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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
2,001,075 | 21.078 | 0.001 | 7.036 | 0.002 | 19.603 | 0.001 | 90 | null | 109.05 | 0.01 | 90 | null | 2,748 | 0.8 | null | null | null | null | null | null | null | null | 5 | C 1 2 1 | C 2y | null | 1-(3-Deoxy-3-phenylseleno-2,5-di-O-pivaloyl-β-D-xylofuranosyl)uracil | - C25 H23 N2 O7 Se - | - C25 H32 N2 O7 Se - | - C100 H128 N8 O28 Se4 - | 4 | 1 | AS0514 | Yamaguchi, K.; Matsumura, G.; Haraguchi, K.; Itoh, Y.; Tanaka, H.; Miyasaka, T. | Structure of 1-(3-deoxy-3-phenylseleno-2,5-di-<i>O</i>-pivaloyl-β-<small>D</small>-xylofuranosyl)uracil | Acta Crystallographica Section C | 1,992 | 48 | 2 | 387 | 389 | 10.1107/S0108270191009101 | 1.5405 | Cu | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Yamaguchi, K.; Matsumura, G.; Haraguchi, K.; Itoh, Y.; Tanaka, H.; Miyasaka, T.
Structure of 1-(3-deoxy-3-phenylseleno-2,5-di-<i>O</i>-pivaloyl-β-<small>D</small>-xylofuranosyl)uracil
Acta Crystallographica Section C
48(2)
(1992)
387-389 | 199,618 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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7,205,713 | 15.8642 | 0.0002 | 8.3329 | 0.0001 | 18.4437 | 0.0003 | 90 | null | 106.542 | 0.001 | 90 | null | 2,337.25 | 0.06 | 180 | 2 | 180 | 2 | null | null | null | null | 6 | P 1 21/c 1 | -P 2ybc | 14 | triphenylphosphine oxide:1,4-diiodotetrafluorobenzene 1:1 | triphenylphosphine oxide:1,4-diiodotetrafluorobenzene 1:1 | - C24 H15 F4 I2 O P - | - C24 H15 F4 I2 O P - | - C96 H60 F16 I8 O4 P4 - | 4 | 1 | Cinčić, Dominik; Friščić, Tomislav; Jones, William | Experimental and database studies of three-centered halogen bonds with bifurcated acceptors present in molecular crystals, cocrystals and salts | CrystEngComm | 2,011 | 13 | 9 | 3224 | 10.1039/c0ce00699h | 0.71073 | MoKα | 0.0694 | 0.0381 | null | null | 0.0709 | 0.0801 | null | null | null | null | null | 1.027 | null | null | has coordinates | Cinčić, Dominik; Friščić, Tomislav; Jones, William
Experimental and database studies of three-centered halogen bonds with bifurcated acceptors present in molecular crystals, cocrystals and salts
CrystEngComm
13(9)
(2011)
3224 | 301,863 | 2025-08-22 | 13:07:26 | #------------------------------------------------------------------------------
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2,001,076 | 6.72 | 0.003 | 11.618 | 0.006 | 30.452 | 0.012 | 90 | null | 90 | null | 90 | null | 2,377.5 | 1.9 | null | null | null | null | null | null | null | null | 3 | P 21 21 21 | P 2ac 2ab | null | - C32 H22 O4 - | - C32 H22 O4 - | - C128 H88 O16 - | 4 | 1 | CR0337 | Bryant, Jnr, G. L.; Nye, S. A. | Structure of terphenyldiol dibenzoate | Acta Crystallographica Section C | 1,992 | 48 | 2 | 389 | 391 | 10.1107/S0108270191008247 | 0.71069 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Bryant, Jnr, G. L.; Nye, S. A.
Structure of terphenyldiol dibenzoate
Acta Crystallographica Section C
48(2)
(1992)
389-391 | 301,791 | 2025-08-18 | 23:15:00 | #------------------------------------------------------------------------------
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2,001,077 | 5.049 | 0.001 | 13.677 | 0.002 | 8.664 | 0.001 | 90 | null | 94.92 | 0.01 | 90 | null | 596.09 | 0.16 | null | null | null | null | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | - C2 H7 N O5 Se - | - C2 H7 N O5 Se - | - C8 H28 N4 O20 Se4 - | 4 | 1 | LI0090 | Ondráček, J.; Walzelová, M.; Mička, Z.; Novotný, J. | Structure of glycine-selenious acid (1/1) | Acta Crystallographica Section C | 1,992 | 48 | 2 | 391 | 392 | 10.1107/S0108270191008235 | 0.71073 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Ondráček, J.; Walzelová, M.; Mička, Z.; Novotný, J.
Structure of glycine-selenious acid (1/1)
Acta Crystallographica Section C
48(2)
(1992)
391-392 | 301,791 | 2025-08-18 | 23:15:00 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,001,078 | 20.611 | 0.007 | 9.452 | 0.005 | 7.856 | 0.004 | 98.52 | 0.03 | 96.05 | 0.02 | 93 | 0.3 | 1,501.6 | 1.3 | null | null | null | null | null | null | null | null | 5 | P -1 | -P 1 | 2 | - C15 H11 N O4 S2 - | - C15 H11 N O4 S2 - | - C60 H44 N4 O16 S8 - | 4 | 2 | AL0486 | van Veggel, F. C. J. M.; Harkema, S. | Structure of 2-[(4-cyanophenyl)methylene]-1,3-dithiole-4,5-dicarboxylic acid, dimethyl ester | Acta Crystallographica Section C | 1,992 | 48 | 2 | 393 | 395 | 10.1107/S0108270191009083 | 0.7107 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | van Veggel, F. C. J. M.; Harkema, S.
Structure of 2-[(4-cyanophenyl)methylene]-1,3-dithiole-4,5-dicarboxylic acid, dimethyl ester
Acta Crystallographica Section C
48(2)
(1992)
393-395 | 301,791 | 2025-08-18 | 23:15:00 | #------------------------------------------------------------------------------
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2,001,079 | 11.319 | 0.003 | 6.5115 | 0.0015 | 18.105 | 0.005 | 90 | null | 105.66 | 0.02 | 90 | null | 1,284.9 | 0.6 | null | null | null | null | null | null | null | null | 3 | P 1 21/n 1 | -P 2yn | 14 | - C14 H14 O5 - | - C14 H14 O5 - | - C56 H56 O20 - | 4 | 1 | CR0352 | Hynes, R. C. | Structure of methyl 2-(2,5-dihydro-2-oxo-3-phenyl-5-furyl)lactate | Acta Crystallographica Section C | 1,992 | 48 | 2 | 395 | 396 | 10.1107/S0108270191008399 | 1.54056 | Cu | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Hynes, R. C.
Structure of methyl 2-(2,5-dihydro-2-oxo-3-phenyl-5-furyl)lactate
Acta Crystallographica Section C
48(2)
(1992)
395-396 | 301,791 | 2025-08-18 | 23:15:00 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,001,080 | 7.139 | 0.006 | 15.823 | 0.002 | 12.472 | 0.005 | 90 | null | 103.12 | 0.09 | 90 | null | 1,372 | 1 | null | null | null | null | null | null | null | null | 3 | P 1 21/c 1 | -P 2ybc | null | - C18 H16 O - | - C20 H18 O - | - C80 H72 O4 - | 4 | 1 | CR0362 | Ariel, S.; Chen, J.; Scheffer, J. R.; Trotter, J. | Structure of 4,4-diphenylcyclohex-2-en-1-one (monoclinic form) | Acta Crystallographica Section C | 1,992 | 48 | 2 | 400 | 402 | 10.1107/S0108270191009745 | 1.54056 | Cu | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Ariel, S.; Chen, J.; Scheffer, J. R.; Trotter, J.
Structure of 4,4-diphenylcyclohex-2-en-1-one (monoclinic form)
Acta Crystallographica Section C
48(2)
(1992)
400-402 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
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2,001,081 | 7.139 | 0.006 | 15.823 | 0.002 | 12.472 | 0.005 | 90 | null | 103.12 | 0.09 | 90 | null | 1,372 | 1 | null | null | null | null | null | null | null | null | 3 | P 1 21/c 1 | -P 2ybc | null | - C18 H16 O - | - C18 H16 O - | - C72 H64 O4 - | 4 | 1 | CR0362 | Ariel, S.; Chen, J.; Scheffer, J. R.; Trotter, J. | Structure of 4,4-diphenylcyclohex-2-en-1-one (monoclinic form) | Acta Crystallographica Section C | 1,992 | 48 | 2 | 400 | 402 | 10.1107/S0108270191009745 | 0.7093 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Ariel, S.; Chen, J.; Scheffer, J. R.; Trotter, J.
Structure of 4,4-diphenylcyclohex-2-en-1-one (monoclinic form)
Acta Crystallographica Section C
48(2)
(1992)
400-402 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
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7,205,712 | 14.3077 | 0.0003 | 7.6892 | 0.0002 | 20.0916 | 0.0004 | 90 | null | 125.881 | 0.001 | 90 | null | 1,790.92 | 0.07 | 180 | 2 | 180 | 2 | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | phenazine:tetrafluoro-1,2-diiodobenzene 1/1 | phenazine:tetrafluoro-1,2-diiodobenzene 1/1 | - C18 H8 F4 I2 N2 - | - C18 H8 F4 I2 N2 - | - C72 H32 F16 I8 N8 - | 4 | 1 | Cinčić, Dominik; Friščić, Tomislav; Jones, William | Experimental and database studies of three-centered halogen bonds with bifurcated acceptors present in molecular crystals, cocrystals and salts | CrystEngComm | 2,011 | 13 | 9 | 3224 | 10.1039/c0ce00699h | 0.71073 | MoKα | 0.0766 | 0.0412 | null | null | 0.104 | 0.1259 | null | null | null | null | null | 1.081 | null | null | has coordinates | Cinčić, Dominik; Friščić, Tomislav; Jones, William
Experimental and database studies of three-centered halogen bonds with bifurcated acceptors present in molecular crystals, cocrystals and salts
CrystEngComm
13(9)
(2011)
3224 | 301,863 | 2025-08-22 | 13:07:26 | #------------------------------------------------------------------------------
#$Date: 2025-08-22 15:50:14 +0300 (Fri, 22 Aug 2025) $
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2,001,082 | 6.922 | 0.002 | 16.733 | 0.002 | 10.07 | 0.003 | 90 | null | 96.88 | 0.02 | 90 | null | 1,158 | 0.5 | null | null | null | null | null | null | null | null | 4 | P 1 21 1 | P 2yb | 4 | - C22 H38 O6 S - | - C22 H38 O6 S - | - C44 H76 O12 S2 - | 2 | 1 | HA0072 | Feneau-Dupont, J.; Declercq, J.-P.; Huart, C. | Structure of [(1<i>S</i>)-1-[(1'<i>S</i>)-3'-oxocyclohexyl]-3,3-dimethoxy-1-propyl] [(1<i>S</i>,2<i>S</i>,3<i>R</i>)-1,3,7,7-tetramethyl-2-hydroxy-3-bicyclo[2.2.1]heptyl] sulfone | Acta Crystallographica Section C | 1,992 | 48 | 2 | 402 | 404 | 10.1107/S0108270191008545 | 1.54178 | Cu | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Feneau-Dupont, J.; Declercq, J.-P.; Huart, C.
Structure of [(1<i>S</i>)-1-[(1'<i>S</i>)-3'-oxocyclohexyl]-3,3-dimethoxy-1-propyl] [(1<i>S</i>,2<i>S</i>,3<i>R</i>)-1,3,7,7-tetramethyl-2-hydroxy-3-bicyclo[2.2.1]heptyl] sulfone
Acta Crystallographica Section C
48(2)
(1992)
402-404 | 301,791 | 2025-08-18 | 23:15:00 | #------------------------------------------------------------------------------
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2,001,083 | 12.947 | 0.003 | 13.814 | 0.004 | 16.186 | 0.005 | 90 | null | 108.61 | 0.03 | 90 | null | 2,743.5 | 1.4 | null | null | null | null | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | null | - C24 H45 N3 O4 Si - | - C24 H45 N3 O4 Si - | - C96 H180 N12 O16 Si4 - | 4 | 1 | HA0075 | Tinant, B.; Declercq, J.-P.; Henderson, P. | <i>N</i>-{2-[(1-Cyanocyclohexyl)(<i>tert</i>-butyldimethylsilyloxy)amino]propionyl}-2,5-bis(methoxymethyl)pyrrolidine and <i>N</i>-(2-anilinopropionyl)-2,5-bis(methoxymethyl)pyrrolidine | Acta Crystallographica Section C | 1,992 | 48 | 2 | 404 | 406 | 10.1107/S0108270191009460 | 1.5418 | Cu | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Tinant, B.; Declercq, J.-P.; Henderson, P.
<i>N</i>-{2-[(1-Cyanocyclohexyl)(<i>tert</i>-butyldimethylsilyloxy)amino]propionyl}-2,5-bis(methoxymethyl)pyrrolidine and <i>N</i>-(2-anilinopropionyl)-2,5-bis(methoxymethyl)pyrrolidine
Acta Crystallographica Section C
48(2)
(1992)
404-406 | 301,791 | 2025-08-18 | 23:15:00 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,001,084 | 9.579 | 0.002 | 9.601 | 0.001 | 18.826 | 0.002 | 90 | null | 103.25 | 0.02 | 90 | null | 1,685.3 | 0.5 | null | null | null | null | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | null | - C17 H26 N2 O3 - | - C17 H26 N2 O3 - | - C68 H104 N8 O12 - | 4 | 1 | HA0075 | Tinant, B.; Declercq, J.-P.; Henderson, P. | <i>N</i>-{2-[(1-Cyanocyclohexyl)(<i>tert</i>-butyldimethylsilyloxy)amino]propionyl}-2,5-bis(methoxymethyl)pyrrolidine and <i>N</i>-(2-anilinopropionyl)-2,5-bis(methoxymethyl)pyrrolidine | Acta Crystallographica Section C | 1,992 | 48 | 2 | 404 | 406 | 10.1107/S0108270191009460 | 0.71069 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Tinant, B.; Declercq, J.-P.; Henderson, P.
<i>N</i>-{2-[(1-Cyanocyclohexyl)(<i>tert</i>-butyldimethylsilyloxy)amino]propionyl}-2,5-bis(methoxymethyl)pyrrolidine and <i>N</i>-(2-anilinopropionyl)-2,5-bis(methoxymethyl)pyrrolidine
Acta Crystallographica Section C
48(2)
(1992)
404-406 | 301,791 | 2025-08-18 | 23:15:00 | #------------------------------------------------------------------------------
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7,205,711 | 9.3792 | 0.0001 | 13.262 | 0.0002 | 20.959 | 0.0004 | 74.809 | 0.001 | 88.358 | 0.001 | 78.396 | 0.001 | 2,463.71 | 0.07 | 180 | 2 | 180 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | acridine:tetrafluoro-1,2-diiodobenzene 7/4 | acridine:tetrafluoro-1,2-diiodobenzene 7/4 | - C115 H63 F16 I8 N7 - | - C115 H63 F16 I8 N7 - | - C115 H63 F16 I8 N7 - | 1 | 0.5 | Cinčić, Dominik; Friščić, Tomislav; Jones, William | Experimental and database studies of three-centered halogen bonds with bifurcated acceptors present in molecular crystals, cocrystals and salts | CrystEngComm | 2,011 | 13 | 9 | 3224 | 10.1039/c0ce00699h | 0.71073 | MoKα | 0.0829 | 0.0438 | null | null | 0.0805 | 0.0923 | null | null | null | null | null | 1.013 | null | null | has coordinates | Cinčić, Dominik; Friščić, Tomislav; Jones, William
Experimental and database studies of three-centered halogen bonds with bifurcated acceptors present in molecular crystals, cocrystals and salts
CrystEngComm
13(9)
(2011)
3224 | 180,388 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,001,085 | 6.791 | 0.005 | 9.107 | 0.006 | 10.683 | 0.007 | 99.84 | 0.05 | 99.19 | 0.06 | 110.56 | 0.06 | 592 | 0.8 | null | null | null | null | null | null | null | null | 5 | P -1 | -P 1 | 2 | - Cs3 H4 N27 Nd2 O2 - | - Cs3 H4 N27 Nd2 O2 - | - Cs3 H4 N27 Nd2 O2 - | 1 | 0.5 | MU0250 | Starynowicz, P. | Structure of tricaesium diaquanonaazidedineodymate(III) | Acta Crystallographica Section C | 1,992 | 48 | 1 | 4 | 5 | 10.1107/S0108270191008430 | 0.71069 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Starynowicz, P.
