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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
2,003,751 | 14.212 | 0.003 | 17.39 | 0.004 | 14.84 | 0.001 | 90 | null | 96.1 | 0.01 | 90 | null | 3,646.9 | 1.2 | 193 | null | null | null | null | null | null | null | THF/heptane | 6 | P 1 21/a 1 | -P 2yab | null | - C46 H28 F3 Fe N4 O2 - | - C46.57 H28 F1.71 Fe N4 O3 - | - C186.28 H112 F6.84 Fe4 N16 O12 - | 4 | 1 | BK0001 | Moy, S. A.; González, J. A.; Wilson, L. J. | Molecular Stereochemistry of [Fe^III^(TPP)(OCOCF~3~)] | Acta Crystallographica Section C | 1,995 | 51 | 8 | 1490 | 1494 | 10.1107/S010827019401334X | 0.71073 | MoKα | null | 0.064 | null | null | 0.083 | null | null | null | null | 1.95 | 1.95 | null | null | null | has coordinates | Moy, S. A.; González, J. A.; Wilson, L. J.
Molecular Stereochemistry of [Fe^III^(TPP)(OCOCF~3~)]
Acta Crystallographica Section C
51(8)
(1995)
1490-1494 | 192,016 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,003,752 | 7.609 | 0.002 | 7.587 | 0.002 | 9.414 | 0.002 | 90 | null | 105.24 | 0.03 | 90 | null | 524.4 | 0.2 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 1 21 1 | P 2yb | 4 | 1-Methylimidazolium D-Tartrate | 1-Methylimidazolium D-Tartrate | - C8 H12 N2 O6 - | - C8 H12 N2 O6 - | - C16 H24 N4 O12 - | 2 | 1 | BK1056 | Fuller, J. | The Influence of Hydrogen Bonding on the Structure of 1-Methylimidazolium <small>D</small>-Tartrate | Acta Crystallographica Section C | 1,995 | 51 | 8 | 1680 | 1683 | 10.1107/S0108270195002514 | 0.71073 | MoKα | 0.0584 | 0.0435 | null | 0.1245 | 0.1095 | null | null | null | 1.07 | 1.091 | 1.091 | null | null | null | has coordinates | Fuller, J.
The Influence of Hydrogen Bonding on the Structure of 1-Methylimidazolium <small>D</small>-Tartrate
Acta Crystallographica Section C
51(8)
(1995)
1680-1683 | 301,791 | 2025-08-18 | 23:15:25 | #------------------------------------------------------------------------------
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2,003,753 | 10.259 | 0.003 | 12.016 | 0.004 | 8.42 | 0.003 | 93.23 | 0.03 | 96.52 | 0.03 | 78.22 | 0.02 | 1,008.9 | 0.6 | 296 | null | null | null | null | null | null | null | 5 | P -1 | -P 1 | 2 | - C36 H64 Ni P2 S2 - | - C36 Ni P2 S2 - | - C36 Ni P2 S2 - | 1 | 0.5 | BK1083 | Cao, R.; Jiang, F.; Hong, M.; Li, H.; Liu, H. | Bis(phenylthiolato-<i>S</i>)bis(tri-<i>n</i>-butylphosphine-<i>P</i>)nickel(II), [Ni(SPh)~2~(P^<i>n^</i>Bu~3~)~2~] | Acta Crystallographica Section C | 1,995 | 51 | 8 | 1552 | 1554 | 10.1107/S0108270194014940 | 0.71073 | MoKα | null | 0.05 | null | null | 0.063 | null | null | null | null | 1.55 | 1.55 | null | null | null | has coordinates | Cao, R.; Jiang, F.; Hong, M.; Li, H.; Liu, H.
Bis(phenylthiolato-<i>S</i>)bis(tri-<i>n</i>-butylphosphine-<i>P</i>)nickel(II), [Ni(SPh)~2~(P^<i>n^</i>Bu~3~)~2~]
Acta Crystallographica Section C
51(8)
(1995)
1552-1554 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,003,754 | 13.401 | 0.002 | 13.5794 | 0.001 | 8.695 | 0.001 | 90 | 0.01 | 90 | 0.01 | 90 | 0.01 | 1,582.3 | 0.3 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P 21 21 21 | P 2ac 2ab | 19 | exo-2-(eta-6-Hexamethylbenzene)-endo-2-chloro-2-ruthena-arachno-tetraborane | - C12 H26 B3 Cl Ru - | - C12 H26 B3 Cl Ru - | - C48 H104 B12 Cl4 Ru4 - | 4 | 1 | BK1106 | Bown, M.; Ingham, S. L.; Norris, G. E.; Waters, J. M. | <i>exo</i>-2-(η^6^-Hexamethylbenzene)-<i>endo</i>-2-chloro-2-ruthena-<i>arachno</i>-tetraborane(8) | Acta Crystallographica Section C | 1,995 | 51 | 8 | 1503 | 1505 | 10.1107/S0108270195001272 | 0.71073 | MoKα | 0.0353 | 0.0253 | null | 0.0796 | 0.072 | null | null | null | 1.023 | 1.017 | 1.017 | null | null | null | has coordinates | Bown, M.; Ingham, S. L.; Norris, G. E.; Waters, J. M.
<i>exo</i>-2-(η^6^-Hexamethylbenzene)-<i>endo</i>-2-chloro-2-ruthena-<i>arachno</i>-tetraborane(8)
Acta Crystallographica Section C
51(8)
(1995)
1503-1505 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,003,755 | 7.312 | 0.003 | 8.349 | 0.004 | 10.358 | 0.002 | 98.82 | 0.03 | 96.98 | 0.03 | 114.7 | 0.04 | 555.4 | 0.4 | 297 | null | null | null | null | null | null | null | 4 | P -1 | -P 1 | 2 | 3-(3-Nitroanilino)cyclohex-2-en-1-one | - C12 H12 N2 O3 - | - C12 H12 N2 O3 - | - C24 H24 N4 O6 - | 2 | 1 | BK1107 | Huang, K.-S.; Britton, D.; Etter, M. C. | 3-(3-Nitroanilino)cyclohex-2-en-1-one: an Unexpected Product from the Co-Crystallization of <i>m</i>-Nitroaniline with 1,3-Cyclohexanedione | Acta Crystallographica Section C | 1,995 | 51 | 8 | 1661 | 1663 | 10.1107/S0108270195001740 | 0.71073 | MoKα | null | 0.062 | null | null | 0.079 | null | null | null | null | 2.15 | 2.15 | null | null | null | has coordinates | Huang, K.-S.; Britton, D.; Etter, M. C.
3-(3-Nitroanilino)cyclohex-2-en-1-one: an Unexpected Product from the Co-Crystallization of <i>m</i>-Nitroaniline with 1,3-Cyclohexanedione
Acta Crystallographica Section C
51(8)
(1995)
1661-1663 | 301,791 | 2025-08-18 | 23:15:25 | #------------------------------------------------------------------------------
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4,322,355 | 11.939 | 0.002 | 24.516 | 0.003 | 21.572 | 0.003 | 90 | null | 101.52 | 0.01 | 90 | null | 6,186.9 | 1.6 | 293 | 2 | 293 | 2 | null | null | null | null | 8 | P 1 21/n 1 | -P 2yn | 14 | - C44 H94 B2 Li2 N4 O4 P2 Si5 - | - C44 H94 B2 Li2 N4 O4 P2 Si5 - | - C176 H376 B8 Li8 N16 O16 P8 Si20 - | 4 | 1 | Tuqiang Chen; Eileen N. Duesler; Robert T. Paine; Heinrich Nöth | Synthesis and Chemistry of Bis(borylphosphino)silanes and -germanes | Inorganic Chemistry | 1,999 | 38 | 4993 | 4999 | 10.1021/ic990507e | 0.71073 | MoKα | 0.1273 | 0.0377 | null | null | 0.0856 | 0.132 | null | null | null | null | null | 1.001 | null | null | has coordinates | Tuqiang Chen; Eileen N. Duesler; Robert T. Paine; Heinrich Nöth
Synthesis and Chemistry of Bis(borylphosphino)silanes and -germanes
Inorganic Chemistry
38
(1999)
4993-4999 | 301,838 | 2025-08-20 | 22:17:37 | #------------------------------------------------------------------------------
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2,003,756 | 9.8537 | 0.001 | 14.2586 | 0.0013 | 14.7465 | 0.0014 | 90 | null | 90 | null | 90 | null | 2,071.9 | 0.3 | 295 | 2 | 295 | 2 | null | null | null | null | 4 | P 21 21 21 | P 2ac 2ab | 19 | - C25 H25 N O2 - | - C25 H25 N O2 - | - C100 H100 N4 O8 - | 4 | 1 | BK1114 | Clegg, W.; Ranelli, M.; Jackson, R. F. W. | An Epoxyamide | Acta Crystallographica Section C | 1,995 | 51 | 8 | 1604 | 1606 | 10.1107/S0108270195001260 | 1.54184 | CuKα | 0.0512 | 0.048 | null | 0.151 | 0.1369 | null | null | null | 1.04 | 1.046 | 1.046 | null | null | null | has coordinates | Clegg, W.; Ranelli, M.; Jackson, R. F. W.
