ethylammonium Di(benzenesulfonyl)amide: 1,4,7,10,13,16-Hexaoxacyclooctadecane (1:1) | - C26 H42 N2 O10 S2 - | - C26 H42 N2 O10 S2 - | - C52 H84 N4 O20 S4 - | 2 | 1 | LN1011 | Henschel, Dagmar; Blaschette, Armand; Jones, Peter G. | Polysulfonylamines. XCI. Ethylammonium Di(benzenesulfonyl)amide 1,4,7,10,13,16-Hexaoxacyclooctadecane (1/1/1) | Acta Crystallographica Section C | 1,997 | 53 | 12 | 1875 | 1877 | 10.1107/S010827019701007X | 0.71073 | MoKα | 0.0341 | 0.0311 | null | 0.0796 | 0.0756 | null | null | null | 1.042 | 1.034 | 1.034 | null | null | null | has coordinates | Henschel, Dagmar; Blaschette, Armand; Jones, Peter G.
Polysulfonylamines. XCI. Ethylammonium Di(benzenesulfonyl)amide 1,4,7,10,13,16-Hexaoxacyclooctadecane (1/1/1)
Acta Crystallographica Section C
53(12)
(1997)
1875-1877 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/68/2006848.cif $
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2,006,849 | 10.349 | 0.004 | 13.981 | 0.006 | 10.247 | 0.004 | 90 | null | 102.46 | 0.06 | 90 | null | 1,447.7 | 1.1 | 193 | 2 | 193 | 2 | null | null | null | null | 4 | C 1 2/c 1 | -C 2yc | 15 | 1,3-Bis[bis(dimethylamino)]-N-methyldiborylamine | - C9 H27 B2 N5 - | - C8.5 H27 B2 N4.5 - | - C34 H108 B8 N18 - | 4 | 0.5 | LN1012 | Meller, Anton; Hoppe, Holger; Albers, Thomas | 1,3-Bis[bis(dimethylamino)]-<i>N</i>-methyldiborylamine | Acta Crystallographica Section C | 1,997 | 53 | 12 | 1951 | 1952 | 10.1107/S0108270197010822 | 0.71073 | MoKα | 0.064 | 0.056 | null | 0.162 | 0.149 | null | null | null | 1.068 | 1.066 | 1.066 | null | null | null | has coordinates | Meller, Anton; Hoppe, Holger; Albers, Thomas
1,3-Bis[bis(dimethylamino)]-<i>N</i>-methyldiborylamine
Acta Crystallographica Section C
53(12)
(1997)
1951-1952 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/68/2006849.cif $
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2,230,127 | 9.4868 | 0.0005 | 15.3912 | 0.0008 | 8.9756 | 0.0004 | 90 | null | 91.672 | 0.002 | 90 | null | 1,310 | 0.11 | 100 | null | 100 | null | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | (<i>E</i>)-1-(2,4-Dinitrophenyl)-2-[1-(thiophen-2-yl)ethylidene]hydrazine | - C12 H10 N4 O4 S - | - C12 H10 N4 O4 S - | - C48 H40 N16 O16 S4 - | 4 | 1 | RZ2573 | Fun, Hoong-Kun; Jansrisewangwong, Patcharaporn; Chantrapromma, Suchada | (<i>E</i>)-1-(2,4-Dinitrophenyl)-2-[1-(thiophen-2-yl)ethylidene]hydrazine | Acta Crystallographica Section E | 2,011 | 67 | 5 | o1034 | o1035 | 10.1107/S1600536811011135 | 0.71073 | MoKα | 0.0457 | 0.0405 | null | null | 0.1052 | 0.1087 | null | null | null | null | null | 1.076 | null | null | has coordinates,has Fobs | Fun, Hoong-Kun; Jansrisewangwong, Patcharaporn; Chantrapromma, Suchada
(<i>E</i>)-1-(2,4-Dinitrophenyl)-2-[1-(thiophen-2-yl)ethylidene]hydrazine
Acta Crystallographica Section E
67(5)
(2011)
o1034-o1035 | 301,806 | 2025-08-19 | 15:27:02 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 17:49:58 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301806 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/23/01/2230127.cif $
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2,006,850 | 9.031 | 0.001 | 14.262 | 0.002 | 20.58 | 0.002 | 90 | null | 90 | null | 90 | null | 2,650.7 | 0.5 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 21 21 21 | P 2ac 2ab | 19 | (S)-3-(γ-methyl-N^α^-triphenylmethylglutamyl)benzotriazole 1-Oxide | - C31 H28 N4 O4 - | - C31 H28 N4 O4 - | - C124 H112 N16 O16 - | 4 | 1 | LN1017 | Mamos, Petros; Papaioannou, Dionissios; Kavounis, Constantin; Nastopoulos, Vassilios | (<i>S</i>)-3-(<i>O</i>^{γ^}-Methyl-<i>N</i>^{α^}-triphenylmethylglutamyl)benzotriazole 1-Oxide | Acta Crystallographica Section C | 1,997 | 53 | 12 | 1973 | 1975 | 10.1107/S0108270197011591 | 0.71069 | MoKα | 0.048 | 0.046 | null | 0.123 | null | 0.12 | null | null | 1.069 | null | null | 1.079 | null | null | has coordinates | Mamos, Petros; Papaioannou, Dionissios; Kavounis, Constantin; Nastopoulos, Vassilios
(<i>S</i>)-3-(<i>O</i>^{γ^}-Methyl-<i>N</i>^{α^}-triphenylmethylglutamyl)benzotriazole 1-Oxide
Acta Crystallographica Section C
53(12)
(1997)
1973-1975 | 201,955 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2017-10-13 03:08:28 +0300 (Fri, 13 Oct 2017) $
#$Revision: 201955 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/68/2006850.cif $
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2,006,851 | 14.963 | 0.004 | 9.78 | 0.003 | 15.734 | 0.005 | 90 | null | 115.76 | 0.02 | 90 | null | 2,073.7 | 1.1 | 143 | 2 | 143 | 2 | null | null | null | null | 6 | P 1 21/n 1 | -P 2yn | 14 | (1,2-Benzenedisulfonylimido-N,O)(1,4,7,10,13-pentaoxacyclododecane)sodium | - C16 H24 N Na O9 S2 - | - C16 H24 N Na O9 S2 - | - C64 H96 N4 Na4 O36 S8 - | 4 | 1 | LN1019 | Jones, Peter G.; Moers, Oliver; Blaschette, Armand | Polysulfonylamines. XCV. (1,2-Benzenedisulfonylimido-<i>N</i>,<i>O</i>)(1,4,7,10,13-pentaoxacyclopentadecane-κ^5^<i>O</i>)sodium | Acta Crystallographica Section C | 1,997 | 53 | 12 | 1811 | 1813 | 10.1107/S0108270197011062 | 0.71073 | MoKα | 0.0686 | 0.0467 | null | 0.1173 | 0.1022 | null | null | null | 1.03 | 1.038 | 1.038 | null | null | null | has coordinates | Jones, Peter G.; Moers, Oliver; Blaschette, Armand
Polysulfonylamines. XCV. (1,2-Benzenedisulfonylimido-<i>N</i>,<i>O</i>)(1,4,7,10,13-pentaoxacyclopentadecane-κ^5^<i>O</i>)sodium
Acta Crystallographica Section C
53(12)
(1997)
1811-1813 | 201,955 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2017-10-13 03:08:28 +0300 (Fri, 13 Oct 2017) $
#$Revision: 201955 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/68/2006851.cif $
#-------------------------------------------------------------------... | ||||||||||
2,006,852 | 5.8656 | 0.0002 | 14.0699 | 0.0002 | 17.8671 | 0.0002 | 90 | null | 92.335 | 0.004 | 90 | null | 1,473.32 | 0.06 | 295 | null | null | null | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | - C15 H10 Cl3 N O - | - C15 H10 Cl3 N O - | - C60 H40 Cl12 N4 O4 - | 4 | 1 | MU1315 | Ülkü, Dinçer; Ercan, Filiz; Güner, Vildan | 3,3-Dichloro-4-(4-chlorophenyl)-1-phenylazetidin-2-one | Acta Crystallographica Section C | 1,997 | 53 | 12 | 1945 | 1947 | 10.1107/S0108270197009748 | 0.71073 | MoKα | null | 0.055 | null | null | 0.064 | null | null | null | null | 1.1 | 1.1 | null | null | null | has coordinates | Ülkü, Dinçer; Ercan, Filiz; Güner, Vildan
3,3-Dichloro-4-(4-chlorophenyl)-1-phenylazetidin-2-one
Acta Crystallographica Section C
53(12)
(1997)
1945-1947 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/68/2006852.cif $
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2,006,853 | 19.289 | 0.004 | 6.058 | 0.001 | 16.792 | 0.003 | 90 | null | 98.23 | 0.01 | 90 | null | 1,942 | 0.6 | 293 | 2 | 293 | 2 | null | null | null | null | 3 | P 1 21/c 1 | -P 2ybc | 14 | - C27 H21 N - | - C27 H21 N - | - C108 H84 N4 - | 4 | 1 | MU1329 | Jayanta Kumar Ray; Bidhan Chandra Roy; A.Chakraborty; Kandasamy Chinnakali; Hoong-Kun Fun | 6-<i>n</i>-Butylacenaphtho[1,2-<i>b</i>]benzo[<i>h</i>]quinoline | Acta Crystallographica Section C | 1,997 | 53 | 12 | 1864 | 1865 | 10.1107/S0108270197009359 | 0.71073 | MoKα | 0.0769 | 0.042 | null | 0.1379 | 0.117 | null | null | null | 0.891 | 1.012 | 1.012 | null | null | null | has coordinates | Jayanta Kumar Ray; Bidhan Chandra Roy; A.Chakraborty; Kandasamy Chinnakali; Hoong-Kun Fun
6-<i>n</i>-Butylacenaphtho[1,2-<i>b</i>]benzo[<i>h</i>]quinoline
Acta Crystallographica Section C
53(12)
(1997)
1864-1865 | 201,955 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2017-10-13 03:08:28 +0300 (Fri, 13 Oct 2017) $
#$Revision: 201955 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/68/2006853.cif $
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2,006,854 | 10.381 | 0.001 | 12.556 | 0.001 | 6.883 | 0.001 | 90 | null | 102.07 | 0.01 | 90 | null | 877.32 | 0.17 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | 1,2-dimethoxy-4-nitrobenzene. | - C8 H9 N O4 - | - C8 H9 N O4 - | - C32 H36 N4 O16 - | 4 | 1 | MU1333 | Hoong-Kun Fun; Kandasamy Chinnakali; Kandasamy Sivakumar; Teng-Wah Sam; Siew-Eng How | Substituted Methoxybenzene Derivatives: C~8~H~9~NO~4~, C~9~H~11~NO~5~ and C~13~H~18~O~4~ | Acta Crystallographica Section C | 1,997 | 53 | 12 | 1859 | 1862 | 10.1107/S010827019700975X | 0.71073 | MoKα | 0.0842 | 0.0454 | null | 0.1404 | 0.1219 | null | null | null | 0.957 | 1.123 | 1.123 | null | null | null | has coordinates | Hoong-Kun Fun; Kandasamy Chinnakali; Kandasamy Sivakumar; Teng-Wah Sam; Siew-Eng How
Substituted Methoxybenzene Derivatives: C~8~H~9~NO~4~, C~9~H~11~NO~5~ and C~13~H~18~O~4~
Acta Crystallographica Section C
53(12)
(1997)
1859-1862 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/68/2006854.cif $
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2,230,126 | 8.978 | 0.0002 | 13.2864 | 0.0003 | 18.397 | 0.0004 | 90 | null | 90.935 | 0.001 | 90 | null | 2,194.2 | 0.08 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | Ethylenediammonium yttrium squarate tetrahydrate | <i>catena</i>-poly[sesqui(ethylenediammonium) [[tetraaquabis(squarato-κ<i>O</i>)yttrium(III)]-μ-squarato- κ^2^<i>O</i>:<i>O</i>']] | - C30 H46 N6 O32 Y2 - | - C30 H46 N6 O32 Y2 - | - C60 H92 N12 O64 Y4 - | 2 | 0.5 | RU2003 | Zenkhri, Louiza; Audebrand, Nathalie; Bataille, Thierry | Yttrium ethylenediammonium squarate tetrahydrate | Acta Crystallographica Section E | 2,011 | 67 | 5 | m529 | m530 | 10.1107/S1600536811011251 | 0.71073 | MoKα | 0.0579 | 0.0408 | null | null | 0.0929 | 0.1028 | null | null | null | null | null | 1.096 | null | null | has coordinates,has Fobs | Zenkhri, Louiza; Audebrand, Nathalie; Bataille, Thierry
Yttrium ethylenediammonium squarate tetrahydrate
Acta Crystallographica Section E
67(5)
(2011)
m529-m530 | 249,787 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2020-03-27 12:18:32 +0200 (Fri, 27 Mar 2020) $
#$Revision: 249787 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/23/01/2230126.cif $
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2,006,855 | 7.025 | 0.001 | 13.89 | 0.002 | 10.356 | 0.001 | 90 | null | 99.03 | 0.01 | 90 | null | 998 | 0.2 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | 3,4,5-Trimethoxy-1-nitrobenzene | - C9 H11 N O5 - | - C9 H11 N O5 - | - C36 H44 N4 O20 - | 4 | 1 | MU1333 | Hoong-Kun Fun; Kandasamy Chinnakali; Kandasamy Sivakumar; Teng-Wah Sam; Siew-Eng How | Substituted Methoxybenzene Derivatives: C~8~H~9~NO~4~, C~9~H~11~NO~5~ and C~13~H~18~O~4~ | Acta Crystallographica Section C | 1,997 | 53 | 12 | 1859 | 1862 | 10.1107/S010827019700975X | 0.71073 | MoKα | 0.0568 | 0.0408 | null | 0.1324 | 0.1236 | null | null | null | 1.013 | 1.147 | 1.147 | null | null | null | has coordinates | Hoong-Kun Fun; Kandasamy Chinnakali; Kandasamy Sivakumar; Teng-Wah Sam; Siew-Eng How
Substituted Methoxybenzene Derivatives: C~8~H~9~NO~4~, C~9~H~11~NO~5~ and C~13~H~18~O~4~
Acta Crystallographica Section C
53(12)
(1997)
1859-1862 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/68/2006855.cif $