Structure of tricaesium diaquanonaazidedineodymate(III)
Acta Crystallographica Section C
48(1)
(1992)
4-5 | 278,247 | 2022-09-28 | 15:09:31 | #------------------------------------------------------------------------------
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2,001,086 | 5.4709 | 0.0009 | 5.683 | 0.0006 | 8.0734 | 0.0012 | 90 | null | 88.964 | 0.007 | 90 | null | 250.97 | 0.06 | null | null | null | null | null | null | null | null | 3 | P 1 21/n 1 | -P 2yn | 14 | - F6 Mn Na3 - | - F6 Mn Na3 - | - F12 Mn2 Na6 - | 2 | 0.5 | AL0476 | Englich, U.; Massa, W.; Tressaud, A. | Structure of trisodium hexafluoromanganate(III) | Acta Crystallographica Section C | 1,992 | 48 | 1 | 6 | 8 | 10.1107/S0108270191009071 | 0.7107 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Englich, U.; Massa, W.; Tressaud, A.
Structure of trisodium hexafluoromanganate(III)
Acta Crystallographica Section C
48(1)
(1992)
6-8 | 278,324 | 2022-10-03 | 14:41:53 | #------------------------------------------------------------------------------
#$Date: 2022-10-03 17:40:12 +0300 (Mon, 03 Oct 2022) $
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2,001,087 | 7.052 | 0.002 | 7.052 | 0.002 | 11.15 | 0.003 | 90 | null | 90 | null | 90 | null | 554.5 | 0.3 | null | null | null | null | null | null | null | null | 4 | I 4/m m m | null | - Ba2 Cu2 O12 Si4 - | - Ba2 Cu2 O12 Si4 - | - Ba4 Cu4 O24 Si8 - | 2 | 0.0625 | AB0183 | Janczak, J.; Kubiak, R. | Structure of the cyclic barium copper silicate Ba~2~Cu~2~[Si~4~O~12~] at 300 K | Acta Crystallographica Section C | 1,992 | 48 | 1 | 8 | 10 | 10.1107/S0108270191002354 | 0.71073 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Janczak, J.; Kubiak, R.
Structure of the cyclic barium copper silicate Ba~2~Cu~2~[Si~4~O~12~] at 300 K
Acta Crystallographica Section C
48(1)
(1992)
8-10 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,001,088 | 11.55 | 0.01 | 7.877 | 0.002 | 16.866 | 0.005 | 90 | null | 90 | null | 90 | null | 1,534.5 | 1.5 | null | null | null | null | null | null | null | null | 6 | P c a 21 | P 2c -2ac | null | - C9 H16 Cu N4 O6 S - | - C9 H16 Cu N4 O6 S - | - C36 H64 Cu4 N16 O24 S4 - | 4 | 1 | LI0094 | Haanstra, W. G.; Driessen, W. L.; Reedijk, J. | Structure of [1-(3,5-dimethyl-1-pyrazolyl)-3-thiapentane-<i>N</i>,<i>S</i>]bis(nitrato-<i>O</i>,<i>O</i>)copper(II) | Acta Crystallographica Section C | 1,992 | 48 | 1 | 14 | 16 | 10.1107/S0108270191009204 | 0.71073 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Haanstra, W. G.; Driessen, W. L.; Reedijk, J.
Structure of [1-(3,5-dimethyl-1-pyrazolyl)-3-thiapentane-<i>N</i>,<i>S</i>]bis(nitrato-<i>O</i>,<i>O</i>)copper(II)
Acta Crystallographica Section C
48(1)
(1992)
14-16 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,001,089 | 17.95 | 0.005 | 17.95 | null | 10.907 | 0.002 | 90 | null | 90 | null | 90 | null | 3,514.3 | 1.2 | null | null | null | null | null | null | null | null | 6 | I -4 2 d | I -4 2bw | null | - C20 H49 Cl6 N8 O0.5 Zn3 - | - C20 H48 Cl6 N8 O Zn3 - | - C80 H192 Cl24 N32 O4 Zn12 - | 4 | 0.25 | MU0269 | Alcock, N. W.; Berry, A.; Moore, P. | Structure of a complex of 1,4,8,11-tetraazacyclotetradecane (cyclam) with zinc(II) chloride | Acta Crystallographica Section C | 1,992 | 48 | 1 | 16 | 19 | 10.1107/S0108270191008454 | 0.71069 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Alcock, N. W.; Berry, A.; Moore, P.
Structure of a complex of 1,4,8,11-tetraazacyclotetradecane (cyclam) with zinc(II) chloride
Acta Crystallographica Section C
48(1)
(1992)
16-19 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,001,090 | 10.404 | 0.004 | 16.454 | 0.005 | 13.539 | 0.005 | 90 | null | 103.99 | 0.03 | 90 | null | 2,249 | 1.4 | null | null | null | null | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | - C51 H41 Cu2 N5 O8 - | - C54 Cu2 N6 O10 - | - C108 Cu4 N12 O20 - | 2 | 0.5 | HE0010 | Liu, S.-X. | Structure of a new type of copper carboxylate complex: [Cu(C~14~H~8~O~3~)(C~10~H~8~N~2~)]~2~.C~3~H~7~N.H~2~O | Acta Crystallographica Section C | 1,992 | 48 | 1 | 22 | 24 | 10.1107/S0108270191005383 | 0.71069 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Liu, S.-X.
Structure of a new type of copper carboxylate complex: [Cu(C~14~H~8~O~3~)(C~10~H~8~N~2~)]~2~.C~3~H~7~N.H~2~O
Acta Crystallographica Section C
48(1)
(1992)
22-24 | 278,324 | 2022-10-03 | 14:41:53 | #------------------------------------------------------------------------------
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2,001,091 | 12.884 | 0.006 | 12.012 | 0.006 | 14.442 | 0.007 | 90 | null | 101.45 | 0.03 | 90 | null | 2,190.6 | 1.8 | null | null | null | null | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | - C14 H14 Fe O2 - | - C14 H14 Fe O2 - | - C112 H112 Fe8 O16 - | 8 | 2 | CR0317 | Geib, S. J.; Rao, S. J.; Petter, R. C. | Structure of 1,1':2,2'-bis(oxybismethylene)ferrocene | Acta Crystallographica Section C | 1,992 | 48 | 1 | 25 | 27 | 10.1107/S0108270191004250 | 0.71073 | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Geib, S. J.; Rao, S. J.; Petter, R. C.
Structure of 1,1':2,2'-bis(oxybismethylene)ferrocene
Acta Crystallographica Section C
48(1)
(1992)
25-27 | 278,324 | 2022-10-03 | 14:41:53 | #------------------------------------------------------------------------------
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7,205,710 | 6.3597 | 0.0002 | 8.6865 | 0.0002 | 11.2216 | 0.0003 | 69.182 | 0.001 | 89.501 | 0.001 | 81.866 | 0.001 | 573.04 | 0.03 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | 1,4-DIIODOTETRAFLUOROBENZENE - 1,4-DITHIANE 2/1 | 1,4-DIIODOTETRAFLUOROBENZENE - 1,4-DITHIANE 2/1 | - C16 H8 F8 I4 S2 - | - C16 H8 F8 I4 S2 - | - C16 H8 F8 I4 S2 - | 1 | 0.5 | Cinčić, Dominik; Friščić, Tomislav; Jones, William | Experimental and database studies of three-centered halogen bonds with bifurcated acceptors present in molecular crystals, cocrystals and salts | CrystEngComm | 2,011 | 13 | 9 | 3224 | 10.1039/c0ce00699h | 0.71073 | MoKα | 0.052 | 0.0368 | null | null | 0.0893 | 0.1017 | null | null | null | null | null | 1.062 | null | null | has coordinates | Cinčić, Dominik; Friščić, Tomislav; Jones, William
Experimental and database studies of three-centered halogen bonds with bifurcated acceptors present in molecular crystals, cocrystals and salts
CrystEngComm
13(9)
(2011)
3224 | 301,863 | 2025-08-22 | 13:07:26 | #------------------------------------------------------------------------------
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2,001,092 | 8.586 | 0.006 | 8.79 | 0.008 | 8.77 | 0.006 | 68.23 | 0.06 | 62.42 | 0.05 | 86.08 | 0.07 | 540.5 | 0.8 | null | null | null | null | null | null | null | null | 6 | P -1 | -P 1 | 2 | - C24 H20 Cl2 Cu N4 O4 - | - C24 H20 Cl2 Cu N4 O4 - | - C24 H20 Cl2 Cu N4 O4 - | 1 | 0.5 | MU0249 | Kožíšek, J.; Baran, P.; Valigura, D. | Structure of dichlorobis(1,10-phenanthroline <i>N</i>-oxide)copper(II) dihydrate | Acta Crystallographica Section C | 1,992 | 48 | 1 | 31 | 33 | 10.1107/S0108270191009642 | 0.71069 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Kožíšek, J.; Baran, P.; Valigura, D.
Structure of dichlorobis(1,10-phenanthroline <i>N</i>-oxide)copper(II) dihydrate
Acta Crystallographica Section C
48(1)
(1992)
31-33 | 301,791 | 2025-08-18 | 23:15:00 | #------------------------------------------------------------------------------
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2,001,093 | 15.011 | 0.003 | 11.316 | 0.004 | 16.155 | 0.002 | 90 | null | 106.55 | 0.01 | 90 | null | 2,630.5 | 1.1 | null | null | null | null | null | null | null | null | 7 | P 1 21/n 1 | -P 2yn | 14 | - C23 H24 I2 N O2 Os P - | - C23 H24 I3 N O2 Os P - | - C92 H96 I12 N4 O8 Os4 P4 - | 4 | 1 | AS0511 | Lu, K. L.; Lin, Y. C.; Cheng, M. C.; Wang, Y. | Structure of an aminodicarbonyldiiodo(triphenylphosphine)osmium complex | Acta Crystallographica Section C | 1,992 | 48 | 1 | 33 | 35 | 10.1107/S0108270191009149 | 0.7107 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Lu, K. L.; Lin, Y. C.; Cheng, M. C.; Wang, Y.
Structure of an aminodicarbonyldiiodo(triphenylphosphine)osmium complex
Acta Crystallographica Section C
48(1)
(1992)
33-35 | 278,324 | 2022-10-03 | 14:41:53 | #------------------------------------------------------------------------------
#$Date: 2022-10-03 17:40:12 +0300 (Mon, 03 Oct 2022) $
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2,001,094 | 14.027 | 0.002 | 21.127 | 0.003 | 12.229 | 0.002 | 90 | null | 100.56 | 0.01 | 90 | null | 3,562.7 | 0.9 | null | null | null | null | null | null | null | null | 6 | P 1 21/n 1 | -P 2yn | 14 | - C39 H30 F6 O2 P2 Pt - | - C39 F6 O2 P2 Pt - | - C156 F24 O8 P8 Pt4 - | 4 | 1 | CD0038 | Hynes, R. C.; Willis, C. J.; Payne, N. C. | A <i>gem</i>-diolato complex of platinum: structure of [{P(C~6~H~5~)~3~}~2~Pt{O~2~C(CF~3~)~2~}] | Acta Crystallographica Section C | 1,992 | 48 | 1 | 42 | 45 | 10.1107/S0108270191009265 | 0.71073 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Hynes, R. C.; Willis, C. J.; Payne, N. C.
A <i>gem</i>-diolato complex of platinum: structure of [{P(C~6~H~5~)~3~}~2~Pt{O~2~C(CF~3~)~2~}]
Acta Crystallographica Section C
48(1)
(1992)
42-45 | 278,324 | 2022-10-03 | 14:41:53 | #------------------------------------------------------------------------------
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2,001,095 | 13.482 | 0.001 | 15.926 | 0.004 | 9.827 | 0.002 | 90 | null | 90 | null | 90 | null | 2,110 | 0.7 | null | null | null | null | null | null | null | null | 6 | P 21 21 21 | P 2ac 2ab | null | - C20 H28 Cl2 N P Pt - | - C20 H31 Cl2 N P Pt - | - C80 H124 Cl8 N4 P4 Pt4 - | 4 | 1 | CD0057 | Payne, N. C.; Tobin, G. R. | A chiral aminophosphine complex of platinum: structure of <i>cis</i>-dichloro[(1<i>S</i>)-<i>N</i>,<i>N</i>-dimethyl-1-{2-[(<i>S</i>)-<i>tert</i>-butylphenylphosphino]phenyl}ethylamine-<i>N</i>,<i>P</i>]platinum(II) | Acta Crystallographica Section C | 1,992 | 48 | 1 | 45 | 48 | 10.1107/S0108270191009216 | 0.71073 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Payne, N. C.; Tobin, G. R.
A chiral aminophosphine complex of platinum: structure of <i>cis</i>-dichloro[(1<i>S</i>)-<i>N</i>,<i>N</i>-dimethyl-1-{2-[(<i>S</i>)-<i>tert</i>-butylphenylphosphino]phenyl}ethylamine-<i>N</i>,<i>P</i>]platinum(II)
Acta Crystallographica Section C
48(1)
(1992)
45-48 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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7,205,709 | 18.372 | 0.008 | 19.143 | 0.008 | 10.534 | 0.005 | 90 | null | 124.353 | 0.01 | 90 | null | 3,059 | 2 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | C 1 2/c 1 | -C 2yc | 15 | - C10.5 H19.5 N1.5 O7.5 P Zn - | - C10.5 H16 N1.5 O7.5 P Zn - | - C84 H128 N12 O60 P8 Zn8 - | 8 | 1 | Chen, Zhenxia; Ling, Yun; Yang, Haiyang; Guo, Yufen; Weng, Linhong; Zhou, Yaming | Two-step synthesis, structure and adsorption property of a dynamic zinc phosphonocarboxylate framework | CrystEngComm | 2,011 | 13 | 10 | 3378 | 10.1039/c0ce00687d | 0.71073 | MoKα | 0.0537 | 0.0408 | null | null | 0.1098 | 0.1204 | null | null | null | null | null | 1.07 | null | null | has coordinates | Chen, Zhenxia; Ling, Yun; Yang, Haiyang; Guo, Yufen; Weng, Linhong; Zhou, Yaming
Two-step synthesis, structure and adsorption property of a dynamic zinc phosphonocarboxylate framework
CrystEngComm
13(10)
(2011)
3378 | 176,453 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,001,096 | 18.402 | 0.017 | 16.861 | 0.019 | 16.328 | 0.016 | 90 | null | 117.04 | 0.07 | 90 | null | 4,512 | 8 | null | null | null | null | null | null | null | null | 5 | C 1 2/c 1 | null | - C18 H32 N2 O4 Sn - | - C18 H31 N2 O4 Sn - | - C144 H248 N16 O32 Sn8 - | 8 | 1 | MU0200 | Kellö, E.; Vrábel, V.; Rattay, V.; Sivý, J.; Kožíšek, J. | Structure of tri-<i>n</i>-butyltin(IV) 1-uracilacetate | Acta Crystallographica Section C | 1,992 | 48 | 1 | 51 | 53 | 10.1107/S0108270191008934 | 0.71069 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Kellö, E.; Vrábel, V.; Rattay, V.; Sivý, J.; Kožíšek, J.