An Epoxyamide
Acta Crystallographica Section C
51(8)
(1995)
1604-1606 | 301,791 | 2025-08-18 | 23:15:25 | #------------------------------------------------------------------------------
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2,003,757 | 14.454 | 0.002 | 6.305 | 0.0006 | 15.085 | 0.003 | 90 | null | 112.03 | 0.02 | 90 | null | 1,274.4 | 0.4 | 294 | 1 | 294 | 1 | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | ? #Bis(pentafluorophenyl)boron Chloride | - C12 B Cl F10 - | - C12 B Cl F10 - | - C48 B4 Cl4 F40 - | 4 | 1 | BK1115 | Piers, W. E.; von Spence, R. E.; MacGillivray, L. R.; Zaworotko, M. J. | Bis(pentafluorophenyl)boron Chloride | Acta Crystallographica Section C | 1,995 | 51 | 8 | 1688 | 1689 | 10.1107/S0108270195002526 | 0.7107 | MoKα | 0.066 | 0.035 | null | 0.034 | 0.033 | null | null | null | null | 2.11 | 2.11 | null | null | null | has coordinates | Piers, W. E.; von Spence, R. E.; MacGillivray, L. R.; Zaworotko, M. J.
Bis(pentafluorophenyl)boron Chloride
Acta Crystallographica Section C
51(8)
(1995)
1688-1689 | 301,791 | 2025-08-18 | 23:15:25 | #------------------------------------------------------------------------------
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2,003,758 | 9.349 | 0.008 | 13.439 | 0.008 | 11.703 | 0.008 | 90 | null | 108.16 | 0.03 | 90 | null | 1,397.1 | 1.8 | 293 | null | null | null | null | null | null | null | see text | 5 | P 1 21/n 1 | -P 2yn | 14 | - C28 H20 N8 S4 Zn2 - | - C28 H20 N8 S4 Zn2 - | - C56 H40 N16 S8 Zn4 - | 2 | 0.5 | BM0001 | Gronlund, P. J.; Wacholtz, W. F.; Mague, J. T. | A Mixed-Ligand Zinc(II) Complex Containing a Bridging Dithiolate Ligand | Acta Crystallographica Section C | 1,995 | 51 | 8 | 1540 | 1543 | 10.1107/S0108270195001995 | 0.71073 | MoKα | null | 0.071 | null | null | 0.083 | null | null | null | null | 2.42 | 2.42 | null | null | null | has coordinates | Gronlund, P. J.; Wacholtz, W. F.; Mague, J. T.
A Mixed-Ligand Zinc(II) Complex Containing a Bridging Dithiolate Ligand
Acta Crystallographica Section C
51(8)
(1995)
1540-1543 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
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2,003,759 | 8.684 | 0.003 | 12.239 | 0.004 | 8.974 | 0.002 | 90 | null | 93.91 | 0.02 | 90 | null | 951.6 | 0.5 | 173 | 1 | 173 | 1 | null | null | null | null | 5 | P 1 21 1 | P 2yb | 4 | (-)-(2S,5R)-2-[(1'R)-1'-(N,N-dimethylsulfamoyl)-2'-methyl-1'-phenylprop- 2'-yl]-5-methylcyclohexan-1-one | - C19 H29 N O3 S - | - C19 H29 N O3 S - | - C38 H58 N2 O6 S2 - | 2 | 1 | BM1003 | Linden, A.; Stanchev, S. | Absolute Configurations of Two Enantiomers of a Substituted Cyclohexanone | Acta Crystallographica Section C | 1,995 | 51 | 8 | 1697 | 1699 | 10.1107/S0108270195002356 | 0.71069 | MoKα | 0.0481 | 0.0368 | null | 0.0363 | 0.0353 | null | null | null | null | 1.754 | 1.754 | null | null | null | has coordinates | Linden, A.; Stanchev, S.
Absolute Configurations of Two Enantiomers of a Substituted Cyclohexanone
Acta Crystallographica Section C
51(8)
(1995)
1697-1699 | 301,791 | 2025-08-18 | 23:15:25 | #------------------------------------------------------------------------------
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2,003,760 | 12.457 | 0.001 | 12.457 | 0.001 | 10.505 | 0.002 | 90 | null | 90 | null | 120 | null | 1,411.7 | 0.3 | 173 | 1 | 173 | 1 | null | null | null | null | 5 | P 32 | P 32 | 145 | (+)-(2S,5R)-2-[(1'S)-1'-(N,N-dimethylsulfamoyl)-2'-methyl-1'-phenylprop- 2'-yl]-5-methylcyclohexan-1-one | - C19 H29 N O3 S - | - C19 H29 N O3 S - | - C57 H87 N3 O9 S3 - | 3 | 1 | BM1003 | Linden, A.; Stanchev, S. | Absolute Configurations of Two Enantiomers of a Substituted Cyclohexanone | Acta Crystallographica Section C | 1,995 | 51 | 8 | 1697 | 1699 | 10.1107/S0108270195002356 | 0.71069 | MoKα | 0.0338 | 0.0295 | null | 0.0297 | 0.0292 | null | null | null | null | 1.768 | 1.768 | null | null | null | has coordinates | Linden, A.; Stanchev, S.
Absolute Configurations of Two Enantiomers of a Substituted Cyclohexanone
Acta Crystallographica Section C
51(8)
(1995)
1697-1699 | 301,791 | 2025-08-18 | 23:15:25 | #------------------------------------------------------------------------------
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2,003,761 | 10.609 | 0.003 | 10.879 | 0.003 | 13.419 | 0.001 | 90 | null | 100.14 | 0.01 | 90 | null | 1,524.6 | 0.6 | 173 | 1 | 173 | 1 | null | null | null | null | (I) was prepared as described by Stanchev, Christov, Simova, Mladenova & Linden (1995). Suitable crystals were obtained by recrystallisation from CHCl~3~/hexane. | 5 | P 1 21 1 | P 2yb | 4 | (-)-(1S,2S,5R)-1-(N,N-Dimethylsulfamoylmethyl)-2-isopropyl-5-methylcyclohexan- 1-ol | - C13 H27 N O3 S - | - C13 H27 N O3 S - | - C52 H108 N4 O12 S4 - | 4 | 2 | BM1004 | Linden, A.; Stanchev, S. | Absolute Configuration of a Substituted Cyclohexanol | Acta Crystallographica Section C | 1,995 | 51 | 8 | 1694 | 1696 | 10.1107/S0108270195002368 | 0.71069 | MoKα | 0.0448 | 0.0335 | null | 0.0318 | 0.0309 | null | null | null | null | 1.705 | 1.705 | null | null | null | has coordinates,has Fobs | Linden, A.; Stanchev, S.
Absolute Configuration of a Substituted Cyclohexanol
Acta Crystallographica Section C
51(8)
(1995)
1694-1696 | 301,791 | 2025-08-18 | 23:15:25 | #------------------------------------------------------------------------------
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2,003,762 | 9.415 | 0.001 | 9.415 | 0.001 | 7.078 | 0.001 | 90 | null | 90 | null | 120 | null | 543.35 | 0.11 | 298 | null | 298 | null | null | null | null | null | 3 | P -6 2 m | P -6 -2 | 189 | σ-Dibarium Diphosphate | - Ba2 O7 P2 - | - Ba2 O9 P2 - | - Ba6 O27 P6 - | 3 | 0.25 | BR1095 | ElBelghitti, A. A.; Elmarzouki, A.; Boukhari, A.; Holt, E. M. | σ-Dibarium Pyrophosphate | Acta Crystallographica Section C | 1,995 | 51 | 8 | 1478 | 1480 | 10.1107/S0108270195001739 | 0.71073 | MoKα | null | 0.0254 | null | null | 0.0333 | null | null | null | null | 0.9 | 0.9 | null | null | null | has coordinates | ElBelghitti, A. A.; Elmarzouki, A.; Boukhari, A.; Holt, E. M.
σ-Dibarium Pyrophosphate
Acta Crystallographica Section C
51(8)
(1995)
1478-1480 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,003,763 | 7.786 | 0.002 | 8.984 | 0.003 | 11.696 | 0.004 | 108.21 | 0.02 | 95.13 | 0.02 | 109.79 | 0.02 | 713.6 | 0.4 | 295 | null | null | null | null | null | null | null | 5 | P -1 | -P 1 | 2 | - C10 H11 Cl4 Cu N3 - | - C10 H11 Cl4 Cu N3 - | - C20 H22 Cl8 Cu2 N6 - | 2 | 1 | CR1092 | Willett, R. D. | 2,2'-Iminodipyridinium Tetrachlorocuprate(II) | Acta Crystallographica Section C | 1,995 | 51 | 8 | 1517 | 1519 | 10.1107/S0108270195002149 | 1.54178 | CuKα | null | 0.064 | null | null | 0.109 | null | null | null | null | 1.74 | 1.74 | null | null | null | has coordinates | Willett, R. D.