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2,006,856 | 12.1275 | 0.0012 | 7.5965 | 0.0007 | 13.989 | 0.0014 | 90 | null | 96.006 | 0.009 | 90 | null | 1,281.7 | 0.2 | 293 | 2 | 293 | 2 | null | null | null | null | 3 | P 1 21/n 1 | -P 2yn | 14 | 1-(2,4,5-trimethoxyphenyl)-1-butanone. | - C13 H18 O4 - | - C13 H18 O4 - | - C52 H72 O16 - | 4 | 1 | MU1333 | Hoong-Kun Fun; Kandasamy Chinnakali; Kandasamy Sivakumar; Teng-Wah Sam; Siew-Eng How | Substituted Methoxybenzene Derivatives: C~8~H~9~NO~4~, C~9~H~11~NO~5~ and C~13~H~18~O~4~ | Acta Crystallographica Section C | 1,997 | 53 | 12 | 1859 | 1862 | 10.1107/S010827019700975X | 0.71073 | MoKα | 0.072 | 0.0419 | null | 0.132 | 0.1174 | null | null | null | 0.965 | 1.136 | 1.136 | null | null | null | has coordinates | Hoong-Kun Fun; Kandasamy Chinnakali; Kandasamy Sivakumar; Teng-Wah Sam; Siew-Eng How
Substituted Methoxybenzene Derivatives: C~8~H~9~NO~4~, C~9~H~11~NO~5~ and C~13~H~18~O~4~
Acta Crystallographica Section C
53(12)
(1997)
1859-1862 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/68/2006856.cif $
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2,006,857 | 10.399 | 0.001 | 5.806 | 0.001 | 28.126 | 0.002 | 90 | null | 93.02 | 0.01 | 90 | null | 1,695.8 | 0.4 | 293 | 2 | 293 | 2 | null | null | null | null | 3 | P 1 21/n 1 | -P 2yn | 14 | Bis(3,4-dimethoxybenzyl)ether | - C18 H22 O5 - | - C18 H22 O5 - | - C72 H88 O20 - | 4 | 1 | MU1334 | Hoong-Kun Fun; Kandasamy Chinnakali; Kandasamy Sivakumar; Teng-Wah Sam; Siew-Eng How | Bis(3,4-dimethoxybenzyl) Ether and Tetramethoxy-4,4'-(2,3-dimethyltetramethylene)dipyrocatechol | Acta Crystallographica Section C | 1,997 | 53 | 12 | 1857 | 1859 | 10.1107/S0108270197009761 | 0.71073 | MoKα | 0.0842 | 0.0398 | null | 0.1104 | 0.096 | null | null | null | 0.865 | 1.044 | 1.044 | null | null | null | has coordinates | Hoong-Kun Fun; Kandasamy Chinnakali; Kandasamy Sivakumar; Teng-Wah Sam; Siew-Eng How
Bis(3,4-dimethoxybenzyl) Ether and Tetramethoxy-4,4'-(2,3-dimethyltetramethylene)dipyrocatechol
Acta Crystallographica Section C
53(12)
(1997)
1857-1859 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/68/2006857.cif $
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2,230,125 | 5.426 | 0.0005 | 7.4981 | 0.0006 | 24.376 | 0.002 | 90 | null | 93.557 | 0.001 | 90 | null | 989.82 | 0.15 | 298 | 2 | 298 | 2 | null | null | null | null | 5 | P 1 21/m 1 | -P 2yb | 11 | Pentadecylammonium methyl sulfate | - C16 H37 N O4 S - | - C16 H37 N O4 S - | - C32 H74 N2 O8 S2 - | 2 | 0.5 | RU2002 | Zhang, Lijun; Di, Youying; Dan, Wenyan | Pentadecylammonium methyl sulfate | Acta Crystallographica Section E | 2,011 | 67 | 5 | o1051 | 10.1107/S1600536811011226 | 0.71073 | MoKα | 0.1272 | 0.0742 | null | null | 0.2054 | 0.2281 | null | null | null | null | null | 1.056 | null | null | has coordinates,has Fobs | Zhang, Lijun; Di, Youying; Dan, Wenyan
Pentadecylammonium methyl sulfate
Acta Crystallographica Section E
67(5)
(2011)
o1051 | 301,806 | 2025-08-19 | 15:27:02 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 17:49:58 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301806 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/23/01/2230125.cif $
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2,006,858 | 6.274 | 0.001 | 10.571 | 0.001 | 15.426 | 0.001 | 86.49 | 0.01 | 80.78 | 0.01 | 87.72 | 0.01 | 1,007.5 | 0.2 | 293 | 2 | 293 | 2 | null | null | null | null | 3 | P -1 | -P 1 | 2 | Tetramethoxy-4,4'-(2,3-dimethyltetramethylene)dipyrocatechol | - C22 H30 O4 - | - C22 H30 O4 - | - C44 H60 O8 - | 2 | 1 | MU1334 | Hoong-Kun Fun; Kandasamy Chinnakali; Kandasamy Sivakumar; Teng-Wah Sam; Siew-Eng How | Bis(3,4-dimethoxybenzyl) Ether and Tetramethoxy-4,4'-(2,3-dimethyltetramethylene)dipyrocatechol | Acta Crystallographica Section C | 1,997 | 53 | 12 | 1857 | 1859 | 10.1107/S0108270197009761 | 0.71073 | MoKα | 0.0698 | 0.0432 | null | 0.1263 | 0.1158 | null | null | null | 0.949 | 1.117 | 1.117 | null | null | null | has coordinates | Hoong-Kun Fun; Kandasamy Chinnakali; Kandasamy Sivakumar; Teng-Wah Sam; Siew-Eng How
Bis(3,4-dimethoxybenzyl) Ether and Tetramethoxy-4,4'-(2,3-dimethyltetramethylene)dipyrocatechol
Acta Crystallographica Section C
53(12)
(1997)
1857-1859 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/68/2006858.cif $
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2,006,859 | 5.191 | 0.004 | 11.627 | 0.006 | 12.998 | 0.007 | 75.8 | 0.04 | 79.33 | 0.06 | 88.49 | 0.06 | 747.2 | 0.8 | 298 | 2 | 298 | 2 | null | null | null | null | 4 | P -1 | -P 1 | 2 | - C14 H15 N O8 - | - C14 H15 N O8 - | - C28 H30 N2 O16 - | 2 | 1 | MU1340 | Blake, Alexander J.; McNab, Hamish; Parsons, Simon; Withell, Kirsti | An Extended Imide Containing Two Methylene Meldrum's Acid Units | Acta Crystallographica Section C | 1,997 | 53 | 12 | 1956 | 1958 | 10.1107/S0108270197009773 | 0.71073 | MoKα | 0.2159 | 0.0645 | null | 0.1127 | 0.0753 | null | null | null | 0.98 | 1.205 | 1.205 | null | null | null | has coordinates | Blake, Alexander J.; McNab, Hamish; Parsons, Simon; Withell, Kirsti
An Extended Imide Containing Two Methylene Meldrum's Acid Units
Acta Crystallographica Section C
53(12)
(1997)
1956-1958 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/68/2006859.cif $
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2,006,860 | 14.5643 | 0.0011 | 7.1338 | 0.0011 | 21.231 | 0.002 | 90 | null | 105.021 | 0.008 | 90 | null | 2,130.5 | 0.4 | 291 | 2 | 291 | 2 | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | Dichloro-tetrakis{(2-pyridyl)pyrazine}copper(II) complex, C~24~H~16~N~6~Cl~2~Cu | - C24 H16 Cl2 Cu N6 - | - C24 H16 Cl2 Cu N6 - | - C96 H64 Cl8 Cu4 N24 - | 4 | 1 | MU1342 | Kožíšek, Jozef; Jaromír Marek; Zuzana Baloghová; Dušan Valigura | Dichloro[2,3,5,6-tetra(2-pyridyl)pyrazine]copper(II), [CuCl~2~(C~24~H~16~N~6~)] | Acta Crystallographica Section C | 1,997 | 53 | 12 | 1813 | 1815 | 10.1107/S0108270197011396 | 0.71073 | MoKα | 0.041 | 0.033 | null | 0.093 | 0.09 | null | null | null | 1.084 | 1.132 | 1.132 | null | null | null | has coordinates | Kožíšek, Jozef; Jaromír Marek; Zuzana Baloghová; Dušan Valigura
Dichloro[2,3,5,6-tetra(2-pyridyl)pyrazine]copper(II), [CuCl~2~(C~24~H~16~N~6~)]
Acta Crystallographica Section C
53(12)
(1997)
1813-1815 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/68/2006860.cif $
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2,230,124 | 11.3591 | 0.0002 | 11.3591 | 0.0002 | 14.5172 | 0.0004 | 90 | null | 90 | null | 120 | null | 1,622.19 | 0.06 | 296 | 2 | 296 | 2 | null | null | null | null | 6 | R 3 :H | R 3 | 146 | Tris(allylthiourea-κ<i>S</i>)bromidozinc(II) bromide | - C12 H24 Br2 N6 S3 Zn - | - C12 H24 Br2 N6 S3 Zn - | - C36 H72 Br6 N18 S9 Zn3 - | 3 | 0.333333 | RN2081 | Sun, Hai-Qing; Wang, Xin-Qiang; Jin, Tao | Tris(allylthiourea-κ<i>S</i>)bromidozinc(II) bromide | Acta Crystallographica Section E | 2,011 | 67 | 5 | m543 | 10.1107/S1600536811011809 | 0.71073 | MoKα | 0.02 | 0.0189 | null | null | 0.0441 | 0.0445 | null | null | null | null | null | 0.954 | null | null | has coordinates,has Fobs | Sun, Hai-Qing; Wang, Xin-Qiang; Jin, Tao
Tris(allylthiourea-κ<i>S</i>)bromidozinc(II) bromide
Acta Crystallographica Section E
67(5)
(2011)
m543 | 176,798 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-21 02:03:34 +0200 (Sun, 21 Feb 2016) $
#$Revision: 176798 $
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2,006,861 | 13.48 | 0.002 | 11.459 | 0.003 | 15.89 | 0.003 | 90 | null | 90.37 | 0.02 | 90 | null | 2,454.4 | 0.9 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P 1 21 1 | P 2yb | 4 | N-(2'-S-hydroxypropyl)-N,N'-bis(3,5-dichlorobenzoyl)-1R,2R-diami- nocyclohexane | - C23 H24 Cl4 N2 O3 - | - C23 H24 Cl4 N2 O3 - | - C92 H96 Cl16 N8 O12 - | 4 | 2 | NA1272 | Cirilli, Roberto; Gaparrini, Francesco; Villani, Claudio; Gavuzzo, Enrico; Cirilli, Maurizio | The Chiral Selector <i>N</i>-(2'-<i>S</i>-Hydroxypropyl)-<i>N</i>,<i>N</i>'-bis(3,5-dichlorobenzoyl)-1<i>R</i>,2<i>R</i>-diaminocyclohexane | Acta Crystallographica Section C | 1,997 | 53 | 12 | 1937 | 1939 | 10.1107/S0108270197008068 | 1.5458 | CuKα | 0.1415 | 0.088 | null | 0.3335 | 0.2162 | null | null | null | 1.15 | 1.066 | 1.066 | null | null | null | has coordinates | Cirilli, Roberto; Gaparrini, Francesco; Villani, Claudio; Gavuzzo, Enrico; Cirilli, Maurizio
The Chiral Selector <i>N</i>-(2'-<i>S</i>-Hydroxypropyl)-<i>N</i>,<i>N</i>'-bis(3,5-dichlorobenzoyl)-1<i>R</i>,2<i>R</i>-diaminocyclohexane
Acta Crystallographica Section C
53(12)
(1997)
1937-1939 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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2,006,862 | 11.0244 | 0.001 | 7.5621 | 0.001 | 19.9172 | 0.001 | 90 | null | 91.407 | 0.004 | 90 | null | 1,659.9 | 0.3 | 295 | null | null | null | null | null | null | null | 3 | P 1 21/n 1 | -P 2yn | 14 | - C20 H16 O6 - | - C20 H16 O6 - | - C80 H64 O24 - | 4 | 1 | NA1299 | Özbey, Süheyla; Kendi, Engin; Göker, Hakan; Ertan, Rahmiye | 2-(2-Ethoxycarbonyl-1,4-benzodioxan-7-yl)-4<i>H</i>-1-benzopyran-4-one | Acta Crystallographica Section C | 1,997 | 53 | 12 | 1981 | 1983 | 10.1107/S0108270197009864 | 0.71073 | MoKα | null | 0.053 | null | null | 0.05 | null | null | null | null | 0.8 | 0.8 | null | null | null | has coordinates | Özbey, Süheyla; Kendi, Engin; Göker, Hakan; Ertan, Rahmiye
2-(2-Ethoxycarbonyl-1,4-benzodioxan-7-yl)-4<i>H</i>-1-benzopyran-4-one
Acta Crystallographica Section C
53(12)
(1997)
1981-1983 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,006,863 | 6.0144 | 0.0006 | 13.8744 | 0.0008 | 27.517 | 0.002 | 90 | null | 90 | null | 90 | null | 2,296.2 | 0.3 | 293 | null | null | null | null | null | null | null | 6 | P 21 21 21 | P 2ac 2ab | 19 | (-) Diphenyl (R)-1-[(S)-isoleucyl]pyrrolidine-2-phosphonate hydrochloride | - C22 H30 Cl N2 O4 P - | - C22 H30 Cl N2 O4 P - | - C88 H120 Cl4 N8 O16 P4 - | 4 | 1 | NA1308 | Norbert M. Blaton; Oswald M. Peeters; Camiel J. De Ranter | Diphenyl ({-})-(<i>R</i>)-1-[(<i>S</i>)-Isoleucyl]pyrrolidine-2-phosphonate Hydrochloride | Acta Crystallographica Section C | 1,997 | 53 | 12 | 1952 | 1954 | 10.1107/S0108270197008524 | 1.54184 | CuKα | 0.0353 | 0.0325 | null | 0.084 | null | 0.084 | null | null | 1.069 | null | null | 1.069 | null | null | has coordinates | Norbert M. Blaton; Oswald M. Peeters; Camiel J. De Ranter
Diphenyl ({-})-(<i>R</i>)-1-[(<i>S</i>)-Isoleucyl]pyrrolidine-2-phosphonate Hydrochloride
Acta Crystallographica Section C
53(12)
(1997)
1952-1954 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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2,006,864 | 14.02 | 0.002 | 14.02 | 0.002 | 33.005 | 0.005 | 90 | null | 90 | null | 120 | null | 5,618.3 | 1.4 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | R -3 :H | -R 3 | 148 | tris[1-(2-phenyl-2-oxoethyl)pyridone-2] hydroxonium tetrafluoroborate complex | - C39 H36 B F4 N3 O7 - | - C39 H36 B F4 N3 O7 - | - C234 H216 B6 F24 N18 O42 - | 6 | 0.333333 | NA1311 | Zhukov, S. G.; Rybakov, V. B.; Babaev, E. V.; Paseshnichenko, K. A.; Schenk, H. | Tris(1-phenacyl-2-pyridone) Hydroxonium Tetrafluoroborate, a Hydrogen-Bonded Complex | Acta Crystallographica Section C | 1,997 | 53 | 12 | 1909 | 1911 | 10.1107/S010827019701024X | 0.70926 | MoKα | 0.126 | 0.053 | null | 0.13 | 0.102 | null | null | null | 1.027 | 1.199 | 1.199 | null | null | null | has coordinates | Zhukov, S. G.; Rybakov, V. B.; Babaev, E. V.; Paseshnichenko, K. A.; Schenk, H.