Structure of tri-<i>n</i>-butyltin(IV) 1-uracilacetate
Acta Crystallographica Section C
48(1)
(1992)
51-53 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
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2,001,097 | 8.759 | 0.003 | 13.037 | 0.003 | 15.366 | 0.004 | 90 | null | 90 | null | 90 | null | 1,754.7 | 0.9 | null | null | null | null | null | null | null | null | 4 | P 21 21 21 | P 2ac 2ab | null | - C15 H20 B9 Co - | - C15 H20 B9 Co - | - C60 H80 B36 Co4 - | 4 | 1 | MU0270 | Lewis, Z. G.; Welch, A. J. | Synthesis and structure of 3-fluorenyl-3-cobalta-1,2-dicarba-<i>closo</i>-nonaborane(11), 3-(η^5^-C~13~H~9~)-3,1,2-<i>closo</i>-CoC~2~B~9~H~11~ | Acta Crystallographica Section C | 1,992 | 48 | 1 | 53 | 57 | 10.1107/S0108270191009058 | 0.71069 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Lewis, Z. G.; Welch, A. J.
Synthesis and structure of 3-fluorenyl-3-cobalta-1,2-dicarba-<i>closo</i>-nonaborane(11), 3-(η^5^-C~13~H~9~)-3,1,2-<i>closo</i>-CoC~2~B~9~H~11~
Acta Crystallographica Section C
48(1)
(1992)
53-57 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,001,098 | 18.097 | 0.004 | 9.714 | 0.002 | 13.845 | 0.001 | 90 | null | 92.46 | 0.01 | 90 | null | 2,431.6 | 0.8 | null | null | null | null | null | null | null | null | 6 | C 1 2/c 1 | -C 2yc | null | - C8 H17 Cd Cl2 N O2 - | - C8 H17 Cd Cl2 N O2 - | - C64 H136 Cd8 Cl16 N8 O16 - | 8 | 1 | AS0497 | Chen, X.-M.; Mak, T. C. W.; Huang, W.-Y.; Lü, L. | Metal-betaine interactions. XI. Structure of <i>catena</i>-[μ-dichloro-(triethylammonioacetato)cadmium(II)] | Acta Crystallographica Section C | 1,992 | 48 | 1 | 57 | 59 | 10.1107/S0108270191008363 | 0.71073 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Chen, X.-M.; Mak, T. C. W.; Huang, W.-Y.; Lü, L.
Metal-betaine interactions. XI. Structure of <i>catena</i>-[μ-dichloro-(triethylammonioacetato)cadmium(II)]
Acta Crystallographica Section C
48(1)
(1992)
57-59 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,001,099 | 11.689 | 0.002 | 22.934 | 0.004 | 11.592 | 0.002 | 90 | null | 100.16 | 0.03 | 90 | null | 3,058.8 | 1 | null | null | null | null | null | null | null | null | 4 | C 1 2/c 1 | -C 2yc | 15 | - C18 H17 N O3 - | - C18 H17 N O3 - | - C144 H136 N8 O24 - | 8 | 1 | CR0281 | Chandrakantha, T. N.; Puttaraja; Nethaji, M. | Structure of ethyl 5-methoxy-3-phenyl-2-indolecarboxylate | Acta Crystallographica Section C | 1,992 | 48 | 1 | 60 | 62 | 10.1107/S0108270191002913 | 0.7107 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Chandrakantha, T. N.; Puttaraja; Nethaji, M.
Structure of ethyl 5-methoxy-3-phenyl-2-indolecarboxylate
Acta Crystallographica Section C
48(1)
(1992)
60-62 | 301,791 | 2025-08-18 | 23:15:00 | #------------------------------------------------------------------------------
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7,205,708 | 17.804 | 0.006 | 19.34 | 0.012 | 10.242 | 0.007 | 90 | null | 119.51 | 0.05 | 90 | null | 3,069 | 3 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | C 1 2/c 1 | -C 2yc | 15 | - C8 H9.5 N0.5 O5.5 P Zn - | - C8 H8 N0.5 O5.5 P Zn - | - C64 H64 N4 O44 P8 Zn8 - | 8 | 1 | Chen, Zhenxia; Ling, Yun; Yang, Haiyang; Guo, Yufen; Weng, Linhong; Zhou, Yaming | Two-step synthesis, structure and adsorption property of a dynamic zinc phosphonocarboxylate framework | CrystEngComm | 2,011 | 13 | 10 | 3378 | 10.1039/c0ce00687d | 0.71073 | MoKα | 0.0817 | 0.0695 | null | null | 0.1991 | 0.2115 | null | null | null | null | null | 1.08 | null | null | has coordinates | Chen, Zhenxia; Ling, Yun; Yang, Haiyang; Guo, Yufen; Weng, Linhong; Zhou, Yaming
Two-step synthesis, structure and adsorption property of a dynamic zinc phosphonocarboxylate framework
CrystEngComm
13(10)
(2011)
3378 | 176,453 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,001,100 | 12.795 | 0.002 | 13.178 | 0.002 | 11.092 | 0.002 | 90 | null | 90 | null | 90 | null | 1,870.2 | 0.5 | null | null | null | null | null | null | null | null | 3 | I b a m | -I 2 2c | null | - C10 H14 O3 - | - C10 H13 O3 - | - C80 H104 O24 - | 8 | 0.5 | CR0251 | Thompson, H. W.; Lalancette, R. A.; Vanderhoff, P. A. | 9-Oxobicyclo[3.3.1]nonane-1-carboxylic acid: structure and hydrogen-bonding pattern | Acta Crystallographica Section C | 1,992 | 48 | 1 | 66 | 70 | 10.1107/S010827019100330X | 1.5418 | Cu | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Thompson, H. W.; Lalancette, R. A.; Vanderhoff, P. A.
9-Oxobicyclo[3.3.1]nonane-1-carboxylic acid: structure and hydrogen-bonding pattern
Acta Crystallographica Section C
48(1)
(1992)
66-70 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,001,101 | 8.264 | 0.001 | 6.988 | 0.001 | 18.288 | 0.001 | 90 | null | 96.27 | 0.01 | 90 | null | 1,049.8 | 0.2 | null | null | null | null | null | null | null | null | 3 | P 1 21/n 1 | -P 2yn | 14 | - C10 H16 O4 - | - C10 H16 O4 - | - C40 H64 O16 - | 4 | 1 | AN0328 | Mackay, M. F.; Banwell, M. G.; Reum, M. E.; Richards, S. L. | Structures of three 2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxolan-4-ols | Acta Crystallographica Section C | 1,992 | 48 | 1 | 70 | 73 | 10.1107/S0108270191004456 | 1.5418 | Cu | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Mackay, M. F.; Banwell, M. G.; Reum, M. E.; Richards, S. L.
Structures of three 2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxolan-4-ols
Acta Crystallographica Section C
48(1)
(1992)
70-73 | 301,791 | 2025-08-18 | 23:15:00 | #------------------------------------------------------------------------------
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2,001,102 | 12.792 | 0.001 | 8.937 | 0.001 | 13.089 | 0.001 | 90 | null | 91.37 | 0.01 | 90 | null | 1,495.9 | 0.2 | null | null | null | null | null | null | null | null | 3 | P 1 21/n 1 | -P 2yn | 14 | - C16 H18 O5 - | - C16 H18 O5 - | - C64 H72 O20 - | 4 | 1 | AN0328 | Mackay, M. F.; Banwell, M. G.; Reum, M. E.; Richards, S. L. | Structures of three 2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxolan-4-ols | Acta Crystallographica Section C | 1,992 | 48 | 1 | 70 | 73 | 10.1107/S0108270191004456 | 1.5418 | Cu | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Mackay, M. F.; Banwell, M. G.; Reum, M. E.; Richards, S. L.
Structures of three 2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxolan-4-ols
Acta Crystallographica Section C
48(1)
(1992)
70-73 | 301,791 | 2025-08-18 | 23:15:00 | #------------------------------------------------------------------------------
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2,001,103 | 10.773 | 0.001 | 25.953 | 0.001 | 10.818 | 0.001 | 90 | null | 90 | null | 90 | null | 3,024.6 | 0.4 | null | null | null | null | null | null | null | null | 3 | P b c a | -P 2ac 2ab | null | - C16 H18 O5 - | - C16 H18 O5 - | - C128 H144 O40 - | 8 | 1 | AN0328 | Mackay, M. F.; Banwell, M. G.; Reum, M. E.; Richards, S. L. | Structures of three 2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxolan-4-ols | Acta Crystallographica Section C | 1,992 | 48 | 1 | 70 | 73 | 10.1107/S0108270191004456 | 1.5418 | Cu | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Mackay, M. F.; Banwell, M. G.; Reum, M. E.; Richards, S. L.
Structures of three 2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxolan-4-ols
Acta Crystallographica Section C
48(1)
(1992)
70-73 | 301,791 | 2025-08-18 | 23:15:00 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,001,104 | 8.229 | 0.002 | 10.654 | 0.003 | 10.668 | 0.002 | 92.93 | 0.02 | 93.01 | 0.02 | 107.5 | 0.2 | 888.6 | 1.1 | null | null | null | null | null | null | null | null | 3 | P -1 | -P 1 | 2 | - C10 H9 N3 - | - C10 H9 N3 - | - C40 H36 N12 - | 4 | 2 | CR0297 | Pyrka, G. J.; Pinkerton, A. A. | Structure of the high-temperature-melting polymorph of 2,2'-dipyridylamine | Acta Crystallographica Section C | 1,992 | 48 | 1 | 91 | 94 | 10.1107/S0108270191007163 | 0.71073 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Pyrka, G. J.; Pinkerton, A. A.
Structure of the high-temperature-melting polymorph of 2,2'-dipyridylamine
Acta Crystallographica Section C
48(1)
(1992)
91-94 | 301,791 | 2025-08-18 | 23:15:00 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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7,205,707 | 14.33 | 0.005 | 13.962 | 0.005 | 17.424 | 0.006 | 90 | null | 98.347 | 0.004 | 90 | null | 3,449 | 2 | 173 | 2 | 173 | 2 | null | null | null | null | 6 | C 1 2/c 1 | -C 2yc | 15 | - C17 H12 N2 O5 P Zn1.5 - | - C17 H12 N2 O5 P Zn1.5 - | - C136 H96 N16 O40 P8 Zn12 - | 8 | 1 | Chen, Zhenxia; Ling, Yun; Yang, Haiyang; Guo, Yufen; Weng, Linhong; Zhou, Yaming | Two-step synthesis, structure and adsorption property of a dynamic zinc phosphonocarboxylate framework | CrystEngComm | 2,011 | 13 | 10 | 3378 | 10.1039/c0ce00687d | 0.71073 | MoKα | 0.0344 | 0.0276 | null | null | 0.0685 | 0.0708 | null | null | null | null | null | 0.978 | null | null | has coordinates | Chen, Zhenxia; Ling, Yun; Yang, Haiyang; Guo, Yufen; Weng, Linhong; Zhou, Yaming
Two-step synthesis, structure and adsorption property of a dynamic zinc phosphonocarboxylate framework
CrystEngComm
13(10)
(2011)
3378 | 176,453 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176453 $
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2,001,105 | 13.32 | 0.004 | 31.654 | 0.015 | 6.991 | 0.003 | 90 | null | 90 | null | 90 | null | 2,948 | 2 | null | null | null | null | null | null | null | null | 4 | P b c a | -P 2ac 2ab | null | - C18 H16 N2 O2 - | - C18 H16 N2 O2 - | - C144 H128 N16 O16 - | 8 | 1 | AS0499 | Mori, Y.; Hayakawa, A.; Maeda, K. | Structure of photostable 1-(hydroxyalkyl)-2(1<i>H</i>)-pyrazinones | Acta Crystallographica Section C | 1,992 | 48 | 1 | 123 | 126 | 10.1107/S0108270191007904 | 0.71073 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Mori, Y.; Hayakawa, A.; Maeda, K.
Structure of photostable 1-(hydroxyalkyl)-2(1<i>H</i>)-pyrazinones
Acta Crystallographica Section C
48(1)
(1992)
123-126 | 301,791 | 2025-08-18 | 23:15:00 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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2,001,106 | 9.939 | 0.002 | 10.043 | 0.002 | 9.603 | 0.003 | 114.19 | 0.02 | 96.89 | 0.02 | 106.4 | 0.02 | 807.8 | 0.4 | null | null | null | null | null | null | null | null | 4 | P -1 | -P 1 | 2 | - C19 H18 N2 O2 - | - C19 H18 N2 O2 - | - C38 H36 N4 O4 - | 2 | 1 | AS0499 | Mori, Y.; Hayakawa, A.; Maeda, K. | Structure of photostable 1-(hydroxyalkyl)-2(1<i>H</i>)-pyrazinones | Acta Crystallographica Section C | 1,992 | 48 | 1 | 123 | 126 | 10.1107/S0108270191007904 | 0.71073 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Mori, Y.; Hayakawa, A.; Maeda, K.
Structure of photostable 1-(hydroxyalkyl)-2(1<i>H</i>)-pyrazinones
Acta Crystallographica Section C
48(1)
(1992)
123-126 | 301,791 | 2025-08-18 | 23:15:00 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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2,001,107 | 9.095 | 0.001 | 7.087 | 0.001 | 14.149 | 0.002 | 90 | null | 107.87 | 0.03 | 90 | null | 868 | 0.2 | null | null | null | null | null | null | null | null | 3 | P 1 21 1 | P 2yb | 4 | - C18 H31 I - | - C18 H30 I - | - C36 H60 I2 - | 2 | 1 | HA0064 | Kojić-Prodić, B.; Luić, M.; Nigović, B.; Duddeck, H.; Rosenbaum, D. | Structure of 3,5-di-<i>tert</i>-butyl-10-iodoprotoadamantane | Acta Crystallographica Section C | 1,992 | 48 | 1 | 131 | 133 | 10.1107/S0108270191007758 | 0.71073 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Kojić-Prodić, B.; Luić, M.; Nigović, B.; Duddeck, H.; Rosenbaum, D.
Structure of 3,5-di-<i>tert</i>-butyl-10-iodoprotoadamantane
Acta Crystallographica Section C
48(1)
(1992)
131-133 | 205,898 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2018-01-30 16:30:45 +0200 (Tue, 30 Jan 2018) $
#$Revision: 205898 $
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2,001,108 | 6.8553 | 0.001 | 15.399 | 0.002 | 8.5628 | 0.0009 | 90 | null | 95.763 | 0.01 | 90 | null | 899.4 | 0.2 | null | null | null | null | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | - C9 H10 Cl N O - | - C9 H10 Cl N O - | - C36 H40 Cl4 N4 O4 - | 4 | 1 | AB0222 | Jerslev, B.; Larsen, S. | (<i>E</i>)-4-Chloro-2,6-dimethylbenzaldehyde oxime at 110 K | Acta Crystallographica Section C | 1,992 | 48 | 1 | 136 | 138 | 10.1107/S0108270191007850 | 1.54178 | Cu | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Jerslev, B.; Larsen, S.