2,2'-Iminodipyridinium Tetrachlorocuprate(II)
Acta Crystallographica Section C
51(8)
(1995)
1517-1519 | 278,247 | 2022-09-28 | 15:09:31 | #------------------------------------------------------------------------------
#$Date: 2022-09-28 18:08:17 +0300 (Wed, 28 Sep 2022) $
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2,003,764 | 9.5781 | 0.0008 | 16.3763 | 0.0018 | 17.4396 | 0.0014 | 90 | null | 90 | null | 90 | null | 2,735.5 | 0.4 | 295 | null | null | null | null | null | null | null | 3 | F d d d | -F 2uv 2vw | null | - C12 F14 O2 - | - C1.5 F1.5 O0.5 - | - C12 F12 O4 - | 8 | null | CR1096 | Baenziger, N. C.; Burton, D. J.; Tortelli, V. | 2,3,5,6-Tetrakis(trifluoromethyl)terephthaloyl Difluoride | Acta Crystallographica Section C | 1,995 | 51 | 8 | 1663 | 1665 | 10.1107/S0108270195002125 | 1.5418 | CuKα | null | 0.051 | null | null | 0.087 | null | null | null | null | 1.032 | 1.032 | null | null | null | has coordinates | Baenziger, N. C.; Burton, D. J.; Tortelli, V.
2,3,5,6-Tetrakis(trifluoromethyl)terephthaloyl Difluoride
Acta Crystallographica Section C
51(8)
(1995)
1663-1665 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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4,322,354 | 11.083 | 0.001 | 14.978 | 0.001 | 18.134 | 0.002 | 91.17 | 0.001 | 101.43 | 0.01 | 110.05 | 0.01 | 2,758.9 | 0.5 | 293 | 2 | 293 | 2 | null | null | null | null | 8 | P -1 | -P 1 | 2 | - C44 H86 B2 Ge Li2 N4 O4 P2 - | - C44 H86 B2 Ge Li2 N4 O4 P2 - | - C88 H172 B4 Ge2 Li4 N8 O8 P4 - | 2 | 1 | Tuqiang Chen; Eileen N. Duesler; Robert T. Paine; Heinrich Nöth | Synthesis and Chemistry of Bis(borylphosphino)silanes and -germanes | Inorganic Chemistry | 1,999 | 38 | 4993 | 4999 | 10.1021/ic990507e | 0.71073 | MoKα | 0.0896 | 0.0417 | null | null | 0.081 | 0.0918 | null | null | null | null | null | 1.036 | null | null | has coordinates | Tuqiang Chen; Eileen N. Duesler; Robert T. Paine; Heinrich Nöth
Synthesis and Chemistry of Bis(borylphosphino)silanes and -germanes
Inorganic Chemistry
38
(1999)
4993-4999 | 301,838 | 2025-08-20 | 22:17:37 | #------------------------------------------------------------------------------
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2,003,765 | 11.011 | 0.002 | 11.395 | 0.002 | 11.491 | 0.002 | 114.5 | 0.2 | 101.8 | 0.1 | 93.3 | 0.2 | 1,268 | 2 | 296 | null | null | null | null | null | null | null | Recrystallized | 3 | P -1 | -P 1 | 2 | - C32 H30 O2 - | - C32 H30 O2 - | - C64 H60 O4 - | 2 | 1 | CR1131 | Chen, C.-F.; Xu, J.-H.; Zhu, Y.; Liu, Y.-C. | (±)-3,4-Bis(4-methylphenyl)-1,6-diphenyl-1,6-hexanedione | Acta Crystallographica Section C | 1,995 | 51 | 8 | 1712 | 1714 | 10.1107/S0108270195000850 | 1.5418 | CuKα | null | 0.069 | null | null | 0.068 | null | null | null | null | 0.854 | 0.854 | null | null | null | has coordinates | Chen, C.-F.; Xu, J.-H.; Zhu, Y.; Liu, Y.-C.
(±)-3,4-Bis(4-methylphenyl)-1,6-diphenyl-1,6-hexanedione
Acta Crystallographica Section C
51(8)
(1995)
1712-1714 | 301,791 | 2025-08-18 | 23:15:25 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,003,766 | 7.853 | 0.003 | 11.025 | 0.001 | 22.708 | 0.005 | 90 | null | 95.96 | 0.01 | 90 | null | 1,955.4 | 0.9 | 296 | null | null | null | null | null | null | null | Recrystallized | 5 | P 1 21/n 1 | -P 2yn | 14 | - C19 H10 Cl5 N O2 - | - C19 H10 Cl5 N O2 - | - C76 H40 Cl20 N4 O8 - | 4 | 1 | CR1132 | Chen, C.-F.; Xu, J.-H.; Liu, Y.-C.; Xu, C. | 2,3,5,6-Tetrachloro-4-hydroxyphenyl <i>N</i>-(4-Chlorophenyl)benzenecarboximidate | Acta Crystallographica Section C | 1,995 | 51 | 8 | 1709 | 1711 | 10.1107/S0108270195001247 | 0.7107 | MoKα | null | 0.05 | null | null | 0.047 | null | null | null | null | 1.35 | 1.35 | null | null | null | has coordinates | Chen, C.-F.; Xu, J.-H.; Liu, Y.-C.; Xu, C.
2,3,5,6-Tetrachloro-4-hydroxyphenyl <i>N</i>-(4-Chlorophenyl)benzenecarboximidate
Acta Crystallographica Section C
51(8)
(1995)
1709-1711 | 301,791 | 2025-08-18 | 23:15:25 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,003,767 | 13.663 | 0.004 | 15.342 | 0.003 | 23.557 | 0.005 | 90 | null | 97.64 | 0.03 | 90 | null | 4,894 | 2 | 298 | null | null | null | null | null | null | null | MeOH evaporation | 5 | P 1 21 1 | P 2yb | 4 | - C42 H68 Br N5 O12 - | - C42 H68 Br N5 O12 - | - C168 H272 Br4 N20 O48 - | 4 | 2 | CR1144 | Mayer, S. C.; Carroll, P. J.; Joullié, M. M. | The Cyclic Depsipeptide Backbone of the Didemnins | Acta Crystallographica Section C | 1,995 | 51 | 8 | 1609 | 1614 | 10.1107/S0108270194013405 | 1.54184 | CuKα | null | 0.065 | null | null | 0.077 | null | null | null | null | 2.49 | 2.49 | null | null | null | has coordinates | Mayer, S. C.; Carroll, P. J.; Joullié, M. M.
The Cyclic Depsipeptide Backbone of the Didemnins
Acta Crystallographica Section C
51(8)
(1995)
1609-1614 | 203,832 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2017-11-30 21:25:31 +0200 (Thu, 30 Nov 2017) $
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2,003,768 | 6.8102 | 0.0014 | 9.8841 | 0.0018 | 11.2926 | 0.0018 | 74.487 | 0.016 | 77.343 | 0.015 | 83.58 | 0.023 | 713.5 | 0.2 | 278 | null | null | null | null | null | null | null | 5 | P -1 | -P 1 | 2 | - C12 H17 Cl N4 O3 - | - C12 H17 Cl N4 O3 - | - C24 H34 Cl2 N8 O6 - | 2 | 1 | CR1154 | Brownstein, S. K.; Enright, G. D. | 2,3-Diamino-5-hydrophenazinium Chloride Trihydrate | Acta Crystallographica Section C | 1,995 | 51 | 8 | 1579 | 1581 | 10.1107/S010827019500103X | 1.54056 | CuKα | null | 0.06 | null | null | 0.07 | null | null | null | null | 2.3 | 2.3 | null | null | null | has coordinates | Brownstein, S. K.; Enright, G. D.
2,3-Diamino-5-hydrophenazinium Chloride Trihydrate
Acta Crystallographica Section C
51(8)
(1995)
1579-1581 | 301,791 | 2025-08-18 | 23:15:25 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,003,769 | 5.9355 | 0.0006 | 11.258 | 0.001 | 13.7293 | 0.0007 | 113.667 | 0.006 | 98.617 | 0.007 | 91.947 | 0.008 | 826.27 | 0.13 | 293 | null | null | null | null | null | null | null | 5 | P -1 | -P 1 | 2 | - C10 H18 N4 O4 S3 - | - C10 H18 N4 O4 S3 - | - C20 H36 N8 O8 S6 - | 2 | 1 | CR1160 | Ammon, H. L.; Seymour, R. J.; Huffman, W. M.; D'Silva, T. D. J. | Thiodicarb | Acta Crystallographica Section C | 1,995 | 51 | 8 | 1619 | 1621 | 10.1107/S0108270195000795 | 1.54178 | CuKα | null | 0.037 | null | null | 0.05 | null | null | null | null | 1.23 | 1.23 | null | null | null | has coordinates | Ammon, H. L.; Seymour, R. J.; Huffman, W. M.; D'Silva, T. D. J.
Thiodicarb
Acta Crystallographica Section C
51(8)
(1995)
1619-1621 | 301,791 | 2025-08-18 | 23:15:25 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,003,770 | 7.182 | 0.001 | 8.947 | 0.001 | 18.277 | 0.002 | 90 | null | 91.89 | 0.01 | 90 | null | 1,173.8 | 0.2 | 293 | null | null | null | null | null | null | null | synthesis | 4 | P 1 21/n 1 | -P 2yn | 14 | - C10 H13 N3 O4 - | - C10 H16 N3 O4 - | - C40 H64 N12 O16 - | 4 | 1 | CR1161 | Abboud, K. A.; Summers, S. P.; Palenik, G. J. | Salicylaldehyde Semicarbazone‒Acetic Acid Hydrogen-Bonded Complex | Acta Crystallographica Section C | 1,995 | 51 | 8 | 1707 | 1709 | 10.1107/S0108270195002113 | 0.71073 | MoKα | null | 0.042 | null | null | 0.041 | null | null | null | null | 1.19 | 1.19 | null | null | null | has coordinates | Abboud, K. A.; Summers, S. P.; Palenik, G. J.