Tris(1-phenacyl-2-pyridone) Hydroxonium Tetrafluoroborate, a Hydrogen-Bonded Complex
Acta Crystallographica Section C
53(12)
(1997)
1909-1911 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
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2,006,865 | 7.287 | 0.003 | 13.779 | 0.004 | 7.415 | 0.005 | 90 | null | 99.55 | 0.1 | 90 | null | 734.2 | 0.7 | 200 | 2 | 200 | 2 | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | bis(2-aminopyrimidine) tetrabromo-copper(ii) | - C8 H12 Br4 Cu N6 - | - C8 H12 Br4 Cu N6 - | - C16 H24 Br8 Cu2 N12 - | 2 | 0.5 | NA1316 | Raúl Corzo-Suárez; Santiago García-Granda; Isabel Díaz; Vicente Fernández-Herrero; Jose Luis Martínez | Redetermination of Bis(2-aminopyrimidinium) Tetrabromocopper(II) at 200 and 100K | Acta Crystallographica Section C | 1,997 | 53 | 12 | 1786 | 1789 | 10.1107/S0108270197009876 | 0.71073 | MoKα | 0.1806 | 0.0497 | null | null | null | 0.1544 | null | null | null | null | null | 0.995 | null | null | has coordinates,has Fobs | Raúl Corzo-Suárez; Santiago García-Granda; Isabel Díaz; Vicente Fernández-Herrero; Jose Luis Martínez
Redetermination of Bis(2-aminopyrimidinium) Tetrabromocopper(II) at 200 and 100K
Acta Crystallographica Section C
53(12)
(1997)
1786-1789 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/68/2006865.cif $
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2,006,866 | 7.259 | 0.002 | 13.757 | 0.004 | 7.377 | 0.003 | 90 | null | 99.87 | 0.03 | 90 | null | 725.8 | 0.4 | 100 | 2 | 100 | 2 | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | bis(2-aminopyrimidine) tetrabromo-copper(ii) | - C8 H12 Br4 Cu N6 - | - C8 H12 Br4 Cu N6 - | - C16 H24 Br8 Cu2 N12 - | 2 | 0.5 | NA1316 | Raúl Corzo-Suárez; Santiago García-Granda; Isabel Díaz; Vicente Fernández-Herrero; Jose Luis Martínez | Redetermination of Bis(2-aminopyrimidinium) Tetrabromocopper(II) at 200 and 100K | Acta Crystallographica Section C | 1,997 | 53 | 12 | 1786 | 1789 | 10.1107/S0108270197009876 | 0.71073 | MoKα | 0.13 | 0.0424 | null | null | null | 0.1128 | null | null | null | null | null | 1.004 | null | null | has coordinates,has Fobs | Raúl Corzo-Suárez; Santiago García-Granda; Isabel Díaz; Vicente Fernández-Herrero; Jose Luis Martínez
Redetermination of Bis(2-aminopyrimidinium) Tetrabromocopper(II) at 200 and 100K
Acta Crystallographica Section C
53(12)
(1997)
1786-1789 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/68/2006866.cif $
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2,230,123 | 12.3268 | 0.0006 | 11.0271 | 0.0006 | 13.1142 | 0.0007 | 90 | null | 106.933 | 0.001 | 90 | null | 1,705.32 | 0.15 | 120 | 2 | 120 | 2 | null | null | null | null | 3 | P 1 21 1 | P 2yb | 4 | (2<i>E</i>,25<i>E</i>)-11,14,17,33,36,39,42- Heptaoxapentacyclo[41.4.0.0^5,10^.0^18,23^.0^27,32^]heptatetraconta- 1(43),2,5(10),6,8,18,20,22,25,27,29,31,44,46-tetradecaene-4,24-dione | - C40 H40 O9 - | - C40 H40 O9 - | - C80 H80 O18 - | 2 | 1 | RK2273 | Anh, Le Tuan; Hieu, Truong Hong; Soldatenkov, Anatoly T.; Soldatova, Svetlana A.; Khrustalev, Victor N. | (2<i>E</i>,25<i>E</i>)-11,14,17,33,36,39,42-Heptaoxapentacyclo[41.4.0.0^5,10^.0^18,23^.0^27,32^]heptatetraconta-1(43),2,5(10),6,8,18,20,22,25,27,29,31,44,46-tetradecaene-4,24-dione | Acta Crystallographica Section E | 2,011 | 67 | 5 | o1128 | o1129 | 10.1107/S1600536811013201 | 0.71073 | MoKα | 0.0601 | 0.0508 | null | null | 0.12 | 0.1278 | null | null | null | null | null | 1.006 | null | null | has coordinates,has Fobs | Anh, Le Tuan; Hieu, Truong Hong; Soldatenkov, Anatoly T.; Soldatova, Svetlana A.; Khrustalev, Victor N.
(2<i>E</i>,25<i>E</i>)-11,14,17,33,36,39,42-Heptaoxapentacyclo[41.4.0.0^5,10^.0^18,23^.0^27,32^]heptatetraconta-1(43),2,5(10),6,8,18,20,22,25,27,29,31,44,46-tetradecaene-4,24-dione
Acta Crystallographica Section E
67... | 301,806 | 2025-08-19 | 15:27:02 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 17:49:58 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301806 $
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2,006,867 | 9.075 | 0.001 | 11.282 | 0.002 | 9.191 | 0.001 | 90 | null | 108.37 | null | 90 | null | 893.1 | 0.2 | 295 | null | null | null | null | null | null | null | 7 | P 1 21 1 | P 2yb | 4 | (2–aminoethanesulfonato–N,O)bis(ethylenediamine)–Cobalt(III) perchlorate | - C6 H22 Cl2 Co N5 O11 S - | - C6 H22 Cl2 Co N5 O11 S - | - C12 H44 Cl4 Co2 N10 O22 S2 - | 2 | 1 | OA1028 | Murata, Mayumi; Masaaki Kojima; Masakazu Kita; Setsuo Kashino; Yuzo Yoshikawa | A Stable Sulfonato–Cobalt(III) Complex: Δ-[Co{OS(O)~2~CH~2~CH~2~NH~2~-<i>N</i>,<i>O</i>}(en)~2~](ClO~4~)~2~ | Acta Crystallographica Section C | 1,997 | 53 | 12 | 1761 | 1762 | 10.1107/S0108270197010032 | 0.71073 | MoKα | null | 0.029 | null | null | 0.028 | null | null | null | null | 1.51 | 1.51 | null | null | null | has coordinates | Murata, Mayumi; Masaaki Kojima; Masakazu Kita; Setsuo Kashino; Yuzo Yoshikawa
A Stable Sulfonato–Cobalt(III) Complex: Δ-[Co{OS(O)~2~CH~2~CH~2~NH~2~-<i>N</i>,<i>O</i>}(en)~2~](ClO~4~)~2~
Acta Crystallographica Section C
53(12)
(1997)
1761-1762 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/68/2006867.cif $
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2,006,868 | 11.8479 | 0.0001 | 9.4494 | 0.0002 | 17.8596 | 0.0003 | 90 | null | 108.384 | 0.001 | 90 | null | 1,897.44 | 0.05 | 193 | 2 | 193 | 2 | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | - C18 H20 N O6 P - | - C18 H20 N O6 P - | - C72 H80 N4 O24 P4 - | 4 | 1 | PT1044 | Boehlow, Todd; De la Cruz, Antonette; Rath, Nigam P.; Spilling, Christopher D. | Dimethyl (±)-(1<i>S</i>*,2<i>R</i>*,3<i>S</i>*)-[3-phenyl-1-(<i>N</i>-phenylcarbamoyloxy)-2,3-epoxypropyl]phosphonate | Acta Crystallographica Section C | 1,997 | 53 | 12 | 1947 | 1949 | 10.1107/S0108270197010408 | 0.71073 | MoKα | 0.084 | 0.0554 | null | 0.1286 | 0.1121 | null | null | null | 1.147 | 1.206 | 1.206 | null | null | null | has coordinates | Boehlow, Todd; De la Cruz, Antonette; Rath, Nigam P.; Spilling, Christopher D.
Dimethyl (±)-(1<i>S</i>*,2<i>R</i>*,3<i>S</i>*)-[3-phenyl-1-(<i>N</i>-phenylcarbamoyloxy)-2,3-epoxypropyl]phosphonate
Acta Crystallographica Section C
53(12)
(1997)
1947-1949 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/68/2006868.cif $
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2,006,869 | 6.041 | 0.0001 | 9.9354 | 0.0001 | 18.3966 | 0.0003 | 90 | null | 91.197 | 0.001 | 90 | null | 1,103.92 | 0.03 | 293 | null | 293 | null | null | null | null | null | 4 | P 1 21 1 | P 2yb | 4 | 1-Benzoyl-2,4-diphenyl-5-hydroxy-5-propionyl-3-imidazoline | - C25 H22 N2 O4 - | - C25 H22 N2 O4 - | - C50 H44 N4 O8 - | 2 | 1 | QA0016 | Bolte, Michael | 1-Benzoyl-5-hydroxy-2,4-diphenyl-5-propionyloxy-3-imidazoline | Acta Crystallographica Section C | 1,997 | 53 | 12 | IUC9700027 | 10.1107/S0108270197099290 | 0.71073 | MoKα | 0.0542 | 0.0442 | null | 0.1092 | 0.1039 | null | null | null | 1.115 | 1.148 | 1.148 | null | null | null | has coordinates,has Fobs | Bolte, Michael
1-Benzoyl-5-hydroxy-2,4-diphenyl-5-propionyloxy-3-imidazoline
Acta Crystallographica Section C
53(12)
(1997)
IUC9700027 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/68/2006869.cif $
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2,006,870 | 5.9054 | 0.0008 | 9.2686 | 0.0007 | 15.946 | 0.002 | 90 | null | 97.138 | 0.006 | 90 | null | 866.04 | 0.17 | 143 | null | 143 | null | null | null | null | null | 4 | P 1 21 1 | P 2yb | 4 | (+)-(2S,3S,4S,5S)-(N-t-Butyloxycarbonyl)-2-benzyl-4,5-dimethyl- 3-hydroxy-pyrrolidine | - C18 H27 N O3 - | - C18 H27 N O3 - | - C36 H54 N2 O6 - | 2 | 1 | QA0017 | Bolte, Michael | (+)-(2<i>S</i>,3<i>S</i>,4<i>S</i>,5<i>S</i>)-2-Benzyl-<i>N</i>-(<i>tert</i>-butyloxycarbonyl)-3-hydroxy-4,5-dimethylpyrrolidine at 143K | Acta Crystallographica Section C | 1,997 | 53 | 12 | IUC9700028 | 10.1107/S0108270197099289 | 0.71073 | MoKα | 0.0369 | 0.0362 | null | 0.0975 | 0.097 | null | null | null | 1.052 | 1.06 | 1.06 | null | null | null | has coordinates,has Fobs | Bolte, Michael
(+)-(2<i>S</i>,3<i>S</i>,4<i>S</i>,5<i>S</i>)-2-Benzyl-<i>N</i>-(<i>tert</i>-butyloxycarbonyl)-3-hydroxy-4,5-dimethylpyrrolidine at 143K
Acta Crystallographica Section C
53(12)
(1997)
IUC9700028 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,230,122 | 10.844 | 0.005 | 18.594 | 0.009 | 9.602 | 0.005 | 90 | null | 102.76 | 0.006 | 90 | null | 1,888.3 | 1.6 | 296 | 2 | 296 | 2 | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | 3,4-Bis(4-bromophenyl)-<i>N</i>-phenylmaleimide | 3,4-bis(4-bromophenyl)-1-phenyl-2,5-dihydro-1H-pyrrole-2,5-dione | - C22 H13 Br2 N O2 - | - C22 H13 Br2 N O2 - | - C88 H52 Br8 N4 O8 - | 4 | 1 | RK2272 | Liu, Yong; Zheng, Shuai; Zhou, Jing; Gao, Dongmei; Du, Zhen-Ting | 3,4-Bis(4-bromophenyl)-<i>N</i>-phenylmaleimide | Acta Crystallographica Section E | 2,011 | 67 | 5 | o1198 | 10.1107/S1600536811014152 | 0.71073 | MoKα | 0.1744 | 0.0504 | null | null | 0.0988 | 0.1333 | null | null | null | null | null | 0.942 | null | null | has coordinates,has Fobs | Liu, Yong; Zheng, Shuai; Zhou, Jing; Gao, Dongmei; Du, Zhen-Ting
3,4-Bis(4-bromophenyl)-<i>N</i>-phenylmaleimide
Acta Crystallographica Section E
67(5)
(2011)
o1198 | 301,806 | 2025-08-19 | 15:27:02 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 17:49:58 +0300 (Tue, 19 Aug 2025) $
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2,006,871 | 11.1376 | 0.0004 | 11.3443 | 0.0004 | 13.2368 | 0.0004 | 90 | null | 109.884 | 0.001 | 90 | null | 1,572.74 | 0.09 | 140 | null | 140 | null | null | null | null | null | 5 | P 1 21 1 | P 2yb | 4 | S~S~-N(1S),2S,3R,4R,5R-N-[(1-Hydroxymethyl)-2-(methylpropyl)]-3- hydroxy-4-methyl-5-(4-methylphenylsulfonimidoylmethyl)-1-(4- methylphenylsulfonyl)-2-(phenylmethyl)-pyrrolidine | - C32 H42 N2 O5 S2 - | - C32 H42 N2 O5 S2 - | - C64 H84 N4 O10 S4 - | 2 | 1 | QA0019 | Bolte, Michael | (2<i>S</i>,3<i>R</i>,4<i>R</i>,5<i>R</i>,S<i>S</i>)-2-Benzyl-3-hydroxy-5-{<i>N</i>-[(<i>S</i>)-1-hydroxy-3-methylbut-2-yl]-4-methylphenylsulfonimidoylmethyl}-4-methyl-1-(4-methylphenylsulfonyl)pyrrolidine at 140K | Acta Crystallographica Section C | 1,997 | 53 | 12 | IUC9700029 | 10.1107/S0108270197099277 | 0.71073 | MoKα | 0.0652 | 0.0437 | null | 0.095 | 0.0849 | null | null | null | 1.055 | 1.051 | 1.051 | null | null | null | has coordinates,has Fobs | Bolte, Michael
(2<i>S</i>,3<i>R</i>,4<i>R</i>,5<i>R</i>,S<i>S</i>)-2-Benzyl-3-hydroxy-5-{<i>N</i>-[(<i>S</i>)-1-hydroxy-3-methylbut-2-yl]-4-methylphenylsulfonimidoylmethyl}-4-methyl-1-(4-methylphenylsulfonyl)pyrrolidine at 140K
Acta Crystallographica Section C
53(12)
(1997)
IUC9700029 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/68/2006871.cif $
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2,006,872 | 18.088 | 0.004 | 11.17 | 0.002 | 12.895 | 0.002 | 90 | null | 119.93 | 0.01 | 90 | null | 2,257.9 | 0.8 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | C 1 2/c 1 | -C 2yc | 15 | 4-Bromomethyl-7,8-benzocoumarin | - C14 H9 Br O2 - | - C14 H9 Br O2 - | - C112 H72 Br8 O16 - | 8 | 1 | QA0024 | Kandasamy Chinnakali; Hoong-Kun Fun; Ibrahim Abdul Razak; Kamaraj Sriraghavan; Vaylakkavoor T. Ramakrishnan | 4-Bromomethyl-7,8-benzocoumarin | Acta Crystallographica Section C | 1,997 | 53 | 12 | IUC9700030 | 10.1107/S0108270197099265 | 0.71073 | MoKα | 0.0844 | 0.0456 | null | 0.1284 | 0.1171 | null | null | null | 0.904 | 1.089 | 1.089 | null | null | null | has coordinates | Kandasamy Chinnakali; Hoong-Kun Fun; Ibrahim Abdul Razak; Kamaraj Sriraghavan; Vaylakkavoor T. Ramakrishnan
4-Bromomethyl-7,8-benzocoumarin
Acta Crystallographica Section C
53(12)
(1997)
IUC9700030 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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2,006,873 | 8.387 | 0.001 | 10.78 | 0.001 | 7.206 | 0.001 | 103.4 | 0.01 | 109.24 | 0.01 | 79.12 | 0.01 | 593.88 | 0.13 | 298 | null | null | null | null | null | null | null | 3 | P -1 | -P 1 | 2 | Bis(2-methylbenzylcyanide) Tetracyanobenzene | - C28 H20 N6 - | - C28 H20 N6 - | - C28 H20 N6 - | 1 | 0.5 | QA0026 | Hosomi, Hiroyuki; Ohba, Shigeru; Ito, Yoshikatsu; Nakabayashi, Hironari | Bis(2-methylbenzyl cyanide) Tetracyanobenzene | Acta Crystallographica Section C | 1,997 | 53 | 12 | IUC9700031 | 10.1107/S0108270197099253 | 0.71073 | MoKα | null | 0.057 | null | null | 0.063 | null | null | null | null | 1.12 | 1.12 | null | null | null | has coordinates | Hosomi, Hiroyuki; Ohba, Shigeru; Ito, Yoshikatsu; Nakabayashi, Hironari
Bis(2-methylbenzyl cyanide) Tetracyanobenzene
Acta Crystallographica Section C
53(12)
(1997)
IUC9700031 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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2,006,874 | 6.814 | 0.001 | 9.497 | 0.002 | 16.374 | 0.002 | 90 | null | 90 | null | 90 | null | 1,059.6 | 0.3 | 296.2 | null | 296.2 | null | null | null | null | null | 5 | P b c a | -P 2ac 2ab | 61 | Sodium bis(malonato)cuprate(II) dihydrate | - C6 H8 Cu Na2 O10 - | - C6 H8 Cu Na2 O10 - | - C24 H32 Cu4 Na8 O40 - | 4 | 0.5 | QB0022 | Barnes, John C.; Weakley, Timothy J.R. | Disodium Bis(malonato)cuprate(II) Dihydrate | Acta Crystallographica Section C | 1,997 | 53 | 12 | IUC9700026 | 10.1107/S0108270197099307 | 0.71073 | MoKα | 0.0747 | 0.0476 | null | null | null | 0.1425 | null | null | null | null | null | 1.148 | null | null | has coordinates | Barnes, John C.; Weakley, Timothy J.R.