(<i>E</i>)-4-Chloro-2,6-dimethylbenzaldehyde oxime at 110 K
Acta Crystallographica Section C
48(1)
(1992)
136-138 | 301,791 | 2025-08-18 | 23:15:00 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,001,109 | 10.16 | 0.002 | 12.23 | 0.002 | 12.796 | 0.001 | 105.735 | 0.006 | 99.58 | 0.02 | 90.09 | 0.01 | 1,507.2 | 0.5 | null | null | null | null | null | null | null | null | 3 | P -1 | -P 1 | 2 | - C17 H24 O - | - C17 H24 O - | - C68 H96 O4 - | 4 | 2 | MU0236 | De Ridder, D. J. A.; Schenk, H. | Crystal studies of musk compounds. IV. Structure of 4-acetyl-6-<i>tert</i>-butyl-1,1-dimethylindan (musk celestolide) | Acta Crystallographica Section C | 1,992 | 48 | 1 | 140 | 142 | 10.1107/S0108270191008211 | 1.54184 | Cu | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | De Ridder, D. J. A.; Schenk, H.
Crystal studies of musk compounds. IV. Structure of 4-acetyl-6-<i>tert</i>-butyl-1,1-dimethylindan (musk celestolide)
Acta Crystallographica Section C
48(1)
(1992)
140-142 | 301,791 | 2025-08-18 | 23:15:00 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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7,205,706 | 16.665 | 0.0005 | 16.665 | 0.0005 | 57.781 | 0.008 | 90 | null | 90 | null | 120 | null | 13,897 | 2 | 291 | 2 | 291 | 2 | null | null | null | null | 6 | R -3 c :H | -R 3 2"c | 167 | - C27 H35 Cu4 I4 O S3 - | - C27 H34.98 Cu4 I4 O S3 - | - C324 H419.76 Cu48 I48 O12 S36 - | 12 | 0.333333 | Zhang, Jun; Xue, Yun-Shan; Li, Yi-Zhi; Du, Hong-Bin; You, Xiao-Zeng | Cuprous iodide coordination polymers (CuI)x(L)y·z(solvent) built on linear thioether linkers | CrystEngComm | 2,011 | 13 | 7 | 2578 | 10.1039/c0ce00685h | 0.71073 | MoKα | 0.0775 | 0.0481 | null | null | 0.1161 | 0.1226 | null | null | null | null | null | 1.005 | null | null | has coordinates | Zhang, Jun; Xue, Yun-Shan; Li, Yi-Zhi; Du, Hong-Bin; You, Xiao-Zeng
Cuprous iodide coordination polymers (CuI)x(L)y·z(solvent) built on linear thioether linkers
CrystEngComm
13(7)
(2011)
2578 | 180,388 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-03-26 17:20:13 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180388 $
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2,001,110 | 13.978 | 0.01 | 9.638 | 0.008 | 6.338 | 0.011 | 90 | null | 90 | null | 90 | null | 853.9 | 1.8 | null | null | null | null | null | null | null | null | 4 | P n a 21 | null | - C6 H10 N4 O4 - | - C6 H10 N4 O4 - | - C24 H40 N16 O16 - | 4 | 1 | MU0225 | Low, J. N.; Howie, R. A.; Hueso-Ureña, F.; Moreno-Carretero, M. N. | Structures of 6-amino-1,3-dimethyl-5-nitrosouracil monohydrate and 6-amino-5-formyl-1,3-dimethyluracil monohydrate | Acta Crystallographica Section C | 1,992 | 48 | 1 | 145 | 147 | 10.1107/S010827019100820X | 0.71069 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Low, J. N.; Howie, R. A.; Hueso-Ureña, F.; Moreno-Carretero, M. N.
Structures of 6-amino-1,3-dimethyl-5-nitrosouracil monohydrate and 6-amino-5-formyl-1,3-dimethyluracil monohydrate
Acta Crystallographica Section C
48(1)
(1992)
145-147 | 301,791 | 2025-08-18 | 23:15:00 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,001,111 | 15.557 | 0.011 | 7.562 | 0.011 | 16.972 | 0.013 | 90 | null | 116.69 | 0.05 | 90 | null | 1,784 | 3 | null | null | null | null | null | null | null | null | 4 | C 1 2/c 1 | -C 2yc | 15 | - C7 H11 N3 O4 - | - C7 H11 N3 O4 - | - C56 H88 N24 O32 - | 8 | 1 | MU0225 | Low, J. N.; Howie, R. A.; Hueso-Ureña, F.; Moreno-Carretero, M. N. | Structures of 6-amino-1,3-dimethyl-5-nitrosouracil monohydrate and 6-amino-5-formyl-1,3-dimethyluracil monohydrate | Acta Crystallographica Section C | 1,992 | 48 | 1 | 145 | 147 | 10.1107/S010827019100820X | 0.71069 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Low, J. N.; Howie, R. A.; Hueso-Ureña, F.; Moreno-Carretero, M. N.
Structures of 6-amino-1,3-dimethyl-5-nitrosouracil monohydrate and 6-amino-5-formyl-1,3-dimethyluracil monohydrate
Acta Crystallographica Section C
48(1)
(1992)
145-147 | 301,791 | 2025-08-18 | 23:15:00 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,001,112 | 18.232 | 0.003 | 7.613 | 0.001 | 16.842 | 0.004 | 90 | null | 96.27 | 0.02 | 90 | null | 2,323.7 | 0.7 | null | null | null | null | null | null | null | null | 6 | C 1 2/c 1 | -C 2yc | null | - C16 H18 Cl2 Cu N8 O11 - | - C16 H20 Cl2 Cu N8 O11 - | - C64 H80 Cl8 Cu4 N32 O44 - | 4 | 0.5 | ST0503 | Morgan, L. W.; Pennington, W. T.; Petersen, J. D.; Ruminski, R. R.; Bennett, D. W.; Rommel, J. S. | Structure of aquabis(2,2'-bipyrimidine-<i>N</i>,<i>N</i>')copper(II) perchlorate dihydrate | Acta Crystallographica Section C | 1,992 | 48 | 1 | 163 | 165 | 10.1107/S0108270191004602 | 0.71073 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Morgan, L. W.; Pennington, W. T.; Petersen, J. D.; Ruminski, R. R.; Bennett, D. W.; Rommel, J. S.
Structure of aquabis(2,2'-bipyrimidine-<i>N</i>,<i>N</i>')copper(II) perchlorate dihydrate
Acta Crystallographica Section C
48(1)
(1992)
163-165 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
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7,205,705 | 24.998 | 0.006 | 8.734 | 0.002 | 22.402 | 0.006 | 90 | null | 101.507 | 0.002 | 90 | null | 4,793 | 2 | 291 | 2 | 291 | 2 | null | null | null | null | 7 | C 1 2/c 1 | -C 2yc | 15 | - C38 H49 Cu2 I2 N O S4 - | - C38 H49 Cu2 I2 N O S4 - | - C152 H196 Cu8 I8 N4 O4 S16 - | 4 | 0.5 | Zhang, Jun; Xue, Yun-Shan; Li, Yi-Zhi; Du, Hong-Bin; You, Xiao-Zeng | Cuprous iodide coordination polymers (CuI)x(L)y·z(solvent) built on linear thioether linkers | CrystEngComm | 2,011 | 13 | 7 | 2578 | 10.1039/c0ce00685h | 0.71073 | MoKα | 0.0701 | 0.0492 | null | null | 0.1013 | 0.1047 | null | null | null | null | null | 1.081 | null | null | has coordinates | Zhang, Jun; Xue, Yun-Shan; Li, Yi-Zhi; Du, Hong-Bin; You, Xiao-Zeng
Cuprous iodide coordination polymers (CuI)x(L)y·z(solvent) built on linear thioether linkers
CrystEngComm
13(7)
(2011)
2578 | 180,388 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-03-26 17:20:13 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180388 $
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2,001,113 | 10.422 | 0.001 | 17.294 | 0.002 | 18.581 | 0.003 | 90 | null | 94.56 | 0.01 | 90 | null | 3,338.4 | 0.7 | null | null | null | null | null | null | null | null | 6 | P 1 21/n 1 | -P 2yn | 14 | - C30 H21 F15 Fe N6 P2 - | - C30 H23 F17 Fe N6 P2 - | - C120 H92 F68 Fe4 N24 P8 - | 4 | 1 | BR0002 | Cho, C. K.; Secco, A. S. | Tris(4-fluoro-2,2'-bipyridyl)iron(II) hexafluorophosphate | Acta Crystallographica Section C | 1,992 | 48 | 1 | 165 | 167 | 10.1107/S0108270191008788 | 0.71069 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Cho, C. K.; Secco, A. S.
Tris(4-fluoro-2,2'-bipyridyl)iron(II) hexafluorophosphate
Acta Crystallographica Section C
48(1)
(1992)
165-167 | 278,324 | 2022-10-03 | 14:41:53 | #------------------------------------------------------------------------------
#$Date: 2022-10-03 17:40:12 +0300 (Mon, 03 Oct 2022) $
#$Revision: 278324 $
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2,001,114 | 7.231 | 0.01 | 10.633 | 0.003 | 15.767 | 0.003 | 90 | null | 103.94 | 0.05 | 90 | null | 1,176.6 | 1.7 | null | null | null | null | null | null | null | null | 6 | P 1 21/c 1 | -P 2ybc | 14 | - C12 H24 Cl2 Cu N4 O14 - | - C12 H24 Cl2 Cu N4 O14 - | - C24 H48 Cl4 Cu2 N8 O28 - | 2 | 0.5 | MU0207 | Delacruz, X.; Martínez-Balbás, A.; Tormo, J.; Verdaguer, N. | Structure of <i>trans</i>-diaquabis[(2-oxopyrrolidin-1-yl)acetamide]copper(II) perchlorate | Acta Crystallographica Section C | 1,992 | 48 | 1 | 167 | 169 | 10.1107/S0108270191008971 | 0.71069 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Delacruz, X.; Martínez-Balbás, A.; Tormo, J.; Verdaguer, N.
Structure of <i>trans</i>-diaquabis[(2-oxopyrrolidin-1-yl)acetamide]copper(II) perchlorate
Acta Crystallographica Section C
48(1)
(1992)
167-169 | 208,377 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2018-06-14 15:53:24 +0300 (Thu, 14 Jun 2018) $
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2,001,115 | 9.764 | 0.002 | 10.185 | 0.002 | 19.885 | 0.003 | 80.03 | 0.01 | 87.87 | 0.01 | 61.94 | 0.01 | 1,716.5 | 0.6 | null | null | null | null | null | null | null | null | 7 | P -1 | -P 1 | 2 | - C34 H49 N O3 P Rh S - | - C34 H49 N O3 P Rh S - | - C68 H98 N2 O6 P2 Rh2 S2 - | 2 | 1 | AB0215 | Basson, S. S.; Leipoldt, J. G.; Purcell, W.; Lamprecht, G. J.; Preston, H. | Structure of carbonyl(4-methoxy-<i>N</i>-methylbenzothiohydroxamato-κ<i>O</i>,κ<i>S</i>)(tricyclohexylphosphine)rhodium(I) benzene solvate | Acta Crystallographica Section C | 1,992 | 48 | 1 | 169 | 171 | 10.1107/S0108270191008405 | 0.71073 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Basson, S. S.; Leipoldt, J. G.; Purcell, W.; Lamprecht, G. J.; Preston, H.
Structure of carbonyl(4-methoxy-<i>N</i>-methylbenzothiohydroxamato-κ<i>O</i>,κ<i>S</i>)(tricyclohexylphosphine)rhodium(I) benzene solvate
Acta Crystallographica Section C
48(1)
(1992)
169-171 | 278,247 | 2022-09-28 | 15:09:31 | #------------------------------------------------------------------------------
#$Date: 2022-09-28 18:08:17 +0300 (Wed, 28 Sep 2022) $
#$Revision: 278247 $
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2,001,116 | 11.99 | 0.001 | 6.195 | 0.001 | 20.906 | 0.003 | 90 | null | 92.857 | 0.01 | 90 | null | 1,550.9 | 0.4 | null | null | null | null | null | null | null | null | 6 | P 1 21/c 1 | -P 2ybc | null | - C12 H14 N2 O6 P Rh - | - C12 H14 N2 O6 P Rh - | - C48 H56 N8 O24 P4 Rh4 - | 4 | 1 | AB0217 | Basson, S. S.; Leipoldt, J. G.; Purcell, W.; Venter, J. A. | Structure of carbonyl(<i>N</i>-hydroxy-<i>N</i>-nitrosobenzenaminato-<i>O</i>,<i>O</i>')(4-methyl-2,6,7-trioxa-1-phosphabicyclo[2.2.2]octane)rhodium(I) | Acta Crystallographica Section C | 1,992 | 48 | 1 | 171 | 173 | 10.1107/S0108270191008223 | 0.71073 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Basson, S. S.; Leipoldt, J. G.; Purcell, W.; Venter, J. A.
Structure of carbonyl(<i>N</i>-hydroxy-<i>N</i>-nitrosobenzenaminato-<i>O</i>,<i>O</i>')(4-methyl-2,6,7-trioxa-1-phosphabicyclo[2.2.2]octane)rhodium(I)
Acta Crystallographica Section C
48(1)
(1992)
171-173 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
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7,205,704 | 11.1804 | 0.0009 | 17.3956 | 0.0014 | 25.706 | 0.002 | 107.456 | 0.001 | 90.016 | 0.002 | 95.251 | 0.001 | 4,747.3 | 0.7 | 291 | 2 | 291 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | - C60 H84 Cu12 I12 S12 - | - C60 H84 Cu12 I12 S12 - | - C120 H168 Cu24 I24 S24 - | 2 | 1 | Zhang, Jun; Xue, Yun-Shan; Li, Yi-Zhi; Du, Hong-Bin; You, Xiao-Zeng | Cuprous iodide coordination polymers (CuI)x(L)y·z(solvent) built on linear thioether linkers | CrystEngComm | 2,011 | 13 | 7 | 2578 | 10.1039/c0ce00685h | 0.71073 | MoKα | 0.0804 | 0.0597 | null | null | 0.1428 | 0.1489 | null | null | null | null | null | 1.023 | null | null | has coordinates | Zhang, Jun; Xue, Yun-Shan; Li, Yi-Zhi; Du, Hong-Bin; You, Xiao-Zeng
Cuprous iodide coordination polymers (CuI)x(L)y·z(solvent) built on linear thioether linkers
CrystEngComm
13(7)
(2011)
2578 | 180,388 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,001,117 | 11.086 | 0.002 | 11.086 | 0.002 | 14.367 | 0.004 | 90 | null | 90 | null | 120 | null | 1,529.1 | 0.6 | null | null | null | null | null | null | null | null | 5 | P 31 | P 31 | null | - C21 H30 Cl N2 O - | - C21 H29 Cl N2 O - | - C63 H87 Cl3 N6 O3 - | 3 | 1 | LI0074 | McKenna, R.; Agbandje, M.; Neidle, S. | Structure of 9-amino-2,7-di-<i>tert</i>-butylacridine | Acta Crystallographica Section C | 1,992 | 48 | 1 | 188 | 190 | 10.1107/S0108270191009113 | 1.54178 | Cu | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | McKenna, R.; Agbandje, M.; Neidle, S.