Salicylaldehyde Semicarbazone‒Acetic Acid Hydrogen-Bonded Complex
Acta Crystallographica Section C
51(8)
(1995)
1707-1709 | 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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2,003,771 | 5.21 | 0.002 | 9.527 | 0.003 | 16.524 | 0.006 | 90 | null | 90 | null | 90 | null | 820.2 | 0.5 | 295 | null | null | null | null | null | null | null | crystallized from CH~3~CN | 5 | P 21 21 21 | P 2ac 2ab | 19 | - C6 H4 I N S2 - | - C6 H4 I N S2 - | - C24 H16 I4 N4 S8 - | 4 | 1 | CR1162 | Oakley, R. T.; von Spence, R. E.; Richardson, J. F. | Benzo-1,3,2-dithiazolium Iodide | Acta Crystallographica Section C | 1,995 | 51 | 8 | 1654 | 1655 | 10.1107/S0108270195000862 | 0.71073 | MoKα | null | 0.026 | null | null | 0.03 | null | null | null | null | 1.159 | 1.159 | null | null | null | has coordinates | Oakley, R. T.; von Spence, R. E.; Richardson, J. F.
Benzo-1,3,2-dithiazolium Iodide
Acta Crystallographica Section C
51(8)
(1995)
1654-1655 | 301,791 | 2025-08-18 | 23:15:25 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,003,772 | 9.288 | 0.002 | 10.809 | 0.002 | 13.379 | 0.002 | 90 | null | 100.91 | 0.01 | 90 | null | 1,318.9 | 0.4 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | tetrachlorophenyl | - C12 H5 Cl4 N S - | - C12 H5 Cl4 N S - | - C48 H20 Cl16 N4 S4 - | 4 | 1 | CR1176 | Zhang, H.; Refat, H. M.; Biehl, E. | α-(2,3,5,6-Tetrachlorophenyl)-α-(3-thienyl)acetonitrile and α-(3-Methoxyphenyl)-α-(2,3,4,5,6-pentachlorophenyl)acetonitrile | Acta Crystallographica Section C | 1,995 | 51 | 8 | 1667 | 1670 | 10.1107/S0108270195004288 | 0.71073 | MoKα | 0.058 | 0.043 | null | 0.131 | 0.114 | null | null | null | 1.036 | 1.079 | 1.079 | null | null | null | has coordinates | Zhang, H.; Refat, H. M.; Biehl, E.
α-(2,3,5,6-Tetrachlorophenyl)-α-(3-thienyl)acetonitrile and α-(3-Methoxyphenyl)-α-(2,3,4,5,6-pentachlorophenyl)acetonitrile
Acta Crystallographica Section C
51(8)
(1995)
1667-1670 | 301,791 | 2025-08-18 | 23:15:25 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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4,322,353 | 11.071 | 0.002 | 14.937 | 0.003 | 18.08 | 0.004 | 91.31 | 0.03 | 101.23 | 0.03 | 109.95 | 0.03 | 2,743.7 | 1.2 | 293 | 2 | 293 | 2 | null | null | null | null | 8 | P -1 | -P 1 | 2 | - C44 H86 B2 Li2 N4 O4 P2 Si - | - C44 H86 B2 Li2 N4 O4 P2 Si - | - C88 H172 B4 Li4 N8 O8 P4 Si2 - | 2 | 1 | Tuqiang Chen; Eileen N. Duesler; Robert T. Paine; Heinrich Nöth | Synthesis and Chemistry of Bis(borylphosphino)silanes and -germanes | Inorganic Chemistry | 1,999 | 38 | 4993 | 4999 | 10.1021/ic990507e | 0.71073 | MoKα | 0.097 | 0.0447 | null | null | 0.0936 | 0.1059 | null | null | null | null | null | 1.008 | null | null | has coordinates | Tuqiang Chen; Eileen N. Duesler; Robert T. Paine; Heinrich Nöth
Synthesis and Chemistry of Bis(borylphosphino)silanes and -germanes
Inorganic Chemistry
38
(1999)
4993-4999 | 301,838 | 2025-08-20 | 22:17:37 | #------------------------------------------------------------------------------
#$Date: 2025-08-21 01:01:10 +0300 (Thu, 21 Aug 2025) $
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2,003,773 | 7.681 | 0.002 | 8.78 | 0.002 | 12.761 | 0.003 | 100.24 | 0.02 | 99.65 | 0.02 | 108.39 | 0.02 | 780.2 | 0.4 | 293 | 2 | 230 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | pentachlorophenyl | - C15 H8 Cl5 N O - | - C15 H8 Cl5 N O - | - C30 H16 Cl10 N2 O2 - | 2 | 1 | CR1176 | Zhang, H.; Refat, H. M.; Biehl, E. | α-(2,3,5,6-Tetrachlorophenyl)-α-(3-thienyl)acetonitrile and α-(3-Methoxyphenyl)-α-(2,3,4,5,6-pentachlorophenyl)acetonitrile | Acta Crystallographica Section C | 1,995 | 51 | 8 | 1667 | 1670 | 10.1107/S0108270195004288 | 0.71073 | MoKα | 0.144 | 0.056 | null | 0.105 | 0.075 | null | null | null | 1.016 | 1.161 | 1.161 | null | null | null | has coordinates | Zhang, H.; Refat, H. M.; Biehl, E.
α-(2,3,5,6-Tetrachlorophenyl)-α-(3-thienyl)acetonitrile and α-(3-Methoxyphenyl)-α-(2,3,4,5,6-pentachlorophenyl)acetonitrile
Acta Crystallographica Section C
51(8)
(1995)
1667-1670 | 301,791 | 2025-08-18 | 23:15:25 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,003,774 | 9.2037 | 0.0006 | 11.114 | 0.002 | 30.012 | 0.005 | 90 | null | 90 | null | 90 | null | 3,069.9 | 0.8 | 295 | null | null | null | null | null | null | null | 3 | P b c a | -P 2ac 2ab | 61 | - Mo8 O14 Pr - | - Mo8 O14 Pr - | - Mo96 O168 Pr12 - | 12 | 1.5 | DU1118 | Kerihuel, G.; Gougeon, P. | PrMo~8~O~14~, a Fourth Crystalline Form of the Series <i>R</i>Mo~8~O~14~ (<i>R</i> = La, Ce, Pr, Nd, Sm) | Acta Crystallographica Section C | 1,995 | 51 | 8 | 1475 | 1478 | 10.1107/S0108270195002423 | 0.71073 | MoKα | null | 0.042 | null | null | 0.044 | null | null | null | null | 1.649 | 1.649 | null | null | null | has coordinates | Kerihuel, G.; Gougeon, P.
PrMo~8~O~14~, a Fourth Crystalline Form of the Series <i>R</i>Mo~8~O~14~ (<i>R</i> = La, Ce, Pr, Nd, Sm)
Acta Crystallographica Section C
51(8)
(1995)
1475-1478 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
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2,003,775 | 12.884 | 0.005 | 13.675 | 0.006 | 9.844 | 0.006 | 104.77 | 0.04 | 111.99 | 0.03 | 73.95 | 0.04 | 1,523.1 | 1.4 | 293 | null | null | null | null | null | null | null | 6 | P -1 | -P 1 | 2 | - C34 H27 B N6 O2 Zn - | - C34 H27 B N6 O2 Zn - | - C68 H54 B2 N12 O4 Zn2 - | 2 | 1 | FG1030 | Kawabata, S.; Nakata, K.; Ichikawa, K. | Benzoato[hydrotris(3-phenylpyrazol-1-yl-<i>N</i>^2^)borato]zinc(II) | Acta Crystallographica Section C | 1,995 | 51 | 8 | 1554 | 1556 | 10.1107/S0108270195001302 | 1.54184 | CuKα | null | 0.051 | null | null | 0.083 | null | null | null | null | 2.38 | 2.38 | null | null | null | has coordinates | Kawabata, S.; Nakata, K.; Ichikawa, K.
Benzoato[hydrotris(3-phenylpyrazol-1-yl-<i>N</i>^2^)borato]zinc(II)
Acta Crystallographica Section C
51(8)
(1995)
1554-1556 | 301,791 | 2025-08-18 | 23:15:25 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,003,776 | 12.0905 | 0.0015 | 12.0619 | 0.0013 | 13.97 | 0.002 | 89.416 | 0.008 | 81.601 | 0.008 | 75.202 | 0.008 | 1,947.8 | 0.4 | 200 | 1 | 200 | 1 | null | null | null | null | 6 | P -1 | -P 1 | 2 | 1-triphenylphosphine-μ^3^-(2,7,11)-triphenylphosphinecupradihydrido-closo- 1,2-selenacupraoctahydrododecaborane | - C36 H40 B10 Cu2 P2 Se - | - C36 H40 B10 Cu2 P2 Se - | - C72 H80 B20 Cu4 P4 Se2 - | 2 | 1 | FG1040 | Thornton-Pett, M.; Kennedy, J. D.; Breen, S. P.; Spalding, T. R. | <i>exo</i>-2,7,11-μ~3~-[Dihydro(triphenylphosphine)cuprio-2<i>Cu</i>,7<i>H</i>,11<i>H</i>]-2-triphenylphosphine-<i>closo</i>-1,2-selenacupradodecaborane(8) | Acta Crystallographica Section C | 1,995 | 51 | 8 | 1496 | 1498 | 10.1107/S0108270194012011 | 0.71069 | MoKα | 0.0307 | 0.0246 | null | 0.067 | 0.0641 | null | null | null | 1.09 | 1.115 | 1.115 | null | null | null | has coordinates | Thornton-Pett, M.; Kennedy, J. D.; Breen, S. P.; Spalding, T. R.