Disodium Bis(malonato)cuprate(II) Dihydrate
Acta Crystallographica Section C
53(12)
(1997)
IUC9700026 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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2,006,875 | 10.799 | 0.0016 | 12.6741 | 0.0012 | 16.3797 | 0.0013 | 90 | null | 91.303 | 0.01 | 90 | null | 2,241.3 | 0.4 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | 7-(4-Nitrophenyl)-7-azabicyclo[4.1.0]heptane | - C12 H14 N2 O2 - | - C12 H14 N2 O2 - | - C96 H112 N16 O16 - | 8 | 2 | QB0027 | Kandasamy Chinnakali; Hoong-Kun Fun; Kamaraj Sriraghavan; Vaylakkavoor T.Ramakrishnan | 7-(4-Nitrophenyl)-7-azabicyclo[4.1.0]heptane | Acta Crystallographica Section C | 1,997 | 53 | 12 | IUC9700032 | 10.1107/S0108270197099241 | 0.71073 | MoKα | 0.1345 | 0.0453 | null | 0.1264 | 0.1007 | null | null | null | 0.818 | 1.077 | 1.077 | null | null | null | has coordinates,has disorder | Kandasamy Chinnakali; Hoong-Kun Fun; Kamaraj Sriraghavan; Vaylakkavoor T.Ramakrishnan
7-(4-Nitrophenyl)-7-azabicyclo[4.1.0]heptane
Acta Crystallographica Section C
53(12)
(1997)
IUC9700032 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,006,876 | 9.3718 | 0.0014 | 17.085 | 0.003 | 14.351 | 0.002 | 90 | null | 95.121 | 0.004 | 90 | null | 2,288.7 | 0.6 | 160 | 2 | 160 | 2 | null | null | null | null | 6 | P 1 21/c 1 | -P 2ybc | 14 | (2,4,6,9,11-pentamethyl-5,8-diazadodeca-4,8-diene-2,11- diamine)nickel(II) tetrachlorozincate | - C15 H32 Cl4 N4 Ni Zn - | - C15 H32 Cl4 N4 Ni Zn - | - C60 H128 Cl16 N16 Ni4 Zn4 - | 4 | 1 | SK1009 | Gladkikh, Olga P.; Curtis, Neil F.; Heath, Sarah L. | A Nickel(II) Compound with a Tetradentate Diamine‒Diimine Ligand, (2,4,6,9,11-Pentamethyl-5,8-diazadodeca-4,8-diene-2,11-diamine)nickel(II) Tetrachlorozincate | Acta Crystallographica Section C | 1,997 | 53 | 12 | 1770 | 1772 | 10.1107/S0108270197009840 | 0.71073 | MoKα | 0.0821 | 0.0473 | null | 0.1088 | 0.0918 | null | null | null | 1.082 | 1.091 | 1.091 | null | null | null | has coordinates | Gladkikh, Olga P.; Curtis, Neil F.; Heath, Sarah L.
A Nickel(II) Compound with a Tetradentate Diamine‒Diimine Ligand, (2,4,6,9,11-Pentamethyl-5,8-diazadodeca-4,8-diene-2,11-diamine)nickel(II) Tetrachlorozincate
Acta Crystallographica Section C
53(12)
(1997)
1770-1772 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/68/2006876.cif $
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2,018,075 | 9.8072 | 0.0005 | 17.1235 | 0.0009 | 14.6837 | 0.0006 | 90 | null | 129.866 | 0.002 | 90 | null | 1,892.68 | 0.17 | 290 | 2 | 290 | 2 | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | poly[(μ~5~-benzene-1,4-diacetato)[μ~2~-1,4-bis(1,2,4-triazol- 1-yl)butane]cadmium(II)] | - C18 H20 Cd N6 O4 - | - C18 H20 Cd N6 O4 - | - C72 H80 Cd4 N24 O16 - | 4 | 1 | QS3003 | Wang, Jun; Xu, Xiao-Juan; Tao, Jian-Qing | A novel two-dimensional (4,4) network based on dinuclear cadmium secondary building units: poly[(μ~5~-benzene-1,4-diacetato)[μ~2~-1,4-bis(1,2,4-triazol-1-yl)butane]cadmium(II)] | Acta Crystallographica Section C | 2,011 | 67 | 5 | m137 | m139 | 10.1107/S0108270111011413 | 0.71073 | MoKα | 0.0283 | 0.0235 | null | null | 0.0581 | 0.0604 | null | null | null | null | null | 0.9 | null | null | has coordinates | Wang, Jun; Xu, Xiao-Juan; Tao, Jian-Qing
A novel two-dimensional (4,4) network based on dinuclear cadmium secondary building units: poly[(μ~5~-benzene-1,4-diacetato)[μ~2~-1,4-bis(1,2,4-triazol-1-yl)butane]cadmium(II)]
Acta Crystallographica Section C
67(5)
(2011)
m137-m139 | 288,505 | 2023-12-22 | 15:12:01 | #------------------------------------------------------------------------------
#$Date: 2023-12-22 17:07:40 +0200 (Fri, 22 Dec 2023) $
#$Revision: 288505 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/80/2018075.cif $
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2,006,877 | 17.659 | 0.003 | 8.477 | 0.002 | 17.763 | 0.003 | 90 | null | 114.1 | 0.01 | 90 | null | 2,427.3 | 0.8 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | C 1 2/c 1 | -C 2yc | 15 | octacarbonyl-μ-chloro-μ-dicyclohexylphosphido-dimanganese | - C20 H22 Cl Mn2 O8 P - | - C20 H22 Cl Mn2 O8 P - | - C80 H88 Cl4 Mn8 O32 P4 - | 4 | 0.5 | SK1124 | Flörke, Ulrich; Haupt, Hans-Jürgen | Octacarbonyl-μ-chloro-μ-dicyclohexylphosphido-dimanganese | Acta Crystallographica Section C | 1,997 | 53 | 12 | 1799 | 1801 | 10.1107/S0108270197010354 | 0.71073 | MoKα | 0.084 | 0.048 | null | 0.122 | null | 0.104 | null | null | 1.028 | null | null | 1.103 | null | null | has coordinates | Flörke, Ulrich; Haupt, Hans-Jürgen
Octacarbonyl-μ-chloro-μ-dicyclohexylphosphido-dimanganese
Acta Crystallographica Section C
53(12)
(1997)
1799-1801 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
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2,006,878 | 13.3551 | 0.0019 | 12.4868 | 0.0008 | 14.7273 | 0.0015 | 90 | null | 112.604 | 0.01 | 90 | null | 2,267.3 | 0.5 | 294 | 1 | 294 | 1 | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | (1'-Benzoylferrocenyl)diphenylmethanol | - C30 H24 Fe O2 - | - C30 H24 Fe O2 - | - C120 H96 Fe4 O8 - | 4 | 1 | SK1147 | Glidewell, Christopher; Ahmed, S. Zaka; Gallagher, John F.; Ferguson, George | (1'-Benzoylferrocenyl)diphenylmethanol; a Centrosymmetric ^4^~4~(16) Dimer Generated by C—H···O Hydrogen Bonding | Acta Crystallographica Section C | 1,997 | 53 | 12 | 1775 | 1778 | 10.1107/S010827019701233X | 0.7107 | MolybdenumKα | 0.1037 | 0.0401 | null | null | 0.0868 | 0.0969 | null | null | null | null | null | 0.97 | null | null | has coordinates | Glidewell, Christopher; Ahmed, S. Zaka; Gallagher, John F.; Ferguson, George
(1'-Benzoylferrocenyl)diphenylmethanol; a Centrosymmetric ^4^~4~(16) Dimer Generated by C—H···O Hydrogen Bonding
Acta Crystallographica Section C
53(12)
(1997)
1775-1778 | 192,302 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2017-02-19 20:54:26 +0200 (Sun, 19 Feb 2017) $
#$Revision: 192302 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/68/2006878.cif $
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2,006,879 | 6.2616 | 0.0008 | 25.1866 | 0.0015 | 11.603 | 0.0009 | 90 | null | 90.06 | 0.008 | 90 | null | 1,829.9 | 0.3 | 294 | 1 | 294 | 1 | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | 1,1'-Dibenzoylferrocene | - C24 H18 Fe O2 - | - C24 H18 Fe O2 - | - C96 H72 Fe4 O8 - | 4 | 1 | SK1150 | Gallagher, John F.; Ferguson, George; Ahmed, S. Zaka; Glidewell, Christopher; Lewis, Arwel | Accurate Redeterminations of 1,1'-Dibenzoylferrocene and (4-Nitrophenyl)ferrocene | Acta Crystallographica Section C | 1,997 | 53 | 12 | 1772 | 1775 | 10.1107/S0108270197012602 | 0.7107 | MolybdenumKα | 0.1026 | 0.0402 | null | null | null | 0.0876 | null | null | null | null | null | 0.996 | null | null | has coordinates | Gallagher, John F.; Ferguson, George; Ahmed, S. Zaka; Glidewell, Christopher; Lewis, Arwel
Accurate Redeterminations of 1,1'-Dibenzoylferrocene and (4-Nitrophenyl)ferrocene
Acta Crystallographica Section C
53(12)
(1997)
1772-1775 | 192,301 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2017-02-19 20:52:09 +0200 (Sun, 19 Feb 2017) $
#$Revision: 192301 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/68/2006879.cif $
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2,006,880 | 9.6988 | 0.0011 | 9.3056 | 0.0015 | 14.543 | 0.002 | 90 | null | 93.311 | 0.012 | 90 | null | 1,310.4 | 0.3 | 294 | 1 | 294 | 1 | null | null | null | null | 5 | P 1 21/a 1 | -P 2yab | 14 | (4-Nitrophenyl)ferrocene | - C16 H13 Fe N O2 - | - C16 H13 Fe N O2 - | - C64 H52 Fe4 N4 O8 - | 4 | 1 | SK1150 | Gallagher, John F.; Ferguson, George; Ahmed, S. Zaka; Glidewell, Christopher; Lewis, Arwel | Accurate Redeterminations of 1,1'-Dibenzoylferrocene and (4-Nitrophenyl)ferrocene | Acta Crystallographica Section C | 1,997 | 53 | 12 | 1772 | 1775 | 10.1107/S0108270197012602 | 0.7107 | MolybdenumKα | 0.0841 | 0.0403 | null | null | null | 0.1015 | null | null | null | null | null | 1 | null | null | has coordinates | Gallagher, John F.; Ferguson, George; Ahmed, S. Zaka; Glidewell, Christopher; Lewis, Arwel
Accurate Redeterminations of 1,1'-Dibenzoylferrocene and (4-Nitrophenyl)ferrocene
Acta Crystallographica Section C
53(12)
(1997)
1772-1775 | 192,289 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2017-02-19 19:27:37 +0200 (Sun, 19 Feb 2017) $
#$Revision: 192289 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/68/2006880.cif $
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2,018,074 | 11.281 | 0.003 | 6.336 | 0.002 | 16.278 | 0.005 | 90 | null | 102.676 | 0.008 | 90 | null | 1,135.1 | 0.6 | 298 | 1 | 298 | 1 | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | ferric sulfate trihydrate | diiron(III) trisulfate trihydrate | - Fe2 H6 O15 S3 - | - Fe2 H6 O15 S3 - | - Fe8 H24 O60 S12 - | 4 | 1 | QS3002 | Xu, Wenqian; Parise, John B. | Synthetic ferric sulfate trihydrate, Fe~2~(SO~4~)~3~·3H~2~O, a new ferric sulfate salt | Acta Crystallographica Section C | 2,011 | 67 | 5 | i30 | i32 | 10.1107/S0108270111012273 | 0.71073 | MoKα | 0.0356 | 0.0278 | null | null | 0.0798 | 0.0842 | null | null | null | null | null | 1.047 | null | null | has coordinates,has Fobs | Xu, Wenqian; Parise, John B.