Structure of 9-amino-2,7-di-<i>tert</i>-butylacridine
Acta Crystallographica Section C
48(1)
(1992)
188-190 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
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2,001,118 | 10.167 | 0.004 | 11.092 | 0.002 | 10.278 | 0.004 | 90 | null | 115.22 | 0.02 | 90 | null | 1,048.6 | 0.6 | null | null | null | null | null | null | null | null | 3 | P 1 21/n 1 | -P 2yn | 14 | - C7 H10 S5 - | - C7 H10 S5 - | - C28 H40 S20 - | 4 | 1 | MU0255 | Pickardt, J.; Kustos, M.; Steudel, R. | Structure of a norbornanepolysulfane: <i>exo</i>-3,4,5,6,7-pentathiatricyclo[7.2.1.0^2,8^]dodecane | Acta Crystallographica Section C | 1,992 | 48 | 1 | 190 | 191 | 10.1107/S0108270191008715 | 0.71069 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Pickardt, J.; Kustos, M.; Steudel, R.
Structure of a norbornanepolysulfane: <i>exo</i>-3,4,5,6,7-pentathiatricyclo[7.2.1.0^2,8^]dodecane
Acta Crystallographica Section C
48(1)
(1992)
190-191 | 301,791 | 2025-08-18 | 23:15:00 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,001,119 | 8.403 | 0.004 | 5.405 | 0.003 | 33.005 | 0.016 | 90 | null | 91.07 | 0.04 | 90 | null | 1,498.8 | 1.3 | null | null | null | null | null | null | null | null | 4 | P 1 21/a 1 | -P 2yab | null | - C18 H18 N2 O2 - | - C18 H19 N2 O2 - | - C72 H76 N8 O8 - | 4 | 1 | AS0500 | Ishida, T.; Negi, A.; In, Y.; Inoue, M. | Structure of <i>N</i>-(indol-3-ylethyl)-4-hydroxyphenylacetamide | Acta Crystallographica Section C | 1,992 | 48 | 1 | 193 | 194 | 10.1107/S0108270191009599 | 1.5418 | Cu | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Ishida, T.; Negi, A.; In, Y.; Inoue, M.
Structure of <i>N</i>-(indol-3-ylethyl)-4-hydroxyphenylacetamide
Acta Crystallographica Section C
48(1)
(1992)
193-194 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
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2,001,120 | 16.381 | 0.003 | 7.042 | 0.001 | 18.157 | 0.004 | 90 | null | 113.02 | 0.03 | 90 | null | 1,927.7 | 0.8 | null | null | null | null | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | null | - C10 H8 N2 O4 - | - C10 H8 N2 O4 - | - C80 H64 N16 O32 - | 8 | 2 | CR0340 | Kwiatkowski, W.; Karolak-Wojciechowska, J. | Structure of <i>m</i>-nitrophenylsuccinimide | Acta Crystallographica Section C | 1,992 | 48 | 1 | 204 | 206 | 10.1107/S0108270191008843 | 1.54178 | Cu | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Kwiatkowski, W.; Karolak-Wojciechowska, J.
Structure of <i>m</i>-nitrophenylsuccinimide
Acta Crystallographica Section C
48(1)
(1992)
204-206 | 301,791 | 2025-08-18 | 23:15:00 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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7,205,703 | 8.792 | 0.005 | 21.509 | 0.012 | 7.436 | 0.004 | 90 | null | 103.882 | 0.007 | 90 | null | 1,365.1 | 1.3 | 291 | 2 | 291 | 2 | null | null | null | null | 5 | C 1 2/m 1 | -C 2y | 12 | - C10 H14 Cu I S2 - | - C10 H14 Cu I S2 - | - C40 H56 Cu4 I4 S8 - | 4 | 0.5 | Zhang, Jun; Xue, Yun-Shan; Li, Yi-Zhi; Du, Hong-Bin; You, Xiao-Zeng | Cuprous iodide coordination polymers (CuI)x(L)y·z(solvent) built on linear thioether linkers | CrystEngComm | 2,011 | 13 | 7 | 2578 | 10.1039/c0ce00685h | 0.71073 | MoKα | 0.0649 | 0.0516 | null | null | 0.1233 | 0.1266 | null | null | null | null | null | 1.05 | null | null | has coordinates | Zhang, Jun; Xue, Yun-Shan; Li, Yi-Zhi; Du, Hong-Bin; You, Xiao-Zeng
Cuprous iodide coordination polymers (CuI)x(L)y·z(solvent) built on linear thioether linkers
CrystEngComm
13(7)
(2011)
2578 | 180,388 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-03-26 17:20:13 +0200 (Sat, 26 Mar 2016) $
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2,001,121 | 7.145 | 0.008 | 10.866 | 0.005 | 11.006 | 0.006 | 90 | null | 107.53 | 0.06 | 90 | null | 814.8 | 1.1 | null | null | null | null | null | null | null | null | 3 | P 1 21/c 1 | -P 2ybc | null | - C9 H7 N3 - | - C9 H10 N3 - | - C36 H40 N12 - | 4 | 1 | HE0024 | Alvarez-Larena, A.; Piniella, J. F.; Borrell, J. I.; Vidal-Ferran, A.; Victory, P.; Germain, G. | Structure of 2-amino-5-methylisophthalonitrile | Acta Crystallographica Section C | 1,992 | 48 | 1 | 208 | 209 | 10.1107/S010827019100865X | 0.71069 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Alvarez-Larena, A.; Piniella, J. F.; Borrell, J. I.; Vidal-Ferran, A.; Victory, P.; Germain, G.
Structure of 2-amino-5-methylisophthalonitrile
Acta Crystallographica Section C
48(1)
(1992)
208-209 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
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2,001,122 | 8.331 | 0.004 | 24.066 | 0.008 | 5.663 | 0.002 | 90 | null | 90 | null | 90 | null | 1,135.4 | 0.8 | null | null | null | null | null | null | null | null | 4 | P 21 21 21 | P 2ac 2ab | null | - C14 H13 N O - | - C14 H13 N O - | - C56 H52 N4 O4 - | 4 | 1 | MU0212 | Su, G.; Guo, S.; Pan, F.; He, Y. | Structure of 4-amino-4'-methylbenzophenone | Acta Crystallographica Section C | 1,992 | 48 | 1 | 210 | 211 | 10.1107/S0108270191008983 | 0.71069 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Su, G.; Guo, S.; Pan, F.; He, Y.
Structure of 4-amino-4'-methylbenzophenone
Acta Crystallographica Section C
48(1)
(1992)
210-211 | 301,791 | 2025-08-18 | 23:15:00 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,001,123 | 13.525 | 0.007 | 7.549 | 0.004 | 13.646 | 0.007 | 90 | null | 90.02 | 0.04 | 90 | null | 1,393.3 | 1.3 | null | null | null | null | null | null | null | null | 3 | P 1 21 1 | P 2yb | 4 | - C15 H22 O4 - | - C15 H22 O4 - | - C60 H88 O16 - | 4 | 2 | ST0527 | Baures, P. W.; Sun, K.-L.; Chan, J. A.; Eggleston, D. S. | Structure of hymenoratin | Acta Crystallographica Section C | 1,992 | 48 | 1 | 211 | 213 | 10.1107/S0108270191008867 | 0.7093 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Baures, P. W.; Sun, K.-L.; Chan, J. A.; Eggleston, D. S.
Structure of hymenoratin
Acta Crystallographica Section C
48(1)
(1992)
211-213 | 301,791 | 2025-08-18 | 23:15:00 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,001,124 | 5.206 | 0.002 | 17.294 | 0.004 | 10.972 | 0.002 | 90 | null | 98.91 | 0.01 | 90 | null | 975.9 | 0.5 | null | null | null | null | null | null | null | null | 4 | P 1 21 1 | P 2yb | 4 | - C21 H25 N O4 - | - C21 H N O4 - | - C42 H2 N2 O8 - | 2 | 1 | MU0261 | Gikas, M.; Agelis, G.; Matsoukas, J.; Moore, G. J.; Dupont, L.; Englebert, S. | Structure of <i>N</i>-<i>tert</i>-butoxycarbonyl-<small>L</small>-phenylalanine benzyl ester | Acta Crystallographica Section C | 1,992 | 48 | 1 | 216 | 217 | 10.1107/S0108270191007771 | 1.5418 | Cu | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Gikas, M.; Agelis, G.; Matsoukas, J.; Moore, G. J.; Dupont, L.; Englebert, S.
Structure of <i>N</i>-<i>tert</i>-butoxycarbonyl-<small>L</small>-phenylalanine benzyl ester
Acta Crystallographica Section C
48(1)
(1992)
216-217 | 205,898 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2018-01-30 16:30:45 +0200 (Tue, 30 Jan 2018) $
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2,001,125 | 14.662 | 0.004 | 10.79 | 0.002 | 7.749 | 0.002 | 90 | null | 104.55 | 0.02 | 90 | null | 1,186.6 | 0.5 | 293 | 1 | 293 | 1 | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | 2-(4-Nitrophenyl)-1-phenylethanone | - C14 H11 N O3 - | - C14 H11 N O3 - | - C56 H44 N4 O12 - | 4 | 1 | AL1007 | Preut, H.; Kolev, T.; Bleckmann, P.; Juchnovski, I. | Structure of 2-(4-nitrophenyl)-1-phenylethanone | Acta Crystallographica Section C | 1,992 | 48 | 6 | 1154 | 1155 | 10.1107/S010827019200310X | 0.71073 | MoKα | null | 0.044 | null | null | 0.048 | null | null | null | null | 1.21 | 1.21 | null | null | null | has coordinates | Preut, H.; Kolev, T.; Bleckmann, P.; Juchnovski, I.
Structure of 2-(4-nitrophenyl)-1-phenylethanone
Acta Crystallographica Section C
48(6)
(1992)
1154-1155 | 301,791 | 2025-08-18 | 23:15:00 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,001,126 | 8.9319 | 0.0006 | 5.7057 | 0.0006 | 12.465 | 0.002 | 90 | null | 110.7 | 0.01 | 90 | null | 594.24 | 0.13 | null | null | null | null | null | null | null | null | 6 | P 1 21 1 | P 2yb | 4 | - C9 H11 Cl Hg N2 O5 - | - C9 H9 Cl Hg N2 O5 - | - C18 H18 Cl2 Hg2 N4 O10 - | 2 | 1 | GR1008 | Toma, P. H.; Dalla Riva Toma, J. M.; Bergstrom, D. E. | Structure of 5-chloromercurio-2'-deoxyuridine | Acta Crystallographica Section C | 1,993 | 49 | 12 | 2047 | 2049 | 10.1107/S0108270193007565 | 1.54184 | Cu | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Toma, P. H.; Dalla Riva Toma, J. M.; Bergstrom, D. E.
Structure of 5-chloromercurio-2'-deoxyuridine
Acta Crystallographica Section C
49(12)
(1993)
2047-2049 | 205,898 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2018-01-30 16:30:45 +0200 (Tue, 30 Jan 2018) $
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7,205,702 | 7.7464 | 0.0005 | 10.6554 | 0.0008 | 25.6955 | 0.0019 | 88.419 | 0.004 | 88.034 | 0.004 | 77.623 | 0.004 | 2,070 | 0.3 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | - C38 H28 Cd2 N8 O17 - | - C38 H24 Cd2 N7.65 O16.3 - | - C76 H48 Cd4 N15.3 O32.6 - | 2 | 1 | Li, Baiyan; Zhang, Yiming; Li, Guanghua; Liu, Dan; Chen, Yan; Hu, Weiwei; Shi, Zhan; Feng, Shouhua | Design and construction of coordination polymers by 2,2′-dinitro-4,4′-biphenyldicarboxylate and imidazole-based ligands: diverse structures based on different metal ions | CrystEngComm | 2,011 | 13 | 7 | 2457 | 10.1039/c0ce00682c | 0.71073 | MoKα | 0.1393 | 0.0649 | null | null | 0.137 | 0.1642 | null | null | null | null | null | 0.912 | null | null | has coordinates,has disorder | Li, Baiyan; Zhang, Yiming; Li, Guanghua; Liu, Dan; Chen, Yan; Hu, Weiwei; Shi, Zhan; Feng, Shouhua
Design and construction of coordination polymers by 2,2′-dinitro-4,4′-biphenyldicarboxylate and imidazole-based ligands: diverse structures based on different metal ions
CrystEngComm
13(7)
(2011)
2457 | 180,388 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,001,127 | 9.285 | 0.006 | 5.373 | 0.002 | 11.981 | 0.006 | 90 | null | 112.09 | 0.04 | 90 | null | 553.8 | 0.5 | null | null | null | null | null | null | null | null | 2 | P 1 21/c 1 | -P 2ybc | null | - C14 H18 - | - C14 H18 - | - C28 H36 - | 2 | 0.5 | HU1011 | Yufit, D. S.; Struchkov, Yu. T.; Lukin, K. A.; Kozhushkov, S. I.; Zefirov, N. S. | Structure of 1,2-bis(spiro[2.3]hex-4-ene-4-yl)ethane | Acta Crystallographica Section C | 1,993 | 49 | 12 | 2049 | 2051 | 10.1107/S0108270192012800 | 0.71073 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Yufit, D. S.; Struchkov, Yu. T.; Lukin, K. A.; Kozhushkov, S. I.; Zefirov, N. S.
Structure of 1,2-bis(spiro[2.3]hex-4-ene-4-yl)ethane
Acta Crystallographica Section C
49(12)
(1993)
2049-2051 | 301,791 | 2025-08-18 | 23:15:00 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,001,128 | 4.4204 | 0.0005 | 9.136 | 0.001 | 11.762 | 0.002 | 101.61 | 0.01 | 96.2 | 0.01 | 92.28 | 0.01 | 461.64 | 0.11 | null | null | null | null | null | null | null | null | 2 | P -1 | -P 1 | 2 | - C3 S8 - | - C3 S8 - | - C6 S16 - | 2 | 1 | VS1006 | Baumer, V. N.; Starodub, V. A.; Batulin, V. P.; Lakin, E. E.; Kuznetsov, V. P.; Dyachenko, O. A. | Structure of 4,5-(pentasulfane-1,5-diyl)-1,3-dithiole-2-thione | Acta Crystallographica Section C | 1,993 | 49 | 12 | 2051 | 2053 | 10.1107/S0108270193004184 | 0.71069 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Baumer, V. N.; Starodub, V. A.; Batulin, V. P.; Lakin, E. E.; Kuznetsov, V. P.; Dyachenko, O. A.
Structure of 4,5-(pentasulfane-1,5-diyl)-1,3-dithiole-2-thione
Acta Crystallographica Section C
49(12)
(1993)
2051-2053 | 301,791 | 2025-08-18 | 23:15:00 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,001,129 | 5.164 | 0.001 | 5.164 | 0.001 | 10.741 | 0.002 | 90 | null | 90 | null | 90 | null | 286.43 | 0.09 | null | null | null | null | null | null | null | null | 3 | I 41/a :2 | -I 4ad | 88 | - F4 Li Y - | - F4 Li Y - | - F16 Li4 Y4 - | 4 | 0.25 | HH0619 | Garcia, E.; Ryan, R. R. | Structure of the laser host material LiYF~4~ | Acta Crystallographica Section C | 1,993 | 49 | 12 | 2053 | 2054 | 10.1107/S0108270193005876 | 0.7107 | Mo | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Garcia, E.; Ryan, R. R.