<i>exo</i>-2,7,11-μ~3~-[Dihydro(triphenylphosphine)cuprio-2<i>Cu</i>,7<i>H</i>,11<i>H</i>]-2-triphenylphosphine-<i>closo</i>-1,2-selenacupradodecaborane(8)
Acta Crystallographica Section C
51(8)
(1995)
1496-1498 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
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2,003,777 | 14.383 | 0.004 | 9.579 | 0.002 | 20.122 | 0.005 | 90 | null | 90 | null | 90 | null | 2,772.3 | 1.2 | 293 | 2 | 293 | 2 | null | null | null | null | moved to publ/section/exptl/prep | 3 | P b c a | -P 2ac 2ab | 61 | (+)-1-Acetoxy-8-hydroxy-1,4,4a,9a-tetrahydro-anthraquinone | - C16 H14 O5 - | - C16 H14 O5 - | - C128 H112 O40 - | 8 | 1 | FG1057 | Bolaños-García, V. M.; Jaramillo-Flores, M. E.; Panneerselvam, K.; Soriano-García, M. | (±)-1-Acetoxy-8-hydroxy-1,4,4a,9a-tetrahydroanthraquinone | Acta Crystallographica Section C | 1,995 | 51 | 8 | 1641 | 1643 | 10.1107/S0108270195001107 | 1.54178 | CuKα | 0.0545 | 0.0478 | null | 0.1427 | 0.1344 | null | null | null | 1.081 | 1.104 | 1.104 | null | null | null | has coordinates | Bolaños-García, V. M.; Jaramillo-Flores, M. E.; Panneerselvam, K.; Soriano-García, M.
(±)-1-Acetoxy-8-hydroxy-1,4,4a,9a-tetrahydroanthraquinone
Acta Crystallographica Section C
51(8)
(1995)
1641-1643 | 301,791 | 2025-08-18 | 23:15:25 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,003,778 | 8.502 | 0.002 | 21.675 | 0.013 | 8.741 | 0.003 | 90 | null | 115.76 | 0.02 | 90 | null | 1,450.7 | 1.1 | 298 | 2 | 298 | 2 | null | null | null | null | 3 | P 1 21/n 1 | -P 2yn | 14 | 1(R)-methyl-4(1'(R)-phenylethyl)-1H-2,3-benzodiazepine | - C18 H18 N2 - | - C18 H18 N2 - | - C72 H72 N8 - | 4 | 1 | HA1139 | Blake, A. J.; Harding, M.; Sharp, J. T. | 4-Substituted 1-Methyl-1<i>H</i>-2,3-benzodiazepine Compounds | Acta Crystallographica Section C | 1,995 | 51 | 8 | 1621 | 1627 | 10.1107/S0108270195001120 | 0.71073 | MoKα | 0.0559 | 0.0452 | null | 0.1281 | 0.1194 | null | null | null | 1.033 | 1.065 | 1.065 | null | null | null | has coordinates | Blake, A. J.; Harding, M.; Sharp, J. T.
4-Substituted 1-Methyl-1<i>H</i>-2,3-benzodiazepine Compounds
Acta Crystallographica Section C
51(8)
(1995)
1621-1627 | 301,791 | 2025-08-18 | 23:15:25 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,003,779 | 11.7871 | 0.0009 | 10.3877 | 0.0007 | 12.4807 | 0.0008 | 90 | null | 102.276 | 0.006 | 90 | null | 1,493.21 | 0.18 | 298 | 2 | 298 | 2 | null | null | null | null | 3 | P 1 21/c 1 | -P 2ybc | 14 | 1(R)-methyl-4(1'(R),2',2'-trimethylpropyl)-1H-2,3-benzodiazepine | - C16 H22 N2 - | - C16 H22 N2 - | - C64 H88 N8 - | 4 | 1 | HA1139 | Blake, A. J.; Harding, M.; Sharp, J. T. | 4-Substituted 1-Methyl-1<i>H</i>-2,3-benzodiazepine Compounds | Acta Crystallographica Section C | 1,995 | 51 | 8 | 1621 | 1627 | 10.1107/S0108270195001120 | 0.71073 | MoKα | 0.0863 | 0.0435 | null | 0.1226 | 0.1133 | null | null | null | 1.035 | 1.219 | 1.219 | null | null | null | has coordinates | Blake, A. J.; Harding, M.; Sharp, J. T.
4-Substituted 1-Methyl-1<i>H</i>-2,3-benzodiazepine Compounds
Acta Crystallographica Section C
51(8)
(1995)
1621-1627 | 301,791 | 2025-08-18 | 23:15:25 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,003,780 | 12.852 | 0.006 | 10.605 | 0.005 | 12.331 | 0.006 | 90 | null | 111.07 | 0.03 | 90 | null | 1,568.3 | 1.3 | 298 | 2 | 298 | 2 | null | null | null | null | 3 | P 1 21/c 1 | -P 2ybc | 14 | 1(R)-methyl-4(1'(R)-ethyl-2',2'-dimethylpropyl)-1H-2,3-benzodiazepine | - C17 H24 N2 - | - C17 H24 N2 - | - C68 H96 N8 - | 4 | 1 | HA1139 | Blake, A. J.; Harding, M.; Sharp, J. T. | 4-Substituted 1-Methyl-1<i>H</i>-2,3-benzodiazepine Compounds | Acta Crystallographica Section C | 1,995 | 51 | 8 | 1621 | 1627 | 10.1107/S0108270195001120 | 0.71073 | MoKα | 0.1076 | 0.0486 | null | 0.1433 | 0.1251 | null | null | null | 1.054 | 1.208 | 1.208 | null | null | null | has coordinates | Blake, A. J.; Harding, M.; Sharp, J. T.
4-Substituted 1-Methyl-1<i>H</i>-2,3-benzodiazepine Compounds
Acta Crystallographica Section C
51(8)
(1995)
1621-1627 | 301,791 | 2025-08-18 | 23:15:25 | #------------------------------------------------------------------------------
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2,003,781 | 6.35 | 0.005 | 10.954 | 0.008 | 21.118 | 0.018 | 90 | null | 90 | null | 90 | null | 1,469 | 2 | 150 | 0.2 | 150 | 0.2 | null | null | null | null | 4 | P 21 21 21 | P 2ac 2ab | 19 | 1-methyl-4(1'-methoxy-benzyl)-1H-2,3-benzodiazepine | - C18 H18 N2 O - | - C18 H18 N2 O - | - C72 H72 N8 O4 - | 4 | 1 | HA1139 | Blake, A. J.; Harding, M.; Sharp, J. T. | 4-Substituted 1-Methyl-1<i>H</i>-2,3-benzodiazepine Compounds | Acta Crystallographica Section C | 1,995 | 51 | 8 | 1621 | 1627 | 10.1107/S0108270195001120 | 0.71073 | MoKα | 0.0691 | 0.0552 | null | 0.1591 | 0.1379 | null | null | null | 1.035 | 1.057 | 1.057 | null | null | null | has coordinates | Blake, A. J.; Harding, M.; Sharp, J. T.
4-Substituted 1-Methyl-1<i>H</i>-2,3-benzodiazepine Compounds
Acta Crystallographica Section C
51(8)
(1995)
1621-1627 | 301,791 | 2025-08-18 | 23:15:25 | #------------------------------------------------------------------------------
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2,003,782 | 7.7357 | 0.0009 | 9.4583 | 0.001 | 11.0128 | 0.0013 | 102.929 | 0.008 | 101.797 | 0.006 | 100.792 | 0.005 | 745.48 | 0.15 | 298 | 2 | 298 | 2 | null | null | null | null | 4 | P -1 | -P 1 | 2 | 1(S)-methyl-4(1'(R)-methoxy-2',2'-dimethylpropyl)-1H-2,3-benzodiazepine | - C16 H22 N2 O - | - C16 H22 N2 O - | - C32 H44 N4 O2 - | 2 | 1 | HA1139 | Blake, A. J.; Harding, M.; Sharp, J. T. | 4-Substituted 1-Methyl-1<i>H</i>-2,3-benzodiazepine Compounds | Acta Crystallographica Section C | 1,995 | 51 | 8 | 1621 | 1627 | 10.1107/S0108270195001120 | 0.71073 | MoKα | 0.037 | 0.0336 | null | 0.0991 | 0.0925 | null | null | null | 1.096 | 1.132 | 1.132 | null | null | null | has coordinates | Blake, A. J.; Harding, M.; Sharp, J. T.