Synthetic ferric sulfate trihydrate, Fe~2~(SO~4~)~3~·3H~2~O, a new ferric sulfate salt
Acta Crystallographica Section C
67(5)
(2011)
i30-i32 | 288,505 | 2023-12-22 | 15:12:01 | #------------------------------------------------------------------------------
#$Date: 2023-12-22 17:07:40 +0200 (Fri, 22 Dec 2023) $
#$Revision: 288505 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/80/2018074.cif $
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2,006,881 | 13.628 | 0.002 | 7.618 | 0.001 | 5.11 | 0.001 | 90 | 0.01 | 90 | 0.01 | 90 | 0.01 | 530.51 | 0.15 | 12 | null | 12 | null | null | null | null | null | 4 | P 21 21 21 | P 2ac 2ab | 19 | L-threonine | - C4 H9 N O3 - | - C4 H9 N O3 - | - C16 H36 N4 O12 - | 4 | 1 | SX1034 | Jan Janczak; Dieter Zobel; Peter Luger | <small>L</small>-Threonine at 12 K | Acta Crystallographica Section C | 1,997 | 53 | 12 | 1901 | 1904 | 10.1107/S0108270197011414 | 0.5609 | AgKα_(X-ray_tube) | 0.034 | 0.026 | null | 0.063 | 0.03 | null | null | null | 5.856 | 2.866 | 2.866 | null | null | null | has coordinates | Jan Janczak; Dieter Zobel; Peter Luger
<small>L</small>-Threonine at 12 K
Acta Crystallographica Section C
53(12)
(1997)
1901-1904 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/68/2006881.cif $
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2,006,882 | 10.703 | 0.002 | 10.99 | 0.001 | 17.584 | 0.005 | 90 | null | 90 | null | 90 | null | 2,068.3 | 0.7 | 298 | null | 298 | null | null | null | null | null | 3 | P b c a | -P 2ac 2ab | 61 | cis-anti-cis-tricyclo[6.4.0.0^2.7^]dodecane-3,12-dione | - C12 H16 O2 - | - C12 H16 O2 - | - C96 H128 O16 - | 8 | 1 | SX1038 | Angela Taylor; Edmund J. Eisenbraun; Clinton E. Browne; Elizabeth M. Holt | <i>cis</i>-<i>anti</i>-<i>cis</i>-Tricyclo[6.4.0.0^2,7^]dodecane-3,12-dione and <i>cis</i>-<i>anti</i>-<i>cis</i>-Tricyclo[6.4.0.0^2,7^]dodecane-3,9-dione | Acta Crystallographica Section C | 1,997 | 53 | 12 | 1963 | 1966 | 10.1107/S0108270197011694 | 0.71073 | MoKα | null | 0.059 | null | null | null | 0.1562 | null | null | null | null | null | 0.725 | null | null | has coordinates | Angela Taylor; Edmund J. Eisenbraun; Clinton E. Browne; Elizabeth M. Holt
<i>cis</i>-<i>anti</i>-<i>cis</i>-Tricyclo[6.4.0.0^2,7^]dodecane-3,12-dione and <i>cis</i>-<i>anti</i>-<i>cis</i>-Tricyclo[6.4.0.0^2,7^]dodecane-3,9-dione
Acta Crystallographica Section C
53(12)
(1997)
1963-1966 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/68/2006882.cif $
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2,006,883 | 8.342 | 0.003 | 5.661 | 0.003 | 10.553 | 0.004 | 90 | null | 93.23 | 0.01 | 90 | null | 497.6 | 0.4 | 298 | null | 298 | null | null | null | null | null | 3 | P 1 21/n 1 | -P 2yn | 14 | cis-anti-cis-tricyclo[6.4.0.0^2.7^]dodecane-3,9-dione | - C12 H16 O2 - | - C12 H16 O2 - | - C24 H32 O4 - | 2 | 0.5 | SX1038 | Angela Taylor; Edmund J. Eisenbraun; Clinton E. Browne; Elizabeth M. Holt | <i>cis</i>-<i>anti</i>-<i>cis</i>-Tricyclo[6.4.0.0^2,7^]dodecane-3,12-dione and <i>cis</i>-<i>anti</i>-<i>cis</i>-Tricyclo[6.4.0.0^2,7^]dodecane-3,9-dione | Acta Crystallographica Section C | 1,997 | 53 | 12 | 1963 | 1966 | 10.1107/S0108270197011694 | 0.71073 | MoKα | 0.1063 | 0.0551 | null | null | null | 0.1389 | null | null | null | null | null | 0.891 | null | null | has coordinates | Angela Taylor; Edmund J. Eisenbraun; Clinton E. Browne; Elizabeth M. Holt
<i>cis</i>-<i>anti</i>-<i>cis</i>-Tricyclo[6.4.0.0^2,7^]dodecane-3,12-dione and <i>cis</i>-<i>anti</i>-<i>cis</i>-Tricyclo[6.4.0.0^2,7^]dodecane-3,9-dione
Acta Crystallographica Section C
53(12)
(1997)
1963-1966 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/68/2006883.cif $
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2,006,884 | 13.3179 | 0.0015 | 13.1523 | 0.0013 | 8.6827 | 0.0012 | 90 | null | 100.19 | 0.01 | 90 | null | 1,496.9 | 0.3 | 293 | null | null | null | null | null | null | null | 5 | C 1 2/c 1 | -C 2yc | 15 | Potassium Cobalt Aluminium Phosphate | - Al Co K O8 P2 - | - Al Co K O8 P2 - | - Al8 Co8 K8 O64 P16 - | 8 | 1 | TA1136 | Chen, Xue-An; Zhao, Ling; Li, Yan; Guo, Fang; Chen, Ben-Ming | Potassium Cobalt Aluminium Mixed Phosphate, K(Co^II^,Al)~2~(PO~4~)~2~ | Acta Crystallographica Section C | 1,997 | 53 | 12 | 1754 | 1756 | 10.1107/S0108270197009906 | 0.71073 | MoKα | null | 0.0364 | null | 0.1038 | null | null | null | null | 1.198 | null | null | null | null | null | has coordinates | Chen, Xue-An; Zhao, Ling; Li, Yan; Guo, Fang; Chen, Ben-Ming
Potassium Cobalt Aluminium Mixed Phosphate, K(Co^II^,Al)~2~(PO~4~)~2~
Acta Crystallographica Section C
53(12)
(1997)
1754-1756 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/68/2006884.cif $
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2,006,885 | 5.294 | 0.004 | 8.837 | 0.004 | 16.143 | 0.008 | 90 | null | 90.6 | 0.05 | 90 | null | 755.2 | 0.8 | 293 | null | 293 | null | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | Dibariummagnesium Diphosphate | - Ba8 Mg4 O32 P8 - | - Ba2 Mg O8 P2 - | - Ba8 Mg4 O32 P8 - | 4 | 1 | TA1147 | F. Lucas; G. Wallez; S. Jaulmes; A. Elfakir; M. Quarton | Dibarium Magnesium Phosphate | Acta Crystallographica Section C | 1,997 | 53 | 12 | 1741 | 1743 | 10.1107/S010827019700841X | 0.71069 | MoKα | 0.033 | 0.033 | null | 0.038 | 0.038 | null | null | null | 1.95 | 1.95 | 1.95 | null | null | null | has coordinates | F. Lucas; G. Wallez; S. Jaulmes; A. Elfakir; M. Quarton
Dibarium Magnesium Phosphate
Acta Crystallographica Section C
53(12)
(1997)
1741-1743 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
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2,018,073 | 8.2526 | 0.0003 | 11.9486 | 0.0004 | 32.1865 | 0.001 | 90 | null | 90 | null | 90 | null | 3,173.81 | 0.19 | 293 | 2 | 293 | null | null | null | null | null | 4 | P 21 21 21 | P 2ac 2ab | null | 5-amino-8-(2,3,5-tri-<i>O</i>-benzoyl-β-D-ribofuranosyl)pyrimido[4,5- <i>d</i>]pyrimidine-2,4(3<i>H</i>,8<i>H</i>)-dione methanol monosolvate | - C33 H29 N5 O10 - | - C33 H29 N5 O10 - | - C132 H116 N20 O40 - | 4 | 1 | QS3001 | Pan, Mei-Ying; Wu, Xiao-Hua; Luo, Dai-Bing; Huang, Wen; He, Yang | A novel Janus-type AT nucleoside with benzoyl protecting groups forming a pleated-sheet structure | Acta Crystallographica Section C | 2,011 | 67 | 5 | o175 | o178 | 10.1107/S0108270111011383 | 0.7107 | MoKα | 0.0633 | 0.0384 | null | null | 0.086 | 0.0928 | null | null | null | null | null | 0.912 | null | null | has coordinates,has Fobs | Pan, Mei-Ying; Wu, Xiao-Hua; Luo, Dai-Bing; Huang, Wen; He, Yang
A novel Janus-type AT nucleoside with benzoyl protecting groups forming a pleated-sheet structure
Acta Crystallographica Section C
67(5)
(2011)
o175-o178 | 301,798 | 2025-08-19 | 6:44:11 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
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2,006,886 | 18.965 | 0.002 | 7.522 | 0.002 | 8.794 | 0.001 | 90 | null | 101.13 | 0.01 | 90 | null | 1,230.9 | 0.4 | 296 | null | 296 | null | null | null | null | null | 4 | P 1 21 1 | P 2yb | 4 | - C23 H30 N2 O10 - | - C23 H30 N2 O10 - | - C46 H60 N4 O20 - | 2 | 1 | TA1149 | Kurihara, Hiroyuki; Fujita, Shigeo; Mase, Toshiyasu | ({-})-Formoterol, a Selective β~2~-Adrenoreceptor Agonist | Acta Crystallographica Section C | 1,997 | 53 | 12 | 1887 | 1889 | 10.1107/S0108270197009918 | 1.5418 | CuKα | 0.0843 | 0.0662 | null | 0.0886 | 0.0811 | null | null | null | 1.307 | 1.197 | 1.197 | null | null | null | has coordinates | Kurihara, Hiroyuki; Fujita, Shigeo; Mase, Toshiyasu
({-})-Formoterol, a Selective β~2~-Adrenoreceptor Agonist
Acta Crystallographica Section C
53(12)
(1997)
1887-1889 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,006,887 | 16.402 | 0.002 | 16.402 | 0.002 | 14.573 | 0.002 | 90 | null | 90 | null | 120 | null | 3,395.3 | 0.7 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | R -3 c :H | -R 3 2"c | 167 | Hexasilver Cerium(III) Nonanitrate | - Ag6 Ce N9 O27 - | - Ag6 Ce N9 O27 - | - Ag36 Ce6 N54 O162 - | 6 | 0.166667 | TA1156 | Audebrand, Nathalie; Auffrédic, Jean-Paul; Bénard-Rocherullé, Patricia; Louër, Daniel | Cerous Silver Nitrate, Ag~6~Ce(NO~3~)~9~ | Acta Crystallographica Section C | 1,997 | 53 | 12 | 1748 | 1751 | 10.1107/S0108270197008688 | 0.71073 | MoKα | 0.048 | 0.0397 | null | 0.115 | 0.1075 | null | null | null | 1.006 | 1.012 | 1.012 | null | null | null | has coordinates | Audebrand, Nathalie; Auffrédic, Jean-Paul; Bénard-Rocherullé, Patricia; Louër, Daniel
Cerous Silver Nitrate, Ag~6~Ce(NO~3~)~9~
Acta Crystallographica Section C
53(12)
(1997)
1748-1751 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/68/2006887.cif $
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2,006,888 | 6.805 | 0.001 | 13.225 | 0.001 | 13.902 | 0.001 | 90 | null | 90 | null | 90 | null | 1,251.1 | 0.2 | 292 | 2 | 292 | 2 | null | null | null | null | 4 | P n a 21 | P 2c -2n | 33 | 7-Methoxy-4,4,6-trichloro-2,4,5,6-tetrahydro-3H-3a,5-meth-anoazulene | - C12 H13 Cl3 O - | - C12 H13 Cl3 O - | - C48 H52 Cl12 O4 - | 4 | 1 | TA1168 | Mackay, Maureen F.; Banwell, Martin G.; Pallich, Susanne; Phyland, James R. | Novel Products from the Rearrangement of Some [<i>n</i>.3.1]Propellanes | Acta Crystallographica Section C | 1,997 | 53 | 12 | 2000 | 2002 | 10.1107/S0108270197010044 | 1.5418 | CuKα | 0.057 | 0.052 | null | 0.125 | 0.121 | null | null | null | 1.031 | 1.074 | 1.074 | null | null | null | has coordinates | Mackay, Maureen F.; Banwell, Martin G.; Pallich, Susanne; Phyland, James R.
Novel Products from the Rearrangement of Some [<i>n</i>.3.1]Propellanes
Acta Crystallographica Section C
53(12)
(1997)
2000-2002 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/68/2006888.cif $
#-------------------------------------------------------------------... | ||||||||||
2,006,889 | 9.818 | 0.002 | 11.191 | 0.001 | 11.79 | 0.001 | 90 | null | 90 | null | 90 | null | 1,295.4 | 0.3 | 292 | 2 | 292 | 2 | null | null | null | null | 4 | P 21 21 21 | P 2ac 2ab | 19 | (3aα,6α)-(E)-5-Chloromethylene-8,8-dichloro-6-methoxy-1,2,3,4,5,6-hexahydro- 3a,6-methanO-3aH-indene | - C12 H13 Cl3 O - | - C12 H13 Cl3 O - | - C48 H52 Cl12 O4 - | 4 | 1 | TA1168 | Mackay, Maureen F.; Banwell, Martin G.; Pallich, Susanne; Phyland, James R. | Novel Products from the Rearrangement of Some [<i>n</i>.3.1]Propellanes | Acta Crystallographica Section C | 1,997 | 53 | 12 | 2000 | 2002 | 10.1107/S0108270197010044 | 1.5418 | CuKα | 0.039 | 0.037 | null | 1.107 | 1.107 | null | null | null | 1.109 | 1.109 | 1.109 | null | null | null | has coordinates | Mackay, Maureen F.; Banwell, Martin G.; Pallich, Susanne; Phyland, James R.
Novel Products from the Rearrangement of Some [<i>n</i>.3.1]Propellanes
Acta Crystallographica Section C
53(12)
(1997)
2000-2002 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/68/2006889.cif $
#-------------------------------------------------------------------... | ||||||||||
2,230,121 | 7.384 | 0.0015 | 11.749 | 0.002 | 13.107 | 0.003 | 84.18 | 0.03 | 76.18 | 0.03 | 79.04 | 0.03 | 1,082.2 | 0.4 | 173 | 2 | 173 | 2 | null | null | null | null | 4 | P -1 | -P 1 | 2 | Diferrocenyl(methyl)phenylsilane | - C27 H26 Fe2 Si - | - C27 H26 Fe2 Si - | - C54 H52 Fe4 Si2 - | 2 | 1 | QM2006 | Liu, Yu-Peng; Li, Zong-Qi; Tan, Yong-Xia; Zhang, Zhi-Jie | Diferrocenyl(methyl)phenylsilane | Acta Crystallographica Section E | 2,011 | 67 | 5 | m635 | 10.1107/S1600536811014917 | 0.71073 | MoKα | 0.0557 | 0.05 | null | null | 0.1304 | 0.134 | null | null | null | null | null | 1.131 | null | null | has coordinates,has Fobs | Liu, Yu-Peng; Li, Zong-Qi; Tan, Yong-Xia; Zhang, Zhi-Jie
Diferrocenyl(methyl)phenylsilane
Acta Crystallographica Section E
67(5)
(2011)
m635 | 288,505 | 2023-12-22 | 15:12:01 | #------------------------------------------------------------------------------
#$Date: 2023-12-22 17:07:40 +0200 (Fri, 22 Dec 2023) $
#$Revision: 288505 $
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2,006,890 | 3.8827 | 0.001 | 3.8827 | 0.001 | 7.546 | 0.002 | 90 | null | 90 | null | 90 | null | 113.76 | 0.05 | 124 | 2 | 124 | 2 | null | null | null | null | 5 | P 4/m m m | -P 4 2 | 123 | - Ba Co0.9 Cu1.1 O5 Y - | - Ba Co0.9 Cu1.1 O5 Y - | - Ba Co0.9 Cu1.1 O5 Y - | 1 | 0.0625 | TA1169 | Gainsford, Graeme J.; Tallon, J. L.; Lin, C.T. | YBa(Cu~1.10~Co~0.90~)O~5~, Prepared from YBa~2~Cu~3~O~7~ | Acta Crystallographica Section C | 1,997 | 53 | 12 | 1729 | 1730 | 10.1107/S0108270197010743 | 0.7093 | MoKα | 0.0289 | 0.028 | null | 0.0641 | 0.064 | null | null | null | 1.316 | 1.339 | 1.339 | null | null | null | has coordinates | Gainsford, Graeme J.; Tallon, J. L.; Lin, C.T.