Structure of the laser host material LiYF~4~
Acta Crystallographica Section C
49(12)
(1993)
2053-2054 | 203,896 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2017-12-03 06:00:29 +0200 (Sun, 03 Dec 2017) $
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#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/11/2001129.cif $
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2,001,130 | 10.0636 | 0.0017 | 10.405 | 0.002 | 11.9671 | 0.0015 | 96.552 | 0.015 | 108.031 | 0.011 | 90.498 | 0.014 | 1,182.5 | 0.3 | null | null | null | null | null | null | null | null | 4 | P -1 | -P 1 | 2 | - C11 H14 N2 O6 - | - C11 H14 N2 O6 - | - C44 H56 N8 O24 - | 4 | 2 | CD1029 | Hambalek, R. J.; Hynes, R. C.; Just, G. | Structure of (±)-<i>exo</i>-4'-hydroxy-<i>exo</i>-6'-hydroxymethyl-<i>endo</i>-3'-thymin-1-yl-2',7'-dioxabicyclo[3.2.0]heptane | Acta Crystallographica Section C | 1,993 | 49 | 12 | 2055 | 2056 | 10.1107/S0108270193004962 | 1.54056 | Cu | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Hambalek, R. J.; Hynes, R. C.; Just, G.
Structure of (±)-<i>exo</i>-4'-hydroxy-<i>exo</i>-6'-hydroxymethyl-<i>endo</i>-3'-thymin-1-yl-2',7'-dioxabicyclo[3.2.0]heptane
Acta Crystallographica Section C
49(12)
(1993)
2055-2056 | 301,791 | 2025-08-18 | 23:15:00 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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2,001,131 | 9.188 | 0.001 | 3.717 | 0.001 | 13.839 | 0.001 | 90 | null | 90 | null | 90 | null | 472.63 | 0.14 | 295 | null | 295 | null | null | null | null | null | 3 | P n m a | -P 2ac 2n | 62 | tinzirconiumtrisulfide | - S3 Sn Zr - | - S3 Sn Zr - | - S12 Sn4 Zr4 - | 4 | 0.5 | AB1082 | Meetsma, A.; Wiegers, G. A.; de Boer, J. L. | Structure determination of SnZrS~3~ | Acta Crystallographica Section C | 1,993 | 49 | 12 | 2060 | 2062 | 10.1107/S0108270193005888 | 0.71073 | MoKα | null | 0.038 | null | null | 0.031 | null | null | null | null | 2.19 | 2.19 | null | null | null | has coordinates | Meetsma, A.; Wiegers, G. A.; de Boer, J. L.
Structure determination of SnZrS~3~
Acta Crystallographica Section C
49(12)
(1993)
2060-2062 | 207,947 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2018-05-24 05:31:50 +0300 (Thu, 24 May 2018) $
#$Revision: 207947 $
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2,001,132 | 6.6858 | 0.0008 | 6.6858 | 0.0008 | 24.147 | 0.003 | 90 | null | 90 | null | 90 | null | 1,079.4 | 0.4 | 294 | null | null | null | null | null | null | null | 3 | P 41 | P 4w | 76 | - Ca2 O7 P2 - | - Ca2 O7 P2 - | - Ca16 O56 P16 - | 8 | 2 | DU1046 | Boudin, S.; Grandin, A.; Borel, M. M.; Leclaire, A.; Raveau, B. | Redetermination of the β-Ca~2~P~2~O~7~ structure | Acta Crystallographica Section C | 1,993 | 49 | 12 | 2062 | 2064 | 10.1107/S0108270193005608 | 0.71073 | MoKᾱ | null | 0.031 | null | null | 0.034 | null | null | null | null | 1.001 | 1.001 | null | null | null | has coordinates | Boudin, S.; Grandin, A.; Borel, M. M.; Leclaire, A.; Raveau, B.
Redetermination of the β-Ca~2~P~2~O~7~ structure
Acta Crystallographica Section C
49(12)
(1993)
2062-2064 | 176,432 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
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7,205,701 | 19.237 | 0.004 | 7.5997 | 0.0015 | 26.035 | 0.005 | 90 | null | 90 | null | 90 | null | 3,806.2 | 1.3 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P b c a | -P 2ac 2ab | 61 | - C38 H26 N8 O16 Zn2 - | - C38 H26 N8 O16 Zn2 - | - C152 H104 N32 O64 Zn8 - | 4 | 0.5 | Li, Baiyan; Zhang, Yiming; Li, Guanghua; Liu, Dan; Chen, Yan; Hu, Weiwei; Shi, Zhan; Feng, Shouhua | Design and construction of coordination polymers by 2,2′-dinitro-4,4′-biphenyldicarboxylate and imidazole-based ligands: diverse structures based on different metal ions | CrystEngComm | 2,011 | 13 | 7 | 2457 | 10.1039/c0ce00682c | 0.71073 | MoKα | 0.0715 | 0.0476 | null | null | 0.0941 | 0.1019 | null | null | null | null | null | 1.037 | null | null | has coordinates | Li, Baiyan; Zhang, Yiming; Li, Guanghua; Liu, Dan; Chen, Yan; Hu, Weiwei; Shi, Zhan; Feng, Shouhua
Design and construction of coordination polymers by 2,2′-dinitro-4,4′-biphenyldicarboxylate and imidazole-based ligands: diverse structures based on different metal ions
CrystEngComm
13(7)
(2011)
2457 | 180,388 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-03-26 17:20:13 +0200 (Sat, 26 Mar 2016) $
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2,001,133 | 11.485 | 0.003 | 6.549 | 0.002 | 15.774 | 0.007 | 90 | null | 103.72 | 0.03 | 90 | null | 1,152.6 | 0.7 | 293 | null | null | null | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | null | - Cl5 H15 N4 O Pt - | - Cl5 H15 N4 O Pt - | - Cl20 H60 N16 O4 Pt4 - | 4 | 1 | PA1046 | Balde, L.; Khodadad, P.; Rodier, N.; Julien, R. | Chlorure de triamminetrichloroplatine(IV) chlorure d'ammonium monohydrate | Acta Crystallographica Section C | 1,993 | 49 | 12 | 2064 | 2065 | 10.1107/S0108270193005165 | 0.7107 | MoKᾱ | null | 0.048 | null | null | 0.057 | null | null | null | null | 1.87 | 1.87 | null | null | null | has coordinates | Balde, L.; Khodadad, P.; Rodier, N.; Julien, R.
Chlorure de triamminetrichloroplatine(IV) chlorure d'ammonium monohydrate
Acta Crystallographica Section C
49(12)
(1993)
2064-2065 | 187,340 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-10-14 14:37:28 +0300 (Fri, 14 Oct 2016) $
#$Revision: 187340 $
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2,001,134 | 16.563 | 0.002 | 8.111 | 0.001 | 9.458 | 0.002 | 90 | null | 90 | null | 90 | null | 1,270.6 | 0.3 | 294 | null | null | null | null | null | null | null | 5 | P n m a | -P 2ac 2n | 62 | - Cl5 H15 Ir N5 Pt - | - Cl5 H15 Ir N5 Pt - | - Cl20 H60 Ir4 N20 Pt4 - | 4 | 0.5 | DU1026 | Garnier, E.; Bele, M. | Structure of pentaamminechloroiridium(III) tetrachloroplatinate(II) | Acta Crystallographica Section C | 1,993 | 49 | 12 | 2066 | 2067 | 10.1107/S0108270193005037 | 0.71069 | MoKα | null | 0.0282 | null | null | 0.0302 | null | null | null | null | 1.537 | 1.537 | null | null | null | has coordinates | Garnier, E.; Bele, M.
Structure of pentaamminechloroiridium(III) tetrachloroplatinate(II)
Acta Crystallographica Section C
49(12)
(1993)
2066-2067 | 278,244 | 2022-09-28 | 13:56:22 | #------------------------------------------------------------------------------
#$Date: 2022-09-28 16:56:03 +0300 (Wed, 28 Sep 2022) $
#$Revision: 278244 $
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2,001,135 | 8.39 | 0.001 | 15.585 | 0.001 | 13.058 | 0.001 | 90 | null | 92.22 | 0.01 | 90 | null | 1,706.2 | 0.3 | 294 | null | null | null | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | - C12 H12 Cu N8 O6 - | - C12 H12 Cu N8 O10 - | - C48 H48 Cu4 N32 O40 - | 4 | 1 | CD1045 | Otieno, T.; Rettig, S. J.; Thompson, R. C.; Trotter, J. | Structure of (nitrato-<i>O</i>)(nitrato-<i>O</i>,<i>O</i>')tris(pyridazine-<i>N</i>)copper(II) | Acta Crystallographica Section C | 1,993 | 49 | 12 | 2067 | 2070 | 10.1107/S0108270193004986 | 1.54178 | CuKα | null | 0.036 | null | null | 0.038 | null | null | null | null | 2.83 | 2.83 | null | null | null | has coordinates | Otieno, T.; Rettig, S. J.; Thompson, R. C.; Trotter, J.
Structure of (nitrato-<i>O</i>)(nitrato-<i>O</i>,<i>O</i>')tris(pyridazine-<i>N</i>)copper(II)
Acta Crystallographica Section C
49(12)
(1993)
2067-2070 | 278,324 | 2022-10-03 | 14:41:53 | #------------------------------------------------------------------------------
#$Date: 2022-10-03 17:40:12 +0300 (Mon, 03 Oct 2022) $
#$Revision: 278324 $
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2,001,136 | 12.756 | 0.002 | 14.451 | 0.002 | 9.805 | 0.001 | 90 | null | 105.69 | 0.01 | 90 | null | 1,740.1 | 0.4 | 297 | 2 | null | null | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | - C18 H16 Cu2 N2 O5 - | - C18 H16 Cu2 N2 O5 - | - C72 H64 Cu8 N8 O20 - | 4 | 1 | OH1028 | Kawata, T.; Ohba, S.; Nishida, Y.; Tokii, T. | Structure of a binuclear copper(II) complex with both μ-alkoxo and μ-formato bridges, [Cu~2~(C~17~H~15~N~2~O~3~)(HCOO)] | Acta Crystallographica Section C | 1,993 | 49 | 12 | 2070 | 2072 | 10.1107/S0108270193004779 | 0.71073 | MoKα | null | 0.047 | null | null | 0.046 | null | null | null | null | 4.65 | 4.65 | null | null | null | has coordinates | Kawata, T.; Ohba, S.; Nishida, Y.; Tokii, T.
Structure of a binuclear copper(II) complex with both μ-alkoxo and μ-formato bridges, [Cu~2~(C~17~H~15~N~2~O~3~)(HCOO)]
Acta Crystallographica Section C
49(12)
(1993)
2070-2072 | 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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2,001,137 | 14.297 | 0.005 | 13.078 | 0.003 | 30.301 | 0.006 | 90 | null | 92.8 | 0.02 | 90 | null | 5,659 | 3 | 293 | null | null | null | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | - C54 H87 B P4 Pt2 - | - C56 H92 B P4 Pt2 - | - C224 H368 B4 P16 Pt8 - | 4 | 1 | NA1031 | Bachechi, F.; Mura, P.; Zambonelli, L. | Structure of the monohydrido bridged dinuclear platinum(II) dihydrate [(PEt~3~)~2~PhPt(μ-H)PtH(PEt~3~)~2~][BPh~4~] | Acta Crystallographica Section C | 1,993 | 49 | 12 | 2072 | 2074 | 10.1107/S0108270193005220 | 1.54178 | CuKα | null | 0.059 | null | null | 0.066 | null | null | null | null | 7.03 | 7.03 | null | null | null | has coordinates | Bachechi, F.; Mura, P.; Zambonelli, L.
Structure of the monohydrido bridged dinuclear platinum(II) dihydrate [(PEt~3~)~2~PhPt(μ-H)PtH(PEt~3~)~2~][BPh~4~]
Acta Crystallographica Section C
49(12)
(1993)
2072-2074 | 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/2/00/11/2001137.cif $
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2,001,138 | 21.143 | 0.011 | 17.911 | 0.002 | 20.415 | 0.003 | 90 | null | 107.83 | 0.02 | 90 | null | 7,360 | 4 | 295 | 1 | null | null | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | null | - C22 H32 Cl2 P2 W - | - C22 H32 Cl2 P2 W - | - C264 H384 Cl24 P24 W12 - | 12 | 3 | HL1028 | Clark, G. R.; Nielson, A. J.; Rickard, C. E. F.; Rae, A. D. | The faulted structures of [WCl~2~(PhC~2~Ph)(CH~2~=CH~2~)(PMe~3~)~2~] and [WCl~2~(PhC~2~Ph)~2~(PMe~3~)~2~] | Acta Crystallographica Section C | 1,993 | 49 | 12 | 2074 | 2079 | 10.1107/S0108270193005402 | 0.71069 | MoKα | null | 0.048 | null | null | 0.061 | null | null | null | null | 1.35 | 1.35 | null | null | null | has coordinates | Clark, G. R.; Nielson, A. J.; Rickard, C. E. F.; Rae, A. D.
The faulted structures of [WCl~2~(PhC~2~Ph)(CH~2~=CH~2~)(PMe~3~)~2~] and [WCl~2~(PhC~2~Ph)~2~(PMe~3~)~2~]
Acta Crystallographica Section C
49(12)
(1993)
2074-2079 | 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/2/00/11/2001138.cif $
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7,205,700 | 8.2565 | 0.0017 | 10.422 | 0.002 | 23.99 | 0.005 | 90 | null | 96.68 | 0.03 | 90 | null | 2,050.3 | 0.7 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | - C38 H28 Cu3 N8 O18 - | - C38 H28 Cu3 N8 O18 - | - C76 H56 Cu6 N16 O36 - | 2 | 0.5 | Li, Baiyan; Zhang, Yiming; Li, Guanghua; Liu, Dan; Chen, Yan; Hu, Weiwei; Shi, Zhan; Feng, Shouhua | Design and construction of coordination polymers by 2,2′-dinitro-4,4′-biphenyldicarboxylate and imidazole-based ligands: diverse structures based on different metal ions | CrystEngComm | 2,011 | 13 | 7 | 2457 | 10.1039/c0ce00682c | 0.71073 | MoKα | 0.0937 | 0.0603 | null | null | 0.1484 | 0.164 | null | null | null | null | null | 1.034 | null | null | has coordinates | Li, Baiyan; Zhang, Yiming; Li, Guanghua; Liu, Dan; Chen, Yan; Hu, Weiwei; Shi, Zhan; Feng, Shouhua
Design and construction of coordination polymers by 2,2′-dinitro-4,4′-biphenyldicarboxylate and imidazole-based ligands: diverse structures based on different metal ions
CrystEngComm
13(7)
(2011)
2457 | 180,388 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-03-26 17:20:13 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180388 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/20/57/7205700.cif $
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2,001,139 | 12.208 | 0.002 | 12.27 | 0.002 | 21.498 | 0.006 | 90 | null | 94.81 | 0.02 | 90 | null | 3,208.9 | 1.2 | 295 | 1 | null | null | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | null | - C34 H38 Cl2 P2 W - | - C34 H38 Cl2 P2 W - | - C136 H152 Cl8 P8 W4 - | 4 | 1 | HL1028 | Clark, G. R.; Nielson, A. J.; Rickard, C. E. F.; Rae, A. D. | The faulted structures of [WCl~2~(PhC~2~Ph)(CH~2~=CH~2~)(PMe~3~)~2~] and [WCl~2~(PhC~2~Ph)~2~(PMe~3~)~2~] | Acta Crystallographica Section C | 1,993 | 49 | 12 | 2074 | 2079 | 10.1107/S0108270193005402 | 0.71069 | MoKα_Zr_filter | null | 0.028 | null | null | 0.033 | null | null | null | null | 1.04 | 1.04 | null | null | null | has coordinates | Clark, G. R.; Nielson, A. J.; Rickard, C. E. F.; Rae, A. D.