4-Substituted 1-Methyl-1<i>H</i>-2,3-benzodiazepine Compounds
Acta Crystallographica Section C
51(8)
(1995)
1621-1627 | 301,791 | 2025-08-18 | 23:15:25 | #------------------------------------------------------------------------------
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2,003,783 | 12.962 | 0.002 | 13.4604 | 0.0008 | 22.2464 | 0.0015 | 90 | null | 90 | null | 90 | null | 3,881.4 | 0.7 | 298 | 2 | 298 | 2 | null | null | null | null | 4 | P c a b | -P 2bc 2ac | 61 | 1(R)-methyl-4(1'(R)-benzoyloxy-2',2'-dimethylpropyl)-1H-2,3-benzodiazepine | - C22 H24 N2 O2 - | - C22 H24 N2 O2 - | - C176 H192 N16 O16 - | 8 | 1 | HA1139 | Blake, A. J.; Harding, M.; Sharp, J. T. | 4-Substituted 1-Methyl-1<i>H</i>-2,3-benzodiazepine Compounds | Acta Crystallographica Section C | 1,995 | 51 | 8 | 1621 | 1627 | 10.1107/S0108270195001120 | 0.71073 | MoKα | 0.046 | 0.0345 | null | 0.0992 | 0.0938 | null | null | null | 1.069 | 1.118 | 1.118 | null | null | null | has coordinates | Blake, A. J.; Harding, M.; Sharp, J. T.
4-Substituted 1-Methyl-1<i>H</i>-2,3-benzodiazepine Compounds
Acta Crystallographica Section C
51(8)
(1995)
1621-1627 | 301,791 | 2025-08-18 | 23:15:25 | #------------------------------------------------------------------------------
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2,003,784 | 10.3302 | 0.0003 | 10.638 | 0.0002 | 9.7044 | 0.0002 | 90 | null | 90 | null | 90 | null | 1,066.44 | 0.04 | 293 | null | 293 | null | null | null | null | null | Associated Octel Company Ltd | 4 | P 21 21 21 | P 2ac 2ab | 19 | 2,6-dichlorophenylguanidinium chloride | 2,6-dichlorophenylguanidinium chloride | - C7 H8 Cl3 N3 - | - C7 H8 Cl3 N3 - | - C28 H32 Cl12 N12 - | 4 | 1 | HA1140 | Barker, J.; Powell, H. R. | 2,6-Dichlorophenylguanidinium Chloride | Acta Crystallographica Section C | 1,995 | 51 | 8 | 1714 | 1716 | 10.1107/S0108270195002150 | 1.5418 | CuKα | 0.0417 | 0.0405 | null | 0.0432 | 0.0429 | null | null | null | null | 1.0991 | 1.0991 | null | null | null | has coordinates | Barker, J.; Powell, H. R.
2,6-Dichlorophenylguanidinium Chloride
Acta Crystallographica Section C
51(8)
(1995)
1714-1716 | 301,791 | 2025-08-18 | 23:15:25 | #------------------------------------------------------------------------------
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4,322,352 | 8.1143 | 0.0005 | 12.6757 | 0.0007 | 16.698 | 0.001 | 80.445 | 0.001 | 76.152 | 0.001 | 86.876 | 0.001 | 1,644.21 | 0.17 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | P -1 | -P 1 | 2 | - C19 H36 Cl4 Cu2 N8 O16 - | - C19 H36 Cl4 Cu2 N8 O16 - | - C38 H72 Cl8 Cu4 N16 O32 - | 2 | 1 | A. McAuley; M. J. Zaworotko; K. Biradha | Stepwise Complexation of Ni(II) and Cu(II) Ions by 6,6'-C-spirobi(cyclam) (cyclam = 1,4,8,11-Tetraazacyclotetradecane), L1. Syntheses and Redox Chemistry of [M(H2L1)]X4 (M = Cu2+, Ni2+), [Cu2(L1)]X4, and [CuNi(L1)]X4 (X = ClO4-) and the X-ray Crystal Structure of [Cu2(L1)](ClO4)4 | Inorganic Chemistry | 1,999 | 38 | 5078 | 5085 | 10.1021/ic9904844 | 0.71073 | MoKα | 0.12 | 0.1056 | null | 0.3328 | 0.32 | null | null | null | 1.099 | 1.185 | 1.185 | null | null | null | has coordinates | A. McAuley; M. J. Zaworotko; K. Biradha
Stepwise Complexation of Ni(II) and Cu(II) Ions by 6,6'-C-spirobi(cyclam) (cyclam = 1,4,8,11-Tetraazacyclotetradecane), L1. Syntheses and Redox Chemistry of [M(H2L1)]X4 (M = Cu2+, Ni2+), [Cu2(L1)]X4, and [CuNi(L1)]X4 (X = ClO4-) and the X-ray Crystal Structure of [Cu2(L1)](ClO4)4... | 179,326 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,003,785 | 7.214 | 0.001 | 10.513 | 0.001 | 19.459 | 0.002 | 90 | null | 90.81 | 0.01 | 90 | null | 1,475.7 | 0.5 | 293 | null | null | null | null | null | null | null | slow evaporation | 5 | P 1 21 1 | P 2yb | 4 | - C13 H16 N4 O3 S - | - C13 H16 N4 O3 S - | - C52 H64 N16 O12 S4 - | 4 | 2 | Tsiveriotis, P.; Hadjiliadis, N.; Dahan, F.; Laussac, J. P. | Methyl 4-Diethylamino-2-formamidothieno[2,3-d]pyrimidine-6-carboxylate | Acta Crystallographica, Section C: Crystal Structure Communications | 1,995 | 51 | 8 | 1607 | 1609 | 10.1107/S0108270194012692 | 0.71073 | MoKα | null | 0.021 | null | null | 0.025 | null | null | null | null | 0.85 | 0.85 | null | null | null | has coordinates | Tsiveriotis, P.; Hadjiliadis, N.; Dahan, F.; Laussac, J. P.
Methyl 4-Diethylamino-2-formamidothieno[2,3-d]pyrimidine-6-carboxylate
Acta Crystallographica, Section C: Crystal Structure Communications
51(8)
(1995)
1607-1609 | 301,791 | 2025-08-18 | 23:15:25 | #------------------------------------------------------------------------------
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2,003,786 | 10.828 | 0.006 | 16.339 | 0.003 | 15.034 | 0.006 | 90 | null | 125.5 | 0.02 | 90 | null | 2,165.4 | 1.6 | 293 | null | null | null | null | null | null | null | 6 | P 1 21/c 1 | -P 2ybc | 14 | - C25 H16 Cl Cu N5 S - | - C25 H16 Cl Cu N5 S - | - C100 H64 Cl4 Cu4 N20 S4 - | 4 | 1 | HR1027 | Parker, O. J.; Breneman, G. L. | <i>cis</i>-Chloro(isothiocyanato)bis(1,10-phenanthroline)copper(II), <i>cis</i>-[CuCl(NCS)(phen)~2~] | Acta Crystallographica Section C | 1,995 | 51 | 8 | 1529 | 1531 | 10.1107/S0108270194007109 | 0.71073 | MoKα | null | 0.043 | null | null | 0.046 | null | null | null | null | 1.26 | 1.26 | null | null | null | has coordinates | Parker, O. J.; Breneman, G. L.
<i>cis</i>-Chloro(isothiocyanato)bis(1,10-phenanthroline)copper(II), <i>cis</i>-[CuCl(NCS)(phen)~2~]
Acta Crystallographica Section C
51(8)
(1995)
1529-1531 | 301,791 | 2025-08-18 | 23:15:25 | #------------------------------------------------------------------------------
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2,003,787 | 12.384 | 0.002 | 7.684 | 0.002 | 15.739 | 0.003 | 90 | null | 111.65 | 0.03 | 90 | null | 1,392 | 0.6 | 294 | null | 294 | null | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | 2,6-DIMETHYLPHENYL(CARBOXYMETHYL)GLYCINATOCOPPER(II)MONOAQUOMONOAMMIN. | - C12 H18 Cu N2 O5 - | - C12 H18 Cu N2 O5 - | - C48 H72 Cu4 N8 O20 - | 4 | 1 | HR1039 | Hidalgo, M. A.; Romerosa, A.; Suárez-Varela, J.; Avila-Rosón, J. C.; Martín-Ramos, J. D. | (Ammine)(aqua)[<i>N</i>-(2,6-dimethylphenyl)-<i>N</i>-(carboxymethyl)glycinato-<i>N</i>,<i>O</i>,<i>O</i>'']copper(II) | Acta Crystallographica Section C | 1,995 | 51 | 8 | 1510 | 1512 | 10.1107/S0108270194015064 | 0.71069 | MoKα | 0.2751 | 0.0387 | null | 0.2601 | 0.0459 | null | null | null | null | 1.9165 | 1.9165 | null | null | null | has coordinates | Hidalgo, M. A.; Romerosa, A.; Suárez-Varela, J.; Avila-Rosón, J. C.; Martín-Ramos, J. D.