YBa(Cu~1.10~Co~0.90~)O~5~, Prepared from YBa~2~Cu~3~O~7~
Acta Crystallographica Section C
53(12)
(1997)
1729-1730 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/68/2006890.cif $
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2,006,891 | 8.715 | 0.006 | 10.229 | 0.005 | 25.007 | 0.012 | 90 | null | 96.17 | 0.04 | 90 | null | 2,216 | 2 | 293 | 2 | 115 | 2 | null | null | null | null | 6 | P 1 21/c 1 | -P 2ybc | 14 | - C19 H26 Cl Co N4 O7 - | - C19 H26 Cl Co N4 O7 - | - C76 H104 Cl4 Co4 N16 O28 - | 4 | 1 | TA1171 | Hartshorn, Richard M.; Robinson, Ward T.; Telfer, Shane G. | β-(1,10-Phenanthroline)(1,3-propanediamine-<i>N</i>,<i>N</i>'-diacetato)cobalt(III) Chloride Trihydrate | Acta Crystallographica Section C | 1,997 | 53 | 12 | 1757 | 1759 | 10.1107/S0108270197010755 | 0.71073 | MoKα | 0.071 | 0.041 | null | 0.129 | null | 0.103 | null | null | 1.026 | 1.042 | 1.042 | null | null | null | has coordinates,has Fobs | Hartshorn, Richard M.; Robinson, Ward T.; Telfer, Shane G.
β-(1,10-Phenanthroline)(1,3-propanediamine-<i>N</i>,<i>N</i>'-diacetato)cobalt(III) Chloride Trihydrate
Acta Crystallographica Section C
53(12)
(1997)
1757-1759 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/68/2006891.cif $
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2,006,892 | 4.964 | 0.003 | 5.19 | 0.004 | 24.497 | 0.003 | 90 | null | 90.75 | 0.03 | 90 | null | 631.1 | 0.6 | 296.2 | null | 296.2 | null | null | null | null | null | 3 | P 1 21/c 1 | -P 2ybc | 14 | 1,12-dodecanediol | - C12 H26 O2 - | - C12 H26 O2 - | - C24 H52 O4 - | 2 | 0.5 | TA1172 | Nakamura, Naotake; Setodoi, Shigetaka | 1,12-Dodecanediol | Acta Crystallographica Section C | 1,997 | 53 | 12 | 1883 | 1885 | 10.1107/S0108270197011918 | 0.7107 | MoKα | 0.097 | 0.049 | null | 0.091 | 0.072 | null | null | null | 1.606 | 1.27 | 1.27 | null | null | null | has coordinates | Nakamura, Naotake; Setodoi, Shigetaka
1,12-Dodecanediol
Acta Crystallographica Section C
53(12)
(1997)
1883-1885 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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2,006,893 | 8.332 | 0.001 | 9.524 | 0.001 | 13.539 | 0.002 | 90.02 | 0.01 | 100.32 | 0.02 | 111.33 | 0.01 | 982.1 | 0.2 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | Di-μ-acetatobis(dicarbonyl(pyrazole)ruthenium(I)) | - C14 H14 N4 O8 Ru2 - | - C14 H14 N4 O8 Ru2 - | - C28 H28 N8 O16 Ru4 - | 2 | 1 | TA1175 | Panneerselvam, Kaliyamoorthy; Lu, Tian-Huey; Huang, Chao-Hao; Tung, Shu-Fang; Shiu, Kom-Bei | Di-μ-acetato-bis[dicarbonyl(pyrazole)ruthenium(I)] and Di-μ-acetato-bis[dicarbonyl(3,5-dimethylpyrazole)ruthenium(I)] | Acta Crystallographica Section C | 1,997 | 53 | 12 | 1782 | 1784 | 10.1107/S0108270197012274 | 0.7093 | MoKα | 0.03 | 0.024 | null | 0.06 | 0.059 | null | null | null | 1.035 | 1.094 | 1.094 | null | null | null | has coordinates | Panneerselvam, Kaliyamoorthy; Lu, Tian-Huey; Huang, Chao-Hao; Tung, Shu-Fang; Shiu, Kom-Bei
Di-μ-acetato-bis[dicarbonyl(pyrazole)ruthenium(I)] and Di-μ-acetato-bis[dicarbonyl(3,5-dimethylpyrazole)ruthenium(I)]
Acta Crystallographica Section C
53(12)
(1997)
1782-1784 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/68/2006893.cif $
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2,230,120 | 10.515 | 0.0003 | 10.515 | 0.0003 | 19.8142 | 0.0008 | 90 | null | 90 | null | 90 | null | 2,190.76 | 0.13 | 296 | 2 | 296 | 2 | null | null | null | null | 4 | P 41 21 2 | P 4abw 2nw | 92 | 1,3-Bis(3-phenylpropyl)-1<i>H</i>-1,3-benzimidazole-2(3<i>H</i>)-selone | - C25 H26 N2 Se - | - C25 H26 N2 Se - | - C100 H104 N8 Se4 - | 4 | 0.5 | QM2004 | Akkurt, Mehmet; Yılmaz, Ülkü; Küçükbay, Hasan; Büyükgüngör, Orhan | 1,3-Bis(3-phenylpropyl)-1<i>H</i>-1,3-benzimidazole-2(3<i>H</i>)-selone | Acta Crystallographica Section E | 2,011 | 67 | 5 | o1179 | 10.1107/S1600536811013985 | 0.71073 | MoKα | 0.0397 | 0.0317 | null | null | 0.0641 | 0.0664 | null | null | null | null | null | 1.067 | null | null | has coordinates,has Fobs | Akkurt, Mehmet; Yılmaz, Ülkü; Küçükbay, Hasan; Büyükgüngör, Orhan
1,3-Bis(3-phenylpropyl)-1<i>H</i>-1,3-benzimidazole-2(3<i>H</i>)-selone
Acta Crystallographica Section E
67(5)
(2011)
o1179 | 301,806 | 2025-08-19 | 15:27:02 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 17:49:58 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301806 $
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2,006,894 | 9.292 | 0.001 | 13.731 | 0.001 | 18.639 | 0.002 | 90 | null | 90 | null | 90 | null | 2,378.1 | 0.4 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | B b 21 m | B -2 -2b | 36 | Di-u-acetatobis(dicarbonyl(3,5-dimethylpyrazole)ruthenium(I)) | - C18 H22 N4 O8 Ru2 - | - C18 H22 N4 O8 Ru2 - | - C72 H88 N16 O32 Ru8 - | 4 | 0.5 | TA1175 | Panneerselvam, Kaliyamoorthy; Lu, Tian-Huey; Huang, Chao-Hao; Tung, Shu-Fang; Shiu, Kom-Bei | Di-μ-acetato-bis[dicarbonyl(pyrazole)ruthenium(I)] and Di-μ-acetato-bis[dicarbonyl(3,5-dimethylpyrazole)ruthenium(I)] | Acta Crystallographica Section C | 1,997 | 53 | 12 | 1782 | 1784 | 10.1107/S0108270197012274 | 0.7093 | MoKα | 0.054 | 0.05 | null | 0.169 | 0.168 | null | null | null | 1.199 | 1.242 | 1.242 | null | null | null | has coordinates | Panneerselvam, Kaliyamoorthy; Lu, Tian-Huey; Huang, Chao-Hao; Tung, Shu-Fang; Shiu, Kom-Bei
Di-μ-acetato-bis[dicarbonyl(pyrazole)ruthenium(I)] and Di-μ-acetato-bis[dicarbonyl(3,5-dimethylpyrazole)ruthenium(I)]
Acta Crystallographica Section C
53(12)
(1997)
1782-1784 | 191,018 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2017-01-27 13:07:51 +0200 (Fri, 27 Jan 2017) $
#$Revision: 191018 $
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2,006,895 | 8.665 | 0.003 | 16.681 | 0.002 | 13.673 | 0.004 | 90 | null | 98.49 | 0.03 | 90 | null | 1,954.7 | 0.9 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | P 1 21 1 | P 2yb | 4 | (Perchlorato-O)(1,4,7,11,13- pentaazacyclohexadecane-N,N',N'',N''',N'''') Nickel(II) Perchlorate | - C11 H27 Cl2 N5 Ni O8 - | - C11 H27 Cl2 N5 Ni O8 - | - C44 H108 Cl8 N20 Ni4 O32 - | 4 | 2 | TA1177 | Panneerselvam, Kaliyamoorthy; Lu, Tian-Huey; Tung, Shu-Fang; Chi, Ta-Yung; Chung, Chung-Sun | (1,4,7,11,13-Pentaazacyclohexadecane-κ^5^<i>N</i>)(perchlorato-κ<i>O</i>)nickel(II) Perchlorate | Acta Crystallographica Section C | 1,997 | 53 | 12 | 1778 | 1780 | 10.1107/S0108270197011141 | 0.7093 | MoKα | 0.088 | 0.066 | null | 0.157 | 0.142 | null | null | null | 0.848 | 1.217 | 1.217 | null | null | null | has coordinates | Panneerselvam, Kaliyamoorthy; Lu, Tian-Huey; Tung, Shu-Fang; Chi, Ta-Yung; Chung, Chung-Sun
(1,4,7,11,13-Pentaazacyclohexadecane-κ^5^<i>N</i>)(perchlorato-κ<i>O</i>)nickel(II) Perchlorate
Acta Crystallographica Section C
53(12)
(1997)
1778-1780 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,006,896 | 6.6161 | 0.0013 | 9.633 | 0.002 | 12.692 | 0.003 | 98.27 | 0.02 | 104.84 | 0.02 | 106.74 | 0.02 | 727.8 | 0.3 | 293 | 1 | 293 | 1 | null | null | null | null | 4 | P -1 | -P 1 | 2 | - C13 H13 Br3 O3 - | - C13 H13 Br3 O3 - | - C26 H26 Br6 O6 - | 2 | 1 | TA1187 | Gable, Robert W.; Lowe, David A.; Tsanaktsidis, John | <i>endo</i>-1,4,4-Tribromo-3-methyltricyclo[5.2.1.0^2,6^]dec-8-ene-5,10-dione 10-Ethylene Acetal | Acta Crystallographica Section C | 1,997 | 53 | 12 | 1916 | 1917 | 10.1107/S0108270197012286 | 0.71073 | MoKα | 0.0684 | 0.0447 | null | 0.1188 | 0.1052 | null | null | null | 1.055 | 1.097 | 1.097 | null | null | null | has coordinates | Gable, Robert W.; Lowe, David A.; Tsanaktsidis, John
<i>endo</i>-1,4,4-Tribromo-3-methyltricyclo[5.2.1.0^2,6^]dec-8-ene-5,10-dione 10-Ethylene Acetal
Acta Crystallographica Section C
53(12)
(1997)
1916-1917 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,006,897 | 13.716 | 0.001 | 14.969 | 0.003 | 15.925 | 0.001 | 90 | null | 90 | null | 90 | null | 3,269.6 | 0.7 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | P c a b | -P 2bc 2ac | 61 | Chloro (1,4,7,11-tetraazacyclotetradecane-N,N',N'',N''') Zinc(II) Perchlorate | - C10 H24 Cl2 N4 O4 Zn - | - C10 H24 Cl2 N4 O4 Zn - | - C80 H192 Cl16 N32 O32 Zn8 - | 8 | 1 | VJ1073 | Lu, Tian-Huey; Panneerselvam, Kaliyamoorthy; Tung, Shu-Fang; Chi, Ta-Yung; Chung, Chung-Sun | Chloro(1,4,7,11-tetraazacyclotetradecane-<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''')zinc(II) Perchlorate | Acta Crystallographica Section C | 1,997 | 53 | 12 | 1780 | 1782 | 10.1107/S010827019701192X | 0.7107 | MoKα | 0.09 | 0.054 | null | 0.143 | 0.137 | null | null | null | 0.936 | 1.114 | 1.114 | null | null | null | has coordinates | Lu, Tian-Huey; Panneerselvam, Kaliyamoorthy; Tung, Shu-Fang; Chi, Ta-Yung; Chung, Chung-Sun
Chloro(1,4,7,11-tetraazacyclotetradecane-<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''')zinc(II) Perchlorate
Acta Crystallographica Section C
53(12)
(1997)
1780-1782 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,006,898 | 21.4236 | 0.0009 | 21.4236 | 0.0009 | 25.757 | 0.003 | 90 | null | 90 | null | 90 | null | 11,821.7 | 1.5 | 170 | 2 | 170 | 2 | null | null | null | null | 6 | I 41 c d | I 4bw -2c | 110 | (μ~5~-oxo)-bis(μ~3~-isopropoxo)-hexakis(μ~2~-isopropoxo) -hexakis(isopropoxy)-tetra-terbium(III)-titanium (μ~5~-oxo)-bis(μ~3~-isopropoxo)-hexakis(μ~2~-isopropoxo) -hexakis(isopropoxy)-tetra-erbium(III)-titanium | - C42 H98 Er0.4 O15 Tb3.6 Ti - | - C42 H98 Er0.4 O15 Tb3.6 Ti - | - C336 H784 Er3.2 O120 Tb28.8 Ti8 - | 8 | 0.5 | AB1489 | Marat Moustiakimov; Mikael Kritikos; Gunnar Westin | (Tb~0.9~,Er~0.1~)~4~TiO(O^<i>i^</i>Pr)~14~, a Novel Pentanuclear Oxo‒Alkoxide | Acta Crystallographica Section C | 1,998 | 54 | 1 | 29 | 31 | 10.1107/S0108270197010664 | 0.71073 | MoKα | 0.0393 | 0.0238 | null | 0.0632 | 0.0597 | null | null | null | 0.997 | 1.122 | 1.122 | null | null | null | has coordinates | Marat Moustiakimov; Mikael Kritikos; Gunnar Westin
(Tb~0.9~,Er~0.1~)~4~TiO(O^<i>i^</i>Pr)~14~, a Novel Pentanuclear Oxo‒Alkoxide
Acta Crystallographica Section C
54(1)
(1998)
29-31 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
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2,006,899 | 13.1891 | 0.0009 | 10.5406 | 0.0008 | 8.0819 | 0.0008 | 90 | null | 90 | null | 90 | null | 1,123.55 | 0.16 | 200 | 2 | 200 | 2 | null | null | null | null | 5 | P 21 21 2 | P 2 2ab | 18 | 8,8'-bis(dimethylsulphido)-commo-3,3'-ferra- bis(3,1,2-closo-ferradicarbadodecaborane(10)) | - C8 H32 B18 Fe S2 - | - C8 H32 B18 Fe S2 - | - C16 H64 B36 Fe2 S4 - | 2 | 0.5 | AB1497 | Plešek, Jaromír; Štíbr, Bohumil; Cooke, Paul A.; Kennedy, John D.; McGrath, Thomas D.; Thornton-Pett, Mark | An Additional Isomer of the Neutral Dicarbollide Analogue of Ferrocene [Fe{C~2~B~9~H~10~(SMe~2~)}~2~] | Acta Crystallographica Section C | 1,998 | 54 | 1 | 36 | 38 | 10.1107/S0108270197012742 | 0.71073 | MoKα | 0.0168 | 0.0165 | null | 0.0452 | 0.045 | null | null | null | 1.127 | 1.126 | 1.126 | null | null | null | has coordinates,has Fobs | Plešek, Jaromír; Štíbr, Bohumil; Cooke, Paul A.; Kennedy, John D.; McGrath, Thomas D.; Thornton-Pett, Mark
An Additional Isomer of the Neutral Dicarbollide Analogue of Ferrocene [Fe{C~2~B~9~H~10~(SMe~2~)}~2~]
Acta Crystallographica Section C
54(1)
(1998)
36-38 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
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2,230,119 | 12.575 | 0.0013 | 16.4137 | 0.0019 | 14.108 | 0.0015 | 90 | null | 113.988 | 0.002 | 90 | null | 2,660.4 | 0.5 | 298 | 2 | 298 | 2 | null | null | null | null | 6 | P 1 21/c 1 | -P 2ybc | 14 | Bis{μ~3~-<i>cis</i>-<i>N</i>-(2-carboxylato-5-chlorophenyl)-<i>N</i>'- [3-(dimethylamino)propyl]oxamidato(3-)}bis(perchlorato- κ<i>O</i>)bis(<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'- tetramethylethylenediamine)tetracopper(II) | - C40 H62 Cl4 Cu4 N10 O16 - | - C40 H62 Cl4 Cu4 N10 O16 - | - C80 H124 Cl8 Cu8 N20 O32 - | 2 | 0.5 | PV2408 | Sun, Yanlong; Xu, Xuelian | Bis{μ~3~-<i>cis</i>-<i>N</i>-(2-carboxylato-5-chlorophenyl)-<i>N</i>'-[3-(dimethylamino)propyl]oxamidato(3{-})}bis(perchlorato-κ<i>O</i>)bis(<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylethylenediamine)tetracopper(II) | Acta Crystallographica Section E | 2,011 | 67 | 5 | m645 | m646 | 10.1107/S1600536811014978 | 0.71073 | MoKα | 0.0734 | 0.0444 | null | null | 0.1095 | 0.1326 | null | null | null | null | null | 1.004 | null | null | has coordinates,has disorder,has Fobs | Sun, Yanlong; Xu, Xuelian
Bis{μ~3~-<i>cis</i>-<i>N</i>-(2-carboxylato-5-chlorophenyl)-<i>N</i>'-[3-(dimethylamino)propyl]oxamidato(3{-})}bis(perchlorato-κ<i>O</i>)bis(<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylethylenediamine)tetracopper(II)
Acta Crystallographica Section E
67(5)
(2011)
m645-m646 | 301,806 | 2025-08-19 | 15:27:02 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 17:49:58 +0300 (Tue, 19 Aug 2025) $
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2,006,900 | 11.159 | 0.0012 | 25.112 | 0.002 | 9.663 | 0.0009 | 90 | null | 90.641 | 0.009 | 90 | null | 2,707.6 | 0.4 | 200 | 2 | 200 | 2 | null | null | null | null | 6 | P 1 21/c 1 | -P 2ybc | 14 | 9-(triphenylphosphine)-arachno-6-thiadecaborane(11) | - C19 H27 B9 Cl3 P S - | - C19 H27 B9 Cl3 P S - | - C76 H108 B36 Cl12 P4 S4 - | 4 | 1 | AB1503 | Cooke, Paul A.; Holub, Josef; Kennedy, John D.; S̆tíbr, Bohumil; Thornton-Pett, Mark | 9-(Triphenylphosphine-<i>P</i>)-<i>arachno</i>-6-thiadecaborane(11) Trichloromethane (1/1) | Acta Crystallographica Section C | 1,998 | 54 | 1 | 121 | 123 | 10.1107/S0108270197012389 | 1.54186 | CuKα | 0.0804 | 0.0547 | null | 0.1456 | 0.1291 | null | null | null | 1.006 | 1.056 | 1.056 | null | null | null | has coordinates,has disorder | Cooke, Paul A.; Holub, Josef; Kennedy, John D.; S̆tíbr, Bohumil; Thornton-Pett, Mark
9-(Triphenylphosphine-<i>P</i>)-<i>arachno</i>-6-thiadecaborane(11) Trichloromethane (1/1)
Acta Crystallographica Section C
54(1)
(1998)
121-123 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
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2,006,901 | 9.6749 | 0.0008 | 14.531 | 0.002 | 18.053 | 0.002 | 90 | null | 101.462 | 0.007 | 90 | null | 2,487.4 | 0.5 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | P 1 21/n 1 | -P 2yn | 14 | - C20 H25 Au B10 Cl P - | - C20 H25 Au B10 Cl P - | - C80 H100 Au4 B40 Cl4 P4 - | 4 | 1 | AB1516 | McWhannell, M. Anna; Rosair, Georgina M.; Welch, Alan J. | 1-[Chloro(diphenylphosphino)gold(I)-<i>P</i>]-2-phenyl-1,2-dicarba-<i>closo</i>-dodecaborane(12) | Acta Crystallographica Section C | 1,998 | 54 | 1 | 13 | 15 | 10.1107/S0108270197013048 | 0.71073 | MoKα | 0.0993 | 0.051 | null | 0.1156 | 0.096 | null | null | null | 1.05 | 1.091 | 1.091 | null | null | null | has coordinates | McWhannell, M. Anna; Rosair, Georgina M.; Welch, Alan J.