The faulted structures of [WCl~2~(PhC~2~Ph)(CH~2~=CH~2~)(PMe~3~)~2~] and [WCl~2~(PhC~2~Ph)~2~(PMe~3~)~2~]
Acta Crystallographica Section C
49(12)
(1993)
2074-2079 | 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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2,001,140 | 9.355 | 0.002 | 14.678 | 0.002 | 14.685 | 0.004 | 101.82 | 0.02 | 93.01 | 0.02 | 108.36 | 0.02 | 1,858.3 | 0.8 | 298 | null | null | null | null | null | null | null | 6 | P -1 | -P 1 | 2 | - C18 H17 Cl2 O P Pt - | - C18 H17 Cl2 O P Pt - | - C72 H68 Cl8 O4 P4 Pt4 - | 4 | 2 | ST1054 | Rath, N. P.; Fallis, K. A.; Anderson, G. K. | Structure of <i>trans</i>-aquadichloro(triphenylphosphine)platinum(II) | Acta Crystallographica Section C | 1,993 | 49 | 12 | 2079 | 2081 | 10.1107/S0108270193005189 | 0.71073 | MoKα | null | 0.0713 | null | null | 0.0884 | null | null | null | null | 1.09 | 1.09 | null | null | null | has coordinates | Rath, N. P.; Fallis, K. A.; Anderson, G. K.
Structure of <i>trans</i>-aquadichloro(triphenylphosphine)platinum(II)
Acta Crystallographica Section C
49(12)
(1993)
2079-2081 | 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/2/00/11/2001140.cif $
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2,001,141 | 11.634 | 0.002 | 12.172 | 0.001 | 10.056 | 0.002 | 114.099 | 0.009 | 115.05 | 0.01 | 92.81 | 0.01 | 1,134.4 | 0.4 | 296.1 | null | 23 | null | null | null | null | null | 6 | P -1 | -P 1 | 2 | - C32 H56 Cr2 N4 O12 P4 - | - C32 H56 Cr2 N4 O12 P4 - | - C32 H56 Cr2 N4 O12 P4 - | 1 | 0.5 | BR1030 | Jasinski, J. P.; Pozdniakov, R. Y.; Wong, E. H. | Structure of a dichromium octacarbonyl complex of cyclotetrakis[bis(diisopropylamino)phosphoxane] | Acta Crystallographica Section C | 1,993 | 49 | 12 | 2081 | 2083 | 10.1107/S0108270193004111 | 0.7107 | MoKα | null | 0.0423 | null | null | 0.0518 | null | null | null | null | 2.239 | 2.239 | null | null | null | has coordinates | Jasinski, J. P.; Pozdniakov, R. Y.; Wong, E. H.
Structure of a dichromium octacarbonyl complex of cyclotetrakis[bis(diisopropylamino)phosphoxane]
Acta Crystallographica Section C
49(12)
(1993)
2081-2083 | 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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2,001,142 | 7.576 | 0.003 | 8.212 | 0.002 | 11.242 | 0.005 | 86.84 | 0.03 | 74.62 | 0.03 | 85.38 | 0.05 | 671.8 | 0.4 | 298 | null | null | null | null | null | null | null | 5 | P -1 | -P 1 | 2 | - C24 H26 N6 O8 Rh2 - | - C24 H26 N6 O8 Rh2 - | - C24 H26 N6 O8 Rh2 - | 1 | 0.5 | DU1036 | Viossat, B.; Dung, Nguyen-Huy; Daran, J. C.; Lancelot, J. C. | Complexe entre un carboxylate de rhodium(II) et un dérivé de la pyrazine: synthèse et structure de tétrakis(μ-acétato)bis[2-(1-pyrrolyle)pyrazine]dirhodium(II) | Acta Crystallographica Section C | 1,993 | 49 | 12 | 2084 | 2086 | 10.1107/S0108270193005049 | 0.71069 | MoKα | null | null | null | null | null | null | null | null | null | 2.1 | 2.1 | null | null | null | has coordinates | Viossat, B.; Dung, Nguyen-Huy; Daran, J. C.; Lancelot, J. C.
Complexe entre un carboxylate de rhodium(II) et un dérivé de la pyrazine: synthèse et structure de tétrakis(μ-acétato)bis[2-(1-pyrrolyle)pyrazine]dirhodium(II)
Acta Crystallographica Section C
49(12)
(1993)
2084-2086 | 301,791 | 2025-08-18 | 23:15:00 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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7,205,699 | 12.7703 | 0.0007 | 14.1255 | 0.0008 | 15.8443 | 0.0009 | 116.321 | 0.003 | 90.408 | 0.004 | 111.164 | 0.003 | 2,340.7 | 0.3 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | - C43 H37 N10 Ni2 O18 - | - C43 H33 N10 Ni2 O18 - | - C86 H66 N20 Ni4 O36 - | 2 | 1 | Li, Baiyan; Zhang, Yiming; Li, Guanghua; Liu, Dan; Chen, Yan; Hu, Weiwei; Shi, Zhan; Feng, Shouhua | Design and construction of coordination polymers by 2,2′-dinitro-4,4′-biphenyldicarboxylate and imidazole-based ligands: diverse structures based on different metal ions | CrystEngComm | 2,011 | 13 | 7 | 2457 | 10.1039/c0ce00682c | 0.71073 | MoKα | 0.1323 | 0.0658 | null | null | 0.1673 | 0.1989 | null | null | null | null | null | 0.936 | null | null | has coordinates,has disorder | Li, Baiyan; Zhang, Yiming; Li, Guanghua; Liu, Dan; Chen, Yan; Hu, Weiwei; Shi, Zhan; Feng, Shouhua
Design and construction of coordination polymers by 2,2′-dinitro-4,4′-biphenyldicarboxylate and imidazole-based ligands: diverse structures based on different metal ions
CrystEngComm
13(7)
(2011)
2457 | 180,387 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-03-26 17:19:08 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180387 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/20/56/7205699.cif $
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2,001,143 | 13.003 | 0.003 | 13.639 | 0.004 | 9.861 | 0.002 | 110.26 | 0.02 | 100.94 | 0.02 | 109.35 | 0.02 | 1,453.5 | 0.8 | 294 | null | null | null | null | null | null | null | 6 | P 1 | P 1 | 1 | - C30 H66 Cl6 Er2 N6 O42 - | - C30 H66 Cl6 Er2 N6 O48 - | - C30 H66 Cl6 Er2 N6 O48 - | 1 | 1 | OH1031 | Hu, N.-H.; Wang, Z.-L.; Niu, C.-J.; Ni, J.-Z. | Structure of an erbium complex with <small>L</small>-proline | Acta Crystallographica Section C | 1,993 | 49 | 12 | 2086 | 2089 | 10.1107/S0108270193005311 | 0.71069 | MoKα | null | 0.024 | null | null | 0.028 | null | null | null | null | 1.52 | 1.52 | null | null | null | has coordinates | Hu, N.-H.; Wang, Z.-L.; Niu, C.-J.; Ni, J.-Z.
Structure of an erbium complex with <small>L</small>-proline
Acta Crystallographica Section C
49(12)
(1993)
2086-2089 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
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2,001,144 | 13.381 | 0.012 | 8.91 | 0.009 | 9.178 | 0.009 | 90 | null | 101.27 | 0.09 | 90 | null | 1,073.1 | 1.8 | 80 | 1 | 80 | null | null | null | null | null | 5 | P 1 21/a 1 | -P 2yab | 14 | di-μ-chlorobis[trichloro(allyl acetate-O)]dititanium(IV) | - C10 H16 Cl8 O4 Ti2 - | - C10 H16 Cl8 O4 Ti2 - | - C20 H32 Cl16 O8 Ti4 - | 2 | 0.5 | KA1046 | Lis, T.; Utko, J.; Sobota, P. | Structure of di-μ-chloro-bis[(allyl acetate-<i>O</i>)trichlorotitanium(IV)] at 80 K | Acta Crystallographica Section C | 1,993 | 49 | 12 | 2089 | 2091 | 10.1107/S0108270193006110 | 0.7093 | MoKα | null | 0.0258 | null | null | 0.028 | null | null | null | null | null | null | null | null | null | has coordinates | Lis, T.; Utko, J.; Sobota, P.
Structure of di-μ-chloro-bis[(allyl acetate-<i>O</i>)trichlorotitanium(IV)] at 80 K
Acta Crystallographica Section C
49(12)
(1993)
2089-2091 | 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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2,001,145 | 12.878 | 0.005 | 19.311 | 0.009 | 14.387 | 0.008 | 90 | null | 112.56 | 0.04 | 90 | null | 3,304 | 3 | 293 | null | null | null | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | - C36 H60 O24 Pd6 S12 - | - C36 H60 O24 Pd6 S12 - | - C72 H120 O48 Pd12 S24 - | 2 | 0.5 | SH1051 | Schneider, I.; Hörner, M.; Olendzki, R. N.; Strähle, J. | Structure of <i>cyclo</i>-hexakis[bis-μ-(methoxycarbonylmethylthiolato)-palladium(II)], [Pd(SCH~2~COOCH~3~)~2~]~6~ | Acta Crystallographica Section C | 1,993 | 49 | 12 | 2091 | 2093 | 10.1107/S0108270193005657 | 0.71069 | MoKα | null | 0.033 | null | null | 0.043 | null | null | null | null | 1.657 | 1.657 | null | null | null | has coordinates | Schneider, I.; Hörner, M.; Olendzki, R. N.; Strähle, J.
Structure of <i>cyclo</i>-hexakis[bis-μ-(methoxycarbonylmethylthiolato)-palladium(II)], [Pd(SCH~2~COOCH~3~)~2~]~6~
Acta Crystallographica Section C
49(12)
(1993)
2091-2093 | 301,791 | 2025-08-18 | 23:15:00 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,001,146 | 17.06 | 0.002 | 7.088 | 0.002 | 15.332 | 0.002 | 90 | null | 91.76 | 0.01 | 90 | null | 1,853.1 | 0.6 | 298 | null | null | null | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | - C14 H11 K3 N2 O12 - | - C14 H11 K3 N2 O12 - | - C56 H44 K12 N8 O48 - | 4 | 1 | OH1023 | Nakamura, N.; Kohzuma, T.; Kuma, H.; Suzuki, S. | Structure of a tripotassium pyrroloquinoline quinone salt | Acta Crystallographica Section C | 1,993 | 49 | 12 | 2093 | 2095 | 10.1107/S0108270193005530 | 1.54178 | CuKα | null | 0.056 | null | null | 0.06 | null | null | null | null | 1.23 | 1.23 | null | null | null | has coordinates | Nakamura, N.; Kohzuma, T.; Kuma, H.; Suzuki, S.
Structure of a tripotassium pyrroloquinoline quinone salt
Acta Crystallographica Section C
49(12)
(1993)
2093-2095 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
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2,001,147 | 11.782 | 0.002 | 12.524 | 0.002 | 7.041 | 0.002 | 95.49 | 0.02 | 98.01 | 0.02 | 84.71 | 0.02 | 1,020.8 | 0.4 | 298 | 2 | null | null | null | null | null | null | 4 | P -1 | -P 1 | 2 | - C40 H48 Cu2 O10 - | - C40 H48 Cu2 O10 - | - C40 H48 Cu2 O10 - | 1 | 0.5 | AS1036 | Fujita, T.; Ohba, S.; Nagamatsu, M.; Tokii, T.; Jury, C. F.; Steward, O. W.; Kato, M. | Dimeric copper(II) 2-methyl-2-phenylpropanoate adducts with water or 2,6-lutidine and a monomeric copper(II) triphenylacetate adduct with 2,6-lutidine | Acta Crystallographica Section C | 1,993 | 49 | 12 | 2095 | 2100 | 10.1107/S0108270193005359 | 0.71073 | MoKα | null | 0.047 | null | null | 0.054 | null | null | null | null | 1.94 | 1.94 | null | null | null | has coordinates | Fujita, T.; Ohba, S.; Nagamatsu, M.; Tokii, T.; Jury, C. F.; Steward, O. W.; Kato, M.
Dimeric copper(II) 2-methyl-2-phenylpropanoate adducts with water or 2,6-lutidine and a monomeric copper(II) triphenylacetate adduct with 2,6-lutidine
Acta Crystallographica Section C
49(12)
(1993)
2095-2100 | 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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7,205,698 | 12.405 | 0.003 | 14.088 | 0.003 | 15.765 | 0.003 | 63.53 | 0.03 | 72.82 | 0.03 | 68.38 | 0.03 | 2,264.1 | 1.1 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | - C43 H37 Co2 N10 O18 - | - C43 H37 Co2 N10 O18 - | - C86 H74 Co4 N20 O36 - | 2 | 1 | Li, Baiyan; Zhang, Yiming; Li, Guanghua; Liu, Dan; Chen, Yan; Hu, Weiwei; Shi, Zhan; Feng, Shouhua | Design and construction of coordination polymers by 2,2′-dinitro-4,4′-biphenyldicarboxylate and imidazole-based ligands: diverse structures based on different metal ions | CrystEngComm | 2,011 | 13 | 7 | 2457 | 10.1039/c0ce00682c | 0.71073 | MoKα | 0.0967 | 0.0619 | null | null | 0.1423 | 0.1609 | null | null | null | null | null | 1.026 | null | null | has coordinates | Li, Baiyan; Zhang, Yiming; Li, Guanghua; Liu, Dan; Chen, Yan; Hu, Weiwei; Shi, Zhan; Feng, Shouhua
Design and construction of coordination polymers by 2,2′-dinitro-4,4′-biphenyldicarboxylate and imidazole-based ligands: diverse structures based on different metal ions
CrystEngComm
13(7)
(2011)
2457 | 180,387 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-03-26 17:19:08 +0200 (Sat, 26 Mar 2016) $
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2,001,148 | 13.033 | 0.001 | 22.608 | 0.003 | 16.703 | 0.001 | 90 | null | 90.76 | 0.01 | 90 | null | 4,921.1 | 0.8 | 298 | 2 | null | null | null | null | null | null | 5 | P 1 2/c 1 | -P 2yc | 13 | - C60 H68 Cu2 N2 O8 - | - C27 H31 Cu N O4 - | - C108 H124 Cu4 N4 O16 - | 4 | 1 | AS1036 | Fujita, T.; Ohba, S.; Nagamatsu, M.; Tokii, T.; Jury, C. F.; Steward, O. W.; Kato, M. | Dimeric copper(II) 2-methyl-2-phenylpropanoate adducts with water or 2,6-lutidine and a monomeric copper(II) triphenylacetate adduct with 2,6-lutidine | Acta Crystallographica Section C | 1,993 | 49 | 12 | 2095 | 2100 | 10.1107/S0108270193005359 | 0.71073 | MoKα | null | 0.047 | null | null | 0.041 | null | null | null | null | 1.57 | 1.57 | null | null | null | has coordinates | Fujita, T.; Ohba, S.; Nagamatsu, M.; Tokii, T.; Jury, C. F.; Steward, O. W.; Kato, M.