(Ammine)(aqua)[<i>N</i>-(2,6-dimethylphenyl)-<i>N</i>-(carboxymethyl)glycinato-<i>N</i>,<i>O</i>,<i>O</i>'']copper(II)
Acta Crystallographica Section C
51(8)
(1995)
1510-1512 | 301,791 | 2025-08-18 | 23:15:25 | #------------------------------------------------------------------------------
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2,003,788 | 12.195 | 0.001 | 12.1952 | null | 6.713 | 0.002 | 90 | null | 90 | null | 120 | null | 864.6 | 0.3 | 293 | null | 293 | null | null | null | null | null | The literature synthesis (Peringer, 1980) produced (1) in crystalline form | 6 | P -3 | -P 3 | 147 | - C14 H36 F6 Hg O12 S8 - | - C14 H36 F6 Hg O12 S8 - | - C14 H36 F6 Hg O12 S8 - | 1 | 0.166667 | HR1049 | Hook, J. M.; Dean, P. A. W.; Hockless, D. C. R. | Hexakis(dimethyl sulfoxide)mercury(II) Trifluoromethanesulfonate, a Standard for Solid-State ^199^Hg NMR | Acta Crystallographica Section C | 1,995 | 51 | 8 | 1547 | 1549 | 10.1107/S010827019500196X | 1.5418 | CuKalpha | null | 0.036 | null | null | 0.046 | null | null | null | null | 2.69 | 2.69 | null | null | null | has coordinates | Hook, J. M.; Dean, P. A. W.; Hockless, D. C. R.
Hexakis(dimethyl sulfoxide)mercury(II) Trifluoromethanesulfonate, a Standard for Solid-State ^199^Hg NMR
Acta Crystallographica Section C
51(8)
(1995)
1547-1549 | 301,791 | 2025-08-18 | 23:15:25 | #------------------------------------------------------------------------------
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2,003,789 | 9.534 | 0.004 | 14.283 | 0.004 | 24.02 | 0.005 | 90 | null | 90 | null | 90 | null | 3,270.9 | 1.8 | 293 | 2 | 293 | 2 | null | null | null | null | 3 | P 21 21 21 | P 2ac 2ab | 19 | oleandrin dihydrate | 16ß-(Acetyloxy)-3ß-[(2,6-dideoxy-3-o-mothyl-L-arabino- hexopyranosyl)oxy]-14-hydroxycard-20-(22)-enolide.dihydrate | - C32 H52 O11 - | - C32 H52 O11 - | - C128 H208 O44 - | 4 | 1 | HR1054 | Panneerselvam, K.; Soriano-García, M. | 16β-(Acetyloxy)-3β-[(2,6-dideoxy-3-<i>O</i>-methyl-<small>L</small>-<i>arabino</i>-hexopyranosyl)oxy]-14-hydroxycard-20(22)-enolide Dihydrate | Acta Crystallographica Section C | 1,995 | 51 | 8 | 1646 | 1648 | 10.1107/S0108270195002216 | 1.54178 | CuKα | 0.0393 | 0.0383 | null | 0.1044 | 0.1033 | null | null | null | 1.109 | 1.117 | 1.117 | null | null | null | has coordinates | Panneerselvam, K.; Soriano-García, M.
16β-(Acetyloxy)-3β-[(2,6-dideoxy-3-<i>O</i>-methyl-<small>L</small>-<i>arabino</i>-hexopyranosyl)oxy]-14-hydroxycard-20(22)-enolide Dihydrate
Acta Crystallographica Section C
51(8)
(1995)
1646-1648 | 301,791 | 2025-08-18 | 23:15:25 | #------------------------------------------------------------------------------
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2,003,790 | 11.679 | 0.001 | 11.31 | 0.001 | 7.847 | 0.001 | 90 | null | 90 | null | 90 | null | 1,036.51 | 0.18 | 238 | 5 | 293 | 2 | null | null | null | null | 4 | P 21 21 21 | P 2ac 2ab | 19 | - C8 H16 O4 S - | - C8 H16 O4 S - | - C32 H64 O16 S4 - | 4 | 1 | HU1071 | Hellier, D. G.; Motevalli, M. | 5-<i>tert</i>-Butyl-5-methyl-1,3,2-dioxathiane 2,2-Dioxide | Acta Crystallographica Section C | 1,995 | 51 | 8 | 1701 | 1703 | 10.1107/S0108270193012314 | 0.71069 | MoKα | 0.0257 | 0.0248 | null | 0.0574 | 0.057 | null | null | null | 1.011 | 1.017 | 1.017 | null | null | null | has coordinates | Hellier, D. G.; Motevalli, M.
5-<i>tert</i>-Butyl-5-methyl-1,3,2-dioxathiane 2,2-Dioxide
Acta Crystallographica Section C
51(8)
(1995)
1701-1703 | 301,791 | 2025-08-18 | 23:15:25 | #------------------------------------------------------------------------------
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2,003,791 | 8.418 | 0.001 | 5.676 | 0.001 | 13.403 | 0.002 | 90 | null | 94.81 | 0.01 | 90 | null | 638.15 | 0.17 | 300 | null | 300 | 2 | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | bis-cupferronato copper(II) | bis-(N-nitroso-N-phenylhydroxylaminato) copper(II) | - C12 H10 Cu N4 O4 - | - C12 H10 Cu N4 O4 - | - C24 H20 Cu2 N8 O8 - | 2 | 0.5 | HU1103 | Elerman, Y.; Atakol, O.; Svoboda, I.; Geselle, M. | Bis(cupferronato)copper(II), [Cu(C~6~H~5~N~2~O~2~)~2~] | Acta Crystallographica Section C | 1,995 | 51 | 8 | 1520 | 1522 | 10.1107/S0108270195002770 | 0.71069 | MoKα | 0.0461 | 0.0292 | null | 0.0632 | 0.0617 | null | null | null | 2.308 | 2.558 | 2.558 | null | null | null | has coordinates | Elerman, Y.; Atakol, O.; Svoboda, I.; Geselle, M.
Bis(cupferronato)copper(II), [Cu(C~6~H~5~N~2~O~2~)~2~]
Acta Crystallographica Section C
51(8)
(1995)
1520-1522 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,003,792 | 9.148 | 0.002 | 11.461 | 0.002 | 10.22 | 0.002 | 90 | null | 90.271 | 0.015 | 90 | null | 1,071.5 | 0.4 | 296 | null | null | null | null | null | null | null | Recrystallized from a CH~2~Cl~2~/acetone | 5 | P 1 21/n 1 | -P 2yn | 14 | - C14 H28 N4 Ni2 P4 - | - C14 H28 N4 Ni2 P4 - | - C28 H56 N8 Ni4 P8 - | 2 | 0.5 | HU1128 | Manojlovic-Muir, Lj.; Muir, K. W.; Rennie, M.-A. | <i>trans</i>,<i>trans</i>-[Ni~2~(CN)~4~(Me~2~PCH~2~PMe~2~)~2~] | Acta Crystallographica Section C | 1,995 | 51 | 8 | 1533 | 1535 | 10.1107/S0108270194014733 | 0.71069 | MoKα | null | 0.029 | null | null | 0.033 | null | null | null | null | 1.79 | 1.79 | null | null | null | has coordinates | Manojlovic-Muir, Lj.; Muir, K. W.; Rennie, M.-A.
<i>trans</i>,<i>trans</i>-[Ni~2~(CN)~4~(Me~2~PCH~2~PMe~2~)~2~]
Acta Crystallographica Section C
51(8)
(1995)
1533-1535 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,003,793 | 17.473 | 0.003 | 10.926 | 0.002 | 16.163 | 0.003 | 90 | null | 91.17 | 0.03 | 90 | null | 3,085 | 1 | 295 | null | null | null | null | null | null | null | 6 | C 1 2/c 1 | -C 2yc | 15 | - C30 H24 Cl2 N6 O8 Zn - | - C30 H24 Cl2 N6 O8 Zn - | - C120 H96 Cl8 N24 O32 Zn4 - | 4 | 0.5 | JZ1001 | Chen, X.-M.; Wang, R.-Q.; Yu, X.-L. | Tris(2,2'-bipyridine)zinc(II) Perchlorate | Acta Crystallographica Section C | 1,995 | 51 | 8 | 1545 | 1547 | 10.1107/S0108270195000321 | 0.71073 | MoKα | null | 0.047 | null | null | 0.0646 | null | null | null | null | 2.05 | 2.05 | null | null | null | has coordinates | Chen, X.-M.; Wang, R.-Q.; Yu, X.-L.
Tris(2,2'-bipyridine)zinc(II) Perchlorate
Acta Crystallographica Section C
51(8)
(1995)
1545-1547 | 301,791 | 2025-08-18 | 23:15:25 | #------------------------------------------------------------------------------
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2,003,794 | 20.32 | 0.003 | 18.618 | 0.004 | 5.095 | 0.002 | 90 | null | 90 | null | 90 | null | 1,927.5 | 0.9 | 294 | null | null | null | null | null | null | null | 4 | P b c a | -P 2ac 2ab | 61 | - C10 H12 N2 O2 - | - C10 H12 N2 O2 - | - C80 H96 N16 O16 - | 8 | 1 | JZ1016 | Sudha, L.; Subramanian, K.; Sivaraman, J.; Sriraghavan, K.; Steiner, Th. | 5-Amino-8-methyl-2-quinolone Monohydrate | Acta Crystallographica Section C | 1,995 | 51 | 8 | 1689 | 1691 | 10.1107/S0108270195001867 | 1.54184 | CuKα | null | 0.054 | null | null | 0.062 | null | null | null | null | 1.22 | 1.22 | null | null | null | has coordinates | Sudha, L.; Subramanian, K.; Sivaraman, J.; Sriraghavan, K.; Steiner, Th.