1-[Chloro(diphenylphosphino)gold(I)-<i>P</i>]-2-phenyl-1,2-dicarba-<i>closo</i>-dodecaborane(12)
Acta Crystallographica Section C
54(1)
(1998)
13-15 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
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2,006,902 | 11.8721 | 0.0007 | 15.406 | 0.002 | 7.1392 | 0.0005 | 90 | null | 95.361 | 0.005 | 90 | null | 1,300.1 | 0.2 | 298 | null | null | null | null | null | null | null | 6 | P 1 21/c 1 | -P 2ybc | null | 2-(5-Chloro-2-nitrophenyl)thionicotinoyl Chloride | - C12 H6 Cl2 N2 O3 S - | - C12 H6 Cl2 N2 O3 S - | - C48 H24 Cl8 N8 O12 S4 - | 4 | 1 | BK1348 | Garcia, J. Gabriel; Haydar, Simon H.; Krapcho, A. Paul; Liu, Yen-Hsiang; Fronczek, Frank R. | 2-(5-Chloro-2-nitrophenylthio)nicotinoyl Chloride | Acta Crystallographica Section C | 1,998 | 54 | 1 | 146 | 148 | 10.1107/S0108270197012870 | 1.54184 | CuKα | null | 0.047 | null | null | 0.061 | null | null | null | null | 1.62 | 1.62 | null | null | null | has coordinates | Garcia, J. Gabriel; Haydar, Simon H.; Krapcho, A. Paul; Liu, Yen-Hsiang; Fronczek, Frank R.
2-(5-Chloro-2-nitrophenylthio)nicotinoyl Chloride
Acta Crystallographica Section C
54(1)
(1998)
146-148 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,006,903 | 12.616 | 0.004 | 5.336 | 0.002 | 12.571 | 0.004 | 90 | null | 104.67 | 0.03 | 90 | null | 818.7 | 0.5 | 294 | null | null | null | null | null | null | null | 4 | C 1 2/c 1 | -C 2yc | 15 | - C10 H8 N2 O2 - | - C10 H8 N2 O2 - | - C40 H32 N8 O8 - | 4 | 0.5 | BK1357 | Kanno, Hideaki; Omotera, Yasuyoshi; Iijima, Kinya | 2,2'-Bipyridine 1,1'-Dioxide | Acta Crystallographica Section C | 1,998 | 54 | 1 | 149 | 151 | 10.1107/S0108270197013814 | 0.71073 | MoKα | null | 0.056 | null | null | null | 0.069 | null | null | null | null | null | 1.836 | null | null | has coordinates | Kanno, Hideaki; Omotera, Yasuyoshi; Iijima, Kinya
2,2'-Bipyridine 1,1'-Dioxide
Acta Crystallographica Section C
54(1)
(1998)
149-151 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,230,118 | 7.8409 | 0.0008 | 7.92 | 0.0009 | 13.8961 | 0.0014 | 85.038 | 0.002 | 82.773 | 0.001 | 65.894 | 0.001 | 780.84 | 0.14 | 298 | 2 | 298 | 2 | null | null | null | null | 4 | P -1 | -P 1 | 2 | 1-(2,3-Dimethoxybenzylidene)-2-(2,4-dinitrophenyl)hydrazine | - C15 H14 N4 O6 - | - C15 H14 N4 O6 - | - C30 H28 N8 O12 - | 2 | 1 | PV2405 | Xin, Xianrong; Li, Min; Chen, Zhimin; Zhu, Ruitao | 1-(2,3-Dimethoxybenzylidene)-2-(2,4-dinitrophenyl)hydrazine | Acta Crystallographica Section E | 2,011 | 67 | 5 | o1169 | 10.1107/S1600536811013894 | 0.71073 | MoKα | 0.097 | 0.0633 | null | null | 0.1545 | 0.1775 | null | null | null | null | null | 1.056 | null | null | has coordinates,has Fobs | Xin, Xianrong; Li, Min; Chen, Zhimin; Zhu, Ruitao
1-(2,3-Dimethoxybenzylidene)-2-(2,4-dinitrophenyl)hydrazine
Acta Crystallographica Section E
67(5)
(2011)
o1169 | 301,806 | 2025-08-19 | 15:27:02 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 17:49:58 +0300 (Tue, 19 Aug 2025) $
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2,006,904 | 9.2736 | 0.0002 | 11.4181 | 0.0002 | 20.5184 | 0.0003 | 90 | null | 93.696 | 0.001 | 90 | null | 2,168.11 | 0.07 | 153 | 2 | 150 | 2 | null | null | null | null | 6 | P 1 21/c 1 | -P 2ybc | 14 | N-(triphenylphosphinegold)-indoline-2,3-dione | - C26 H19 Au N O2 P - | - C26 H19 Au N O2 P - | - C104 H76 Au4 N4 O8 P4 - | 4 | 1 | BM1167 | Churakov, Andrei V.; Kuz'mina, Lyudmila G.; Howard, Judith A. K.; Grandberg, Kira I. | (2,3-Dioxoindolinyl-<i>N</i>)(triphenylphosphine-<i>P</i>)gold(I) | Acta Crystallographica Section C | 1,998 | 54 | 1 | 54 | 56 | 10.1107/S0108270197013437 | 0.71073 | MoKα | 0.049 | 0.03 | null | 0.07 | 0.06 | null | null | null | 1.019 | 1.067 | 1.067 | null | null | null | has coordinates,has Fobs | Churakov, Andrei V.; Kuz'mina, Lyudmila G.; Howard, Judith A. K.; Grandberg, Kira I.
(2,3-Dioxoindolinyl-<i>N</i>)(triphenylphosphine-<i>P</i>)gold(I)
Acta Crystallographica Section C
54(1)
(1998)
54-56 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,006,905 | 15.9349 | 0.0006 | 8.0535 | 0.0003 | 18.6618 | 0.0009 | 90 | null | 90 | null | 90 | null | 2,394.9 | 0.17 | 180 | 2 | 180 | 2 | null | null | null | null | 3 | P b c a | -P 2ac 2ab | 61 | 3-Acetoxy-6-hydroxy-2,4-dimethoxyacetophenone | - C12 H14 O6 - | - C12 H14 O6 - | - C96 H112 O48 - | 8 | 1 | BM1189 | Mukherjee, Shubhasish; Parmar, Virinder S; Errington, William | 3-Acetoxy-6-hydroxy-2,4-dimethoxyacetophenone | Acta Crystallographica Section C | 1,998 | 54 | 1 | 123 | 125 | 10.1107/S0108270197012894 | 0.71073 | MoKα | 0.0693 | 0.0421 | null | null | null | 0.1045 | null | null | null | null | null | 0.885 | null | null | has coordinates,has Fobs | Mukherjee, Shubhasish; Parmar, Virinder S; Errington, William
3-Acetoxy-6-hydroxy-2,4-dimethoxyacetophenone
Acta Crystallographica Section C
54(1)
(1998)
123-125 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,006,906 | 11.48 | 0.005 | 8.114 | 0.003 | 11.882 | 0.004 | 90 | null | 107.68 | 0.03 | 90 | null | 1,054.5 | 0.7 | 296 | null | 296 | null | null | null | null | null | 5 | P 1 21 1 | P 2yb | 4 | O-Phospho-L-tyrosine | - C9 H12 N O6 P - | - C9 H11.5 N O6 P - | - C36 H46 N4 O24 P4 - | 4 | 2 | BS1022 | Suga, Tamami; Inubushi, Chika; Okabe, Nobuo | <i>O</i>-Phospho-<small>L</small>-tyrosine | Acta Crystallographica Section C | 1,998 | 54 | 1 | 83 | 85 | 10.1107/S0108270197009827 | 0.71069 | MoKα | null | 0.121 | null | null | 0.13 | null | null | null | null | 1.23 | 1.23 | null | null | null | has coordinates | Suga, Tamami; Inubushi, Chika; Okabe, Nobuo
<i>O</i>-Phospho-<small>L</small>-tyrosine
Acta Crystallographica Section C
54(1)
(1998)
83-85 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
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2,006,907 | 6.068 | 0.002 | 11.118 | 0.003 | 24.925 | 0.005 | 90 | null | 90 | null | 90 | null | 1,681.5 | 0.8 | 293 | 2 | 293 | 2 | null | null | null | null | 3 | P 21 21 21 | P 2ac 2ab | 19 | \3a,\4b-Dihydroxy-5α-androstan-17-one | - C19 H30 O3 - | - C19 H30 O3 - | - C76 H120 O12 - | 4 | 1 | BS1035 | Paixão, J. A.; Andrade, L. C. R.; de Almeida, M. J.; Costa, M. M. R. R.; Tavares da Silva, E. J.; Sá e Melo, M. L.; Campos Neves, A. S. | 3α,4β-Dihydroxy-5α-androstan-17-one | Acta Crystallographica Section C | 1,998 | 54 | 1 | 89 | 91 | 10.1107/S0108270197009505 | 0.7093 | MoKα | 0.064 | 0.034 | null | 0.089 | 0.078 | null | null | null | 1.056 | 1.078 | 1.078 | null | null | null | has coordinates | Paixão, J. A.; Andrade, L. C. R.; de Almeida, M. J.; Costa, M. M. R. R.; Tavares da Silva, E. J.; Sá e Melo, M. L.; Campos Neves, A. S.
3α,4β-Dihydroxy-5α-androstan-17-one
Acta Crystallographica Section C
54(1)
(1998)
89-91 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,006,908 | 7.4828 | 0.0008 | 12.126 | 0.001 | 14.179 | 0.002 | 90 | null | 90 | null | 90 | null | 1,286.6 | 0.3 | 293 | null | null | null | null | null | null | null | 4 | P 21 21 21 | P 2ac 2ab | 19 | - C14 H16 O3 S - | - C14 H16 O3 S - | - C56 H64 O12 S4 - | 4 | 1 | CF1177 | Zukerman-Schpector, J.; Monteiro, Hugo J. | Intermediates in the Synthesis of (+)-Grandisol. II | Acta Crystallographica Section C | 1,998 | 54 | 1 | 96 | 97 | 10.1107/S0108270197011426 | 0.71073 | MoKα | 0.0988 | 0.041 | null | 0.119 | null | 0.0857 | null | null | 1.13 | null | null | 1.078 | null | null | has coordinates,has disorder | Zukerman-Schpector, J.; Monteiro, Hugo J.