Dimeric copper(II) 2-methyl-2-phenylpropanoate adducts with water or 2,6-lutidine and a monomeric copper(II) triphenylacetate adduct with 2,6-lutidine
Acta Crystallographica Section C
49(12)
(1993)
2095-2100 | 176,432 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
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2,001,149 | 19.928 | 0.004 | 10.982 | 0.002 | 10.017 | 0.002 | 90 | null | 97.98 | 0.02 | 90 | null | 2,171 | 0.7 | 300 | 2 | null | null | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | - C54 H48 Cu N2 O4 - | - C54 H48 Cu N2 O4 - | - C108 H96 Cu2 N4 O8 - | 2 | 0.5 | AS1036 | Fujita, T.; Ohba, S.; Nagamatsu, M.; Tokii, T.; Jury, C. F.; Steward, O. W.; Kato, M. | Dimeric copper(II) 2-methyl-2-phenylpropanoate adducts with water or 2,6-lutidine and a monomeric copper(II) triphenylacetate adduct with 2,6-lutidine | Acta Crystallographica Section C | 1,993 | 49 | 12 | 2095 | 2100 | 10.1107/S0108270193005359 | 0.71073 | MoKα | null | 0.056 | null | null | 0.054 | null | null | null | null | 1.61 | 1.61 | null | null | null | has coordinates | Fujita, T.; Ohba, S.; Nagamatsu, M.; Tokii, T.; Jury, C. F.; Steward, O. W.; Kato, M.
Dimeric copper(II) 2-methyl-2-phenylpropanoate adducts with water or 2,6-lutidine and a monomeric copper(II) triphenylacetate adduct with 2,6-lutidine
Acta Crystallographica Section C
49(12)
(1993)
2095-2100 | 301,791 | 2025-08-18 | 23:15:00 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,001,150 | 12.76 | 0.006 | 5.319 | 0.004 | 14.933 | 0.008 | 90 | null | 91.05 | 0.04 | 90 | null | 1,013.3 | 1.1 | 295 | null | null | null | null | null | null | null | 4 | P 1 21/a 1 | -P 2yab | null | - C16 H22 Co O14 - | - C16 H22 Co O14 - | - C32 H44 Co2 O28 - | 2 | 0.5 | HU1032 | Kariuki, B. M.; Jones, W. | Structure of hexaaquacobalt hydrogen phthalate | Acta Crystallographica Section C | 1,993 | 49 | 12 | 2100 | 2102 | 10.1107/S0108270193005918 | 0.71069 | MoKα | null | 0.056 | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Kariuki, B. M.; Jones, W.
Structure of hexaaquacobalt hydrogen phthalate
Acta Crystallographica Section C
49(12)
(1993)
2100-2102 | 301,791 | 2025-08-18 | 23:15:00 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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2,001,151 | 16.562 | 0.001 | 9.704 | 0.001 | 36.591 | 0.002 | 90 | null | 92.21 | 0.01 | 90 | null | 5,876.4 | 0.8 | 294 | 1 | 293 | null | null | null | null | null | 6 | I 1 2/a 1 | -I 2ya | 15 | FeBAMP | Bis(2,6-diaminomethylpyridine)Fe(II)Dichloride . 1.67Hydrate | - C14 H25.33 Cl2 Fe N6 O1.67 - | - C14 H25.3333 Cl2 Fe N6 O1.66667 - | - C168 H304 Cl24 Fe12 N72 O20 - | 12 | 1.5 | MU1032 | Bonhôte, P.; Ferigo, M.; Stoeckli-Evans, H.; Marty, W. | Structures of 2,6-bis(aminomethyl)pyridine (bamp) complexes of Fe^II^, Ni^II^, Zn^II^, Mn^II^, Co^III^ and Cu^II^ | Acta Crystallographica Section C | 1,993 | 49 | 12 | 2102 | 2107 | 10.1107/S010827019300424X | 0.71073 | MolybdenumKα | 0.029 | 0.029 | null | 0.046 | 0.049 | null | null | null | null | 0.74 | 0.74 | null | null | null | has coordinates | Bonhôte, P.; Ferigo, M.; Stoeckli-Evans, H.; Marty, W.
Structures of 2,6-bis(aminomethyl)pyridine (bamp) complexes of Fe^II^, Ni^II^, Zn^II^, Mn^II^, Co^III^ and Cu^II^
Acta Crystallographica Section C
49(12)
(1993)
2102-2107 | 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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7,205,697 | 19.249 | 0.004 | 7.6441 | 0.0015 | 26.522 | 0.005 | 90 | null | 90 | null | 90 | null | 3,902.5 | 1.3 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P b c a | -P 2ac 2ab | 61 | - C38 H26 Mn2 N8 O16 - | - C38 H26 Mn2 N8 O16 - | - C152 H104 Mn8 N32 O64 - | 4 | 0.5 | Li, Baiyan; Zhang, Yiming; Li, Guanghua; Liu, Dan; Chen, Yan; Hu, Weiwei; Shi, Zhan; Feng, Shouhua | Design and construction of coordination polymers by 2,2′-dinitro-4,4′-biphenyldicarboxylate and imidazole-based ligands: diverse structures based on different metal ions | CrystEngComm | 2,011 | 13 | 7 | 2457 | 10.1039/c0ce00682c | 0.71073 | MoKα | 0.0674 | 0.0508 | null | null | 0.1018 | 0.1086 | null | null | null | null | null | 1.04 | null | null | has coordinates | Li, Baiyan; Zhang, Yiming; Li, Guanghua; Liu, Dan; Chen, Yan; Hu, Weiwei; Shi, Zhan; Feng, Shouhua
Design and construction of coordination polymers by 2,2′-dinitro-4,4′-biphenyldicarboxylate and imidazole-based ligands: diverse structures based on different metal ions
CrystEngComm
13(7)
(2011)
2457 | 180,387 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-03-26 17:19:08 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180387 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/7/20/56/7205697.cif $
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2,001,152 | 16.477 | 0.002 | 9.677 | 0.001 | 36.534 | 0.005 | 90 | null | 91.9 | 0.01 | 90 | null | 5,822.1 | 1.2 | 294 | 1 | 293 | null | null | null | null | null | 6 | I 1 2/a 1 | -I 2ya | 15 | NiBAMP | Bis(2,6-diaminomethylpyridine)Ni(II)Dichloride 1.67Hydrate | - C14 H25.33 Cl2 N6 Ni O1.67 - | - C14 H25.3333 Cl2 N6 Ni O1.66667 - | - C168 H304 Cl24 N72 Ni12 O20 - | 12 | 1.5 | MU1032 | Bonhôte, P.; Ferigo, M.; Stoeckli-Evans, H.; Marty, W. | Structures of 2,6-bis(aminomethyl)pyridine (bamp) complexes of Fe^II^, Ni^II^, Zn^II^, Mn^II^, Co^III^ and Cu^II^ | Acta Crystallographica Section C | 1,993 | 49 | 12 | 2102 | 2107 | 10.1107/S010827019300424X | 0.71073 | MolybdenumKα | 0.036 | 0.036 | null | 0.051 | 0.051 | null | null | null | null | 0.94 | 0.94 | null | null | null | has coordinates | Bonhôte, P.; Ferigo, M.; Stoeckli-Evans, H.; Marty, W.
Structures of 2,6-bis(aminomethyl)pyridine (bamp) complexes of Fe^II^, Ni^II^, Zn^II^, Mn^II^, Co^III^ and Cu^II^
Acta Crystallographica Section C
49(12)
(1993)
2102-2107 | 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/2/00/11/2001152.cif $
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2,001,153 | 16.54 | 0.001 | 9.709 | 0.001 | 36.607 | 0.002 | 90 | null | 92.01 | 0.01 | 90 | null | 5,875 | 0.8 | 294 | 1 | 293 | null | null | null | null | null | 6 | I 1 2/a 1 | -I 2ya | 15 | ZnBAMP | Bis(2,6-diaminomethylpyridine)Zn(II)Dichloride . 1.67Hydrate | - C14 H25.33 Cl2 N6 O1.67 Zn - | - C14 H25.3333 Cl2 N6 O1.66667 Zn - | - C168 H304 Cl24 N72 O20 Zn12 - | 12 | 1.5 | MU1032 | Bonhôte, P.; Ferigo, M.; Stoeckli-Evans, H.; Marty, W. | Structures of 2,6-bis(aminomethyl)pyridine (bamp) complexes of Fe^II^, Ni^II^, Zn^II^, Mn^II^, Co^III^ and Cu^II^ | Acta Crystallographica Section C | 1,993 | 49 | 12 | 2102 | 2107 | 10.1107/S010827019300424X | 0.71073 | MolybdenumKα | 0.036 | 0.036 | null | 0.091 | 0.091 | null | null | null | null | 1.73 | 1.73 | null | null | null | has coordinates | Bonhôte, P.; Ferigo, M.; Stoeckli-Evans, H.; Marty, W.
Structures of 2,6-bis(aminomethyl)pyridine (bamp) complexes of Fe^II^, Ni^II^, Zn^II^, Mn^II^, Co^III^ and Cu^II^
Acta Crystallographica Section C
49(12)
(1993)
2102-2107 | 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/2/00/11/2001153.cif $
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2,001,154 | 13.01 | 0.001 | 9.162 | 0.001 | 15.669 | 0.002 | 90 | null | 93.251 | 0.009 | 90 | null | 1,864.7 | 0.3 | 294 | 1 | 293 | null | null | null | null | null | 6 | I 1 2/a 1 | -I 2ya | 15 | MnBAMP | Bis(2,6-diaminomethylpyridine)Mn(II)Dichloride Monohydrate | - C14 H24 Cl2 Mn N6 O - | - C14 H24 Cl2 Mn N6 O - | - C56 H96 Cl8 Mn4 N24 O4 - | 4 | 0.5 | MU1032 | Bonhôte, P.; Ferigo, M.; Stoeckli-Evans, H.; Marty, W. | Structures of 2,6-bis(aminomethyl)pyridine (bamp) complexes of Fe^II^, Ni^II^, Zn^II^, Mn^II^, Co^III^ and Cu^II^ | Acta Crystallographica Section C | 1,993 | 49 | 12 | 2102 | 2107 | 10.1107/S010827019300424X | 0.71073 | MolybdenumKα | 0.034 | 0.034 | null | 0.064 | 0.064 | null | null | null | null | 0.6 | 0.6 | null | null | null | has coordinates | Bonhôte, P.; Ferigo, M.; Stoeckli-Evans, H.; Marty, W.
Structures of 2,6-bis(aminomethyl)pyridine (bamp) complexes of Fe^II^, Ni^II^, Zn^II^, Mn^II^, Co^III^ and Cu^II^
Acta Crystallographica Section C
49(12)
(1993)
2102-2107 | 301,791 | 2025-08-18 | 23:15:00 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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2,001,155 | 8.758 | 0.002 | 26.749 | 0.005 | 17.32 | 0.003 | 90 | null | 90 | null | 90 | null | 4,057.5 | 1.4 | 294 | 1 | 293 | null | null | null | null | null | 6 | P c c n | -P 2ab 2ac | 56 | CoBAMP | Bis(2,6-diaminomethylpyridine)Co(III)Trichloride Hemihydrate | - C14 H22 Cl3 Co N6 O0.5 - | - C14 H22 Cl3.5 Co N6 O - | - C112 H176 Cl28 Co8 N48 O8 - | 8 | 1 | MU1032 | Bonhôte, P.; Ferigo, M.; Stoeckli-Evans, H.; Marty, W. | Structures of 2,6-bis(aminomethyl)pyridine (bamp) complexes of Fe^II^, Ni^II^, Zn^II^, Mn^II^, Co^III^ and Cu^II^ | Acta Crystallographica Section C | 1,993 | 49 | 12 | 2102 | 2107 | 10.1107/S010827019300424X | 0.71073 | MolybdenumKα | 0.072 | 0.072 | null | 0.117 | 0.117 | null | null | null | null | 1.83 | 1.83 | null | null | null | has coordinates | Bonhôte, P.; Ferigo, M.; Stoeckli-Evans, H.; Marty, W.
Structures of 2,6-bis(aminomethyl)pyridine (bamp) complexes of Fe^II^, Ni^II^, Zn^II^, Mn^II^, Co^III^ and Cu^II^
Acta Crystallographica Section C
49(12)
(1993)
2102-2107 | 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/2/00/11/2001155.cif $
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7,205,696 | 5.798 | 0.002 | 9.447 | 0.004 | 11.167 | 0.004 | 87.646 | 0.007 | 75.043 | 0.006 | 75.422 | 0.006 | 571.7 | 0.4 | 120 | null | 120 | null | null | null | null | null | 4 | P -1 | -P 1 | 2 | - C9 H13 N5 S2 - | - C9 H13 N5 S2 - | - C18 H26 N10 S4 - | 2 | 1 | Lenthall, Joseph T.; Foster, Jonathan A.; Anderson, Kirsty M.; Probert, Michael R.; Howard, Judith A. K.; Steed, Jonathan W. | Hydrogen bonding interactions with the thiocarbonyl π-system | CrystEngComm | 2,011 | 13 | 9 | 3202 | 10.1039/c0ce00680g | x-ray | 0.71073 | MoKα | K-L~3~ | 0.0592 | 0.045 | null | null | 0.1149 | 0.1207 | null | null | null | null | null | 1.07 | null | null | has coordinates | Lenthall, Joseph T.; Foster, Jonathan A.; Anderson, Kirsty M.; Probert, Michael R.; Howard, Judith A. K.; Steed, Jonathan W.
Hydrogen bonding interactions with the thiocarbonyl π-system
CrystEngComm
13(9)
(2011)
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2,001,156 | 17.628 | 0.004 | 10.168 | 0.001 | 6.496 | 0.001 | 90 | null | 90 | null | 90 | null | 1,164.4 | 0.3 | 294 | 1 | 293 | null | null | null | null | null | 6 | P n a 21 | P 2c -2n | 33 | CuBAMP | (2,6-diaminomethylpyridine)Cu(II)Chloride Perchorlate | - C7 H11 Cl2 Cu N3 O4 - | - C7 H11 Cl2 Cu N3 O4 - | - C28 H44 Cl8 Cu4 N12 O16 - | 4 | 1 | MU1032 | Bonhôte, P.; Ferigo, M.; Stoeckli-Evans, H.; Marty, W. | Structures of 2,6-bis(aminomethyl)pyridine (bamp) complexes of Fe^II^, Ni^II^, Zn^II^, Mn^II^, Co^III^ and Cu^II^ | Acta Crystallographica Section C | 1,993 | 49 | 12 | 2102 | 2107 | 10.1107/S010827019300424X | 0.71073 | MolybdenumKα | 0.032 | 0.032 | null | 0.049 | 0.049 | null | null | null | null | 0.86 | 0.86 | null | null | null | has coordinates | Bonhôte, P.; Ferigo, M.; Stoeckli-Evans, H.; Marty, W.
Structures of 2,6-bis(aminomethyl)pyridine (bamp) complexes of Fe^II^, Ni^II^, Zn^II^, Mn^II^, Co^III^ and Cu^II^
Acta Crystallographica Section C
49(12)
(1993)
2102-2107 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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