5-Amino-8-methyl-2-quinolone Monohydrate
Acta Crystallographica Section C
51(8)
(1995)
1689-1691 | 301,791 | 2025-08-18 | 23:15:25 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,003,795 | 9.441 | 0.001 | 9.441 | 0.002 | 39.253 | 0.005 | 90 | null | 90 | null | 90 | null | 3,498.7 | 0.9 | 295 | null | null | null | null | null | null | null | 4 | P 41 21 2 | P 4abw 2nw | 92 | - C19 H23 N O4 - | - C19 H23 N O4 - | - C152 H184 N8 O32 - | 8 | 1 | KA1093 | Stankovic, S.; Lazar, D.; Petrovic, J.; Miljovic, D.; Pejanovic, V.; Courseille, C. | 17β-Hydroxy-3-methoxyestra-1,3,5(10)-triene-6,7-dione 7-Oxime | Acta Crystallographica Section C | 1,995 | 51 | 8 | 1581 | 1583 | 10.1107/S0108270195001375 | 1.54184 | CuKα | null | 0.06 | null | null | 0.063 | null | null | null | null | 1.9 | 1.9 | null | null | null | has coordinates | Stankovic, S.; Lazar, D.; Petrovic, J.; Miljovic, D.; Pejanovic, V.; Courseille, C.
17β-Hydroxy-3-methoxyestra-1,3,5(10)-triene-6,7-dione 7-Oxime
Acta Crystallographica Section C
51(8)
(1995)
1581-1583 | 301,791 | 2025-08-18 | 23:15:25 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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4,322,351 | 7.0155 | 0.0006 | 8.0904 | 0.0009 | 9.2644 | 0.0011 | 112.611 | 0.013 | 90.819 | 0.008 | 92.824 | 0.007 | 484.51 | 0.1 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | P -1 | -P 1 | 2 | - C8 H20 Cu3 N2 O14 P4 - | - C8 H20 Cu3 N2 O14 P4 - | - C8 H20 Cu3 N2 O14 P4 - | 1 | 0.5 | Li-Min Zheng; Hui-Hua Song; Chun-Ying Duan; Xin | Template-Directed One- and Two-Dimensional Copper(II) Diphosphonates: Structures and Characterizations of (NH4)2Cu3(hedp)2(H2O)4, [NH3(CH2)4NH3]Cu3(hedp)2.2H2O, and [NH2(C2H4)2NH2]Cu3(hedp)2 (hedp = 1-Hydroxyethylidenediphosphonate) | Inorganic Chemistry | 1,999 | 38 | 5061 | 5066 | 10.1021/ic990481r | 0.71073 | MoKα | 0.0308 | 0.0297 | null | 0.0849 | 0.0839 | null | null | null | 1.073 | 1.086 | 1.086 | null | null | null | has coordinates | Li-Min Zheng; Hui-Hua Song; Chun-Ying Duan; Xin
Template-Directed One- and Two-Dimensional Copper(II) Diphosphonates: Structures and Characterizations of (NH4)2Cu3(hedp)2(H2O)4, [NH3(CH2)4NH3]Cu3(hedp)2.2H2O, and [NH2(C2H4)2NH2]Cu3(hedp)2 (hedp = 1-Hydroxyethylidenediphosphonate)
Inorganic Chemistry
38
(1999)
5061-5066 | 179,326 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-03-23 15:24:39 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179326 $
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2,003,796 | 24.612 | 0.006 | 60.31 | 0.008 | 9.131 | 0.007 | 90 | null | 90 | null | 90 | null | 13,554 | 11 | 293 | 2 | 293 | 2 | null | null | null | null | synthesis | 4 | F d d 2 | F 2 -2d | 43 | Depogen | - C33 H43 N5 O9 - | - C33 H43 N5 O9 - | - C528 H688 N80 O144 - | 16 | 1 | KA1104 | Böcskei, Z.; Simon, K.; Friesz, A.; Hermecz, I. | Depogen, a Haemorheological Agent | Acta Crystallographica Section C | 1,995 | 51 | 8 | 1587 | 1590 | 10.1107/S0108270195000709 | 1.5418 | CuKα | 0.1266 | 0.0581 | null | 0.2132 | 0.1556 | null | null | null | 1.024 | 1.126 | 1.126 | null | null | null | has coordinates,has disorder,has Fobs | Böcskei, Z.; Simon, K.; Friesz, A.; Hermecz, I.
Depogen, a Haemorheological Agent
Acta Crystallographica Section C
51(8)
(1995)
1587-1590 | 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/2/00/37/2003796.cif $
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2,003,797 | 8.869 | 0.001 | 21.561 | 0.003 | 9.014 | 0.001 | 90 | null | 98.33 | 0.02 | 90 | null | 1,705.5 | 0.4 | 293 | null | null | null | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | - C18 H15 N3 O4 S - | - C18 H15 N3 O4 S - | - C72 H60 N12 O16 S4 - | 4 | 1 | KA1106 | Główka, M. L.; Olubek, Z.; Olczak, A. | 3-Nitro-<i>N</i>-phenyl-4-(phenylamino)benzenesulfonamide | Acta Crystallographica Section C | 1,995 | 51 | 8 | 1639 | 1641 | 10.1107/S0108270195001776 | 1.54178 | CuKα | null | 0.039 | null | null | 0.062 | null | null | null | null | 1.072 | 1.072 | null | null | null | has coordinates | Główka, M. L.; Olubek, Z.; Olczak, A.
3-Nitro-<i>N</i>-phenyl-4-(phenylamino)benzenesulfonamide
Acta Crystallographica Section C
51(8)
(1995)
1639-1641 | 301,791 | 2025-08-18 | 23:15:25 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/37/2003797.cif $
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2,003,798 | 5.522 | 0.005 | 19.389 | 0.017 | 8.208 | 0.006 | 90 | null | 92.68 | 0.07 | 90 | null | 877.8 | 1.3 | 293 | 1 | 293 | 1 | null | null | null | null | 4 | P 1 21 1 | P 2yb | 4 | L-(+)-α-Bromobenzeneacetic acid, (-)-Menthyl ester | - C18 H25 Br O2 - | - C18 H25 Br O2 - | - C36 H50 Br2 O4 - | 2 | 1 | KA1107 | Kolev, T.; Preut, H.; Koniczek, L.; Bleckmann, P.; Juchnovski, I.; Mladenova, M. | <small>L</small>-(+)-α-Bromobenzeneacetic Acid ({-})-Menthyl Ester | Acta Crystallographica Section C | 1,995 | 51 | 8 | 1634 | 1636 | 10.1107/S0108270195001430 | 0.71073 | MoKα | 0.0406 | 0.0292 | null | 0.0401 | 0.0299 | null | null | null | null | 0.68 | 0.68 | null | null | null | has coordinates | Kolev, T.; Preut, H.; Koniczek, L.; Bleckmann, P.; Juchnovski, I.; Mladenova, M.
<small>L</small>-(+)-α-Bromobenzeneacetic Acid ({-})-Menthyl Ester
Acta Crystallographica Section C
51(8)
(1995)
1634-1636 | 301,791 | 2025-08-18 | 23:15:25 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,003,799 | 7.032 | 0.001 | 7.443 | 0.001 | 19.574 | 0.004 | 90 | null | 90 | null | 90 | null | 1,024.5 | 0.3 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 21 21 21 | P 2ac 2ab | 19 | 2-(2-Methoxyphenyl)pyridine-N-oxide | - C12 H11 N O2 - | - C12 H11 N O2 - | - C48 H44 N4 O8 - | 4 | 1 | KA1113 | Wolska, I.; Kubicki, M.; Gawron, M.; Borowiak, T.; Antkowiak, W. Z. | 2-(2-Methoxyphenyl)pyridine 1-Oxide and its 3-Methyl Derivative | Acta Crystallographica Section C | 1,995 | 51 | 8 | 1590 | 1593 | 10.1107/S0108270195002083 | 1.54178 | CuKα | 0.0413 | 0.0398 | null | 0.1164 | 0.1157 | null | null | null | 1.098 | 1.113 | 1.113 | null | null | null | has coordinates | Wolska, I.; Kubicki, M.; Gawron, M.; Borowiak, T.; Antkowiak, W. Z.
2-(2-Methoxyphenyl)pyridine 1-Oxide and its 3-Methyl Derivative
Acta Crystallographica Section C
51(8)
(1995)
1590-1593 | 301,791 | 2025-08-18 | 23:15:25 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,003,800 | 10.677 | 0.002 | 7.75 | 0.001 | 13.961 | 0.003 | 90 | null | 104.77 | 0.01 | 90 | null | 1,117.1 | 0.4 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | 2-(2-methoxyphenyl)-3-methylpyridine-1-oxide | - C13 H13 N O2 - | - C13 H13 N O2 - | - C52 H52 N4 O8 - | 4 | 1 | KA1113 | Wolska, I.; Kubicki, M.; Gawron