Intermediates in the Synthesis of (+)-Grandisol. II
Acta Crystallographica Section C
54(1)
(1998)
96-97 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,006,909 | 10.21 | 0.007 | 29.279 | 0.003 | 9.314 | 0.004 | 90 | null | 90 | null | 90 | null | 2,784 | 2 | 296.2 | null | 296.2 | null | null | null | null | null | 3 | P 21 21 21 | P 2ac 2ab | 19 | - C34 H34 O4 - | - C34 H34 O4 - | - C136 H136 O16 - | 4 | 1 | DE1056 | Kazuyoshi Nishikawa; Harumichi Tsukada; Satoshi Abe; Shintaro Misaki; Noritake Yasuoka | (<i>R</i>,<i>R</i>)-({-})-<i>trans</i>-2,3-Bis(hydroxydiphenylmethyl)-1,4-dioxaspiro[4.5]decane | Acta Crystallographica Section C | 1,998 | 54 | 1 | 111 | 112 | 10.1107/S010827019700992X | 0.7107 | MoKα | 0.0671 | 0.0671 | null | 0.1049 | 0.1049 | null | null | null | 1.109 | 1.109 | 1.109 | null | null | null | has coordinates | Kazuyoshi Nishikawa; Harumichi Tsukada; Satoshi Abe; Shintaro Misaki; Noritake Yasuoka
(<i>R</i>,<i>R</i>)-({-})-<i>trans</i>-2,3-Bis(hydroxydiphenylmethyl)-1,4-dioxaspiro[4.5]decane
Acta Crystallographica Section C
54(1)
(1998)
111-112 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,230,117 | 8.2524 | 0.0006 | 13.5905 | 0.001 | 13.8117 | 0.001 | 62.5191 | 0.0008 | 75.409 | 0.0009 | 85.993 | 0.0009 | 1,327.99 | 0.17 | 100 | 2 | 100 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | 1-Tosyl-2-[(1-tosyl-1<i>H</i>-benzimidazol-2-yl)methylsulfanyl]-1<i>H</i>- benzimidazole | - C29 H24 N4 O4 S3 - | - C29 H24 N4 O4 S3 - | - C58 H48 N8 O8 S6 - | 2 | 1 | PV2404 | N. Al-Mohammed, Nassir; Alias, Yatimah; Abdullah, Zanariah; Khaledi, Hamid | 1-Tosyl-2-[(1-tosyl-1<i>H</i>-benzimidazol-2-yl)methylsulfanyl]-1<i>H</i>-benzimidazole | Acta Crystallographica Section E | 2,011 | 67 | 5 | o1043 | 10.1107/S1600536811011822 | 0.71073 | MoKα | 0.0422 | 0.0387 | null | null | 0.1113 | 0.1171 | null | null | null | null | null | 1.052 | null | null | has coordinates,has disorder,has Fobs | N. Al-Mohammed, Nassir; Alias, Yatimah; Abdullah, Zanariah; Khaledi, Hamid
1-Tosyl-2-[(1-tosyl-1<i>H</i>-benzimidazol-2-yl)methylsulfanyl]-1<i>H</i>-benzimidazole
Acta Crystallographica Section E
67(5)
(2011)
o1043 | 301,806 | 2025-08-19 | 15:27:02 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 17:49:58 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301806 $
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2,006,910 | 13.21 | 0.003 | 9.801 | 0.003 | 13.968 | 0.003 | 90 | null | 91.728 | 0.012 | 90 | null | 1,807.6 | 0.8 | 293 | null | null | null | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | 4H,9H-4,9-dihydroxy-4,9-dimethyl-1,2,5,6,6a,7,8- heptahydroimidazo[1,2,3,-i,j][1,8]naphthyridinium benzoate | - C19 H26 N2 O4 - | - C19 H26 N2 O4 - | - C76 H104 N8 O16 - | 4 | 1 | DE1059 | Zhang, Jian-Heng; Chen, Xue-An; Li, Yan; Huang, Zhi-Tang | 4,9-Dihydroxy-4,9-dimethyl-4<i>H</i>,9<i>H</i>-1,2,5,6,6a,7,8-heptahydroimidazo[1,2,3-<i>i</i>,<i>j</i>][1,8]naphthyridinium Benzoate | Acta Crystallographica Section C | 1,998 | 54 | 1 | 140 | 142 | 10.1107/S0108270197009529 | 0.71073 | MoKα | null | 0.0441 | null | 0.111 | null | null | null | null | 0.919 | null | null | null | null | null | has coordinates | Zhang, Jian-Heng; Chen, Xue-An; Li, Yan; Huang, Zhi-Tang
4,9-Dihydroxy-4,9-dimethyl-4<i>H</i>,9<i>H</i>-1,2,5,6,6a,7,8-heptahydroimidazo[1,2,3-<i>i</i>,<i>j</i>][1,8]naphthyridinium Benzoate
Acta Crystallographica Section C
54(1)
(1998)
140-142 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,006,911 | 10.506 | 0.001 | 14.39 | 0.001 | 6.471 | 0.001 | 90 | null | 105.79 | 0.01 | 90 | null | 941.38 | 0.19 | 293 | null | null | null | null | null | null | null | 4 | C 1 m 1 | C -2y | 8 | Structure of Synthetic Heptacobalt Tetrasodium Monophosphate Na~4~Co~7~(PO~4~)~6~ | - Co7 Na4 O24 P6 - | - Co7 Na4 O24 P6 - | - Co14 Na8 O48 P12 - | 2 | 0.5 | DU1180 | Kobashi, Dilshat; Kohara, Shizuo; Yamakawa, Junji; Kawahara, Akira | Un Monophosphate Synthétique de Sodium et de Cobalt: Na~4~Co~7~(PO~4~)~6~ | Acta Crystallographica Section C | 1,998 | 54 | 1 | 7 | 9 | 10.1107/S010827019701189X | 0.71069 | MoKα | null | 0.038 | null | null | null | 0.033 | null | null | null | null | null | 1.284 | null | null | has coordinates | Kobashi, Dilshat; Kohara, Shizuo; Yamakawa, Junji; Kawahara, Akira
Un Monophosphate Synthétique de Sodium et de Cobalt: Na~4~Co~7~(PO~4~)~6~
Acta Crystallographica Section C
54(1)
(1998)
7-9 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
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2,006,912 | 8.3 | 0.002 | 14.813 | 0.005 | 27.654 | 0.006 | 90 | null | 90 | null | 90 | null | 3,400 | 1.6 | 293 | 1 | 293 | 1 | null | null | null | null | 4 | P 21 21 21 | P 2ac 2ab | 19 | chasmanthinine | - C36 H49 N O9 - | - C36 H49 N O9 - | - C144 H196 N4 O36 - | 4 | 1 | FG1328 | Parvez, Masood; Gul, Waseem; Anwar, Saeed | Chasmanthinine | Acta Crystallographica Section C | 1,998 | 54 | 1 | 125 | 126 | 10.1107/S0108270197013449 | 1.54178 | CuKα | 0.0605 | 0.0511 | null | 0.1513 | 0.1262 | null | null | null | 1.078 | 1.045 | 1.045 | null | null | null | has coordinates | Parvez, Masood; Gul, Waseem; Anwar, Saeed
Chasmanthinine
Acta Crystallographica Section C
54(1)
(1998)
125-126 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
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2,006,913 | 8.022 | 0.004 | 38.685 | 0.004 | 5.847 | 0.003 | 90 | null | 90 | null | 90 | null | 1,814.5 | 1.3 | 294 | null | 294 | null | null | null | null | null | 5 | P 21 21 21 | P 2ac 2ab | 19 | - C22 H19 N O S - | - C22 H19 N O S - | - C88 H76 N4 O4 S4 - | 4 | 1 | FG1342 | Fu, Tai Y.; Scheffer, John R.; Trotter, James | Photocleavage Reactions of Monothioimides | Acta Crystallographica Section C | 1,998 | 54 | 1 | 103 | 107 | 10.1107/S0108270197011645 | 1.5418 | CuKα | null | 0.03 | null | null | null | 0.0845 | null | null | null | null | null | 1.71 | null | null | has coordinates | Fu, Tai Y.; Scheffer, John R.; Trotter, James
Photocleavage Reactions of Monothioimides
Acta Crystallographica Section C
54(1)
(1998)
103-107 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,006,914 | 9.506 | 0.001 | 17.643 | 0.002 | 11.96 | 0.001 | 90 | null | 91.65 | 0.01 | 90 | null | 2,005 | 0.4 | 294 | null | 294 | null | null | null | null | null | 6 | P 1 21/a 1 | -P 2yab | 14 | - C22 H18 Br N O S - | - C22 H18 Br N O S - | - C88 H72 Br4 N4 O4 S4 - | 4 | 1 | FG1342 | Fu, Tai Y.; Scheffer, John R.; Trotter, James | Photocleavage Reactions of Monothioimides | Acta Crystallographica Section C | 1,998 | 54 | 1 | 103 | 107 | 10.1107/S0108270197011645 | 1.5418 | CuKα | null | 0.0439 | null | null | null | 0.1298 | null | null | null | null | null | 3.63 | null | null | has coordinates | Fu, Tai Y.; Scheffer, John R.; Trotter, James
Photocleavage Reactions of Monothioimides
Acta Crystallographica Section C
54(1)
(1998)
103-107 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/69/2006914.cif $
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2,230,116 | 10.312 | 0.002 | 11.243 | 0.002 | 21.283 | 0.004 | 79.565 | 0.003 | 88.961 | 0.003 | 85.125 | 0.003 | 2,417.9 | 0.8 | 100 | 2 | 100 | 2 | null | null | null | null | 4 | P -1 | -P 1 | 2 | 2,6-bis(trifluoromethyl)benzoic acid | 2,6-Bis(trifluoromethyl)benzoic acid | - C9 H4 F6 O2 - | - C9 H4 F6 O2 - | - C90 H40 F60 O20 - | 10 | 5 | PV2403 | Giffin, Nick A.; Hendsbee, Arthur D.; Masuda, Jason D. | A new polymorph of 2,6-bis(trifluoromethyl)benzoic acid | Acta Crystallographica Section E | 2,011 | 67 | 5 | o1054 | 10.1107/S1600536811011731 | 0.71073 | MoKα | 0.0954 | 0.0482 | null | null | 0.1171 | 0.1511 | null | null | null | null | null | 0.852 | null | null | has coordinates,has Fobs | Giffin, Nick A.; Hendsbee, Arthur D.; Masuda, Jason D.
A new polymorph of 2,6-bis(trifluoromethyl)benzoic acid
Acta Crystallographica Section E
67(5)
(2011)
o1054 | 301,806 | 2025-08-19 | 15:27:02 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 17:49:58 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301806 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/23/01/2230116.cif $
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2,006,915 | 38.032 | 0.003 | 7.373 | 0.004 | 7.725 | 0.004 | 90 | null | 90 | null | 90 | null | 2,166.2 | 1.6 | 294 | null | 294 | null | null | null | null | null | 6 | P c a 21 | P 2c -2ac | 29 | - C24 H22 Br N O S - | - C24 H22 Br N O S - | - C96 H88 Br4 N4 O4 S4 - | 4 | 1 | FG1342 | Fu, Tai Y.; Scheffer, John R.; Trotter, James | Photocleavage Reactions of Monothioimides | Acta Crystallographica Section C | 1,998 | 54 | 1 | 103 | 107 | 10.1107/S0108270197011645 | 0.7107 | MoKα | null | 0.0331 | null | null | null | 0.0824 | null | null | null | null | null | 1.18 | null | null | has coordinates | Fu, Tai Y.; Scheffer, John R.; Trotter, James
Photocleavage Reactions of Monothioimides
Acta Crystallographica Section C
54(1)
(1998)
103-107 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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2,006,916 | 26.345 | 0.006 | 24.531 | 0.007 | 6.073 | 0.01 | 90 | null | 90 | null | 90 | null | 3,925 | 7 | 294 | null | 294 | null | null | null | null | null | 5 | P b c a | -P 2ac 2ab | 61 | - C23 H21 N O2 S - | - C23 H21 N O2 S - | - C184 H168 N8 O16 S8 - | 8 | 1 | FG1342 | Fu, Tai Y.; Scheffer, John R.; Trotter, James | Photocleavage Reactions of Monothioimides | Acta Crystallographica Section C | 1,998 | 54 | 1 | 103 | 107 | 10.1107/S0108270197011645 | 0.7107 | MoKα | null | 0.046 | null | null | null | 0.122 | null | null | null | null | null | 1.03 | null | null | has coordinates | Fu, Tai Y.; Scheffer, John R.; Trotter, James
Photocleavage Reactions of Monothioimides
Acta Crystallographica Section C
54(1)
(1998)
103-107 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/69/2006916.cif $
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2,006,917 | 10.338 | 0.003 | 18.947 | 0.001 | 8.548 | 0.001 | 90 | null | 90 | null | 90 | null | 1,674.3 | 0.5 | 294 | null | 294 | null | null | null | null | null | 5 | P 21 21 21 | P 2ac 2ab | 19 | - C20 H15 N O S - | - C20 H15 N O S - | - C80 H60 N4 O4 S4 - | 4 | 1 | FG1356 | Fu, Tai Y.; Scheffer, John R.; Trotter, James | <i>N</i>-Phenyl-<i>N</i>-(phenylthioxomethyl)benzamide | Acta Crystallographica Section C | 1,998 | 54 | 1 | 101 | 102 | 10.1107/S0108270197011244 | 1.5418 | CuKα | null | 0.042 | null | null | null | 0.14 | null | null | null | null | null | 2.73 | null | null | has coordinates | Fu, Tai Y.; Scheffer, John R.; Trotter, James
<i>N</i>-Phenyl-<i>N</i>-(phenylthioxomethyl)benzamide
Acta Crystallographica Section C
54(1)
(1998)
101-102 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/69/2006917.cif $
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2,006,918 | 11.6819 | 0.0014 | 15.2304 | 0.0016 | 16.349 | 0.002 | 90 | null | 107.548 | 0.01 | 90 | null | 2,773.5 | 0.6 | 173 | 2 | 173 | 2 | null | null | null | null | 6 | P 1 21/n 1 | -P 2yn | 14 | Bis-μ-[methylenebis(diphenylphosphine)]disilver(I) Bisperchlorate Bis(dichloromethane) Solvate | - C52 H48 Ag2 Cl6 O8 P4 - | - C52 H48 Ag2 Cl6 O8 P4 - | - C104 H96 Ag4 Cl12 O16 P8 - | 2 | 0.5 | FG1371 | Ahrens, Birte; Jones, Peter G. | Bis[μ-methylenebis(diphenylphosphine)-<i>P</i>:<i>P</i>']disilver(I) Diperchlorate Bis(dichloromethane) Solvate | Acta Crystallographica Section C | 1,998 | 54 | 1 | 16 | 18 | 10.1107/S0108270197011657 | 0.71073 | MoKα | 0.0678 | 0.0358 | null | 0.073 | 0.0671 | null | null | null | 0.863 | 1.003 | 1.003 | null | null | null | has coordinates | Ahrens, Birte; Jones, Peter G.
Bis[μ-methylenebis(diphenylphosphine)-<i>P</i>:<i>P</i>']disilver(I) Diperchlorate Bis(dichloromethane) Solvate
Acta Crystallographica Section C
54(1)
(1998)
16-18 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/69/2006918.cif $
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2,006,919 | 23.882 | 0.004 | 8.3285 | 0.0012 | 20.338 | 0.003 | 90 | null | 90 | null | 90 | null | 4,045.3 | 1.1 | 173 | 2 | 173 | 2 | null | null | null | null | 6 | P n a 21 | P 2c -2n | 33 | Tetrakis(acetonitrilo)copper(I) Tetrafluoroborate | - C8 H12 B Cu F4 N4 - | - C8 H12 B Cu F4 N4 - | - C96 H144 B12 Cu12 F48 N48 - | 12 | 3 | FG1379 | Jones, Peter G.; Crespo, Olga | Tetrakis(acetonitrile-<i>N</i>)copper(I) Tetrafluoroborate | Acta Crystallographica Section C | 1,998 | 54 | 1 | 18 | 20 | 10.1107/S0108270197013322 | 0.71073 | MoKα | 0.0745 | 0.0437 | null | 0.0907 | 0.0834 | null | null | null | 0.931 | 1.055 | 1.055 | null | null | null | has coordinates | Jones, Peter G.; Crespo, Olga
Tetrakis(acetonitrile-<i>N</i>)copper(I) Tetrafluoroborate
Acta Crystallographica Section C
54(1)
(1998)
18-20 | 301,791 | 2025-08-18 | 23:15:30 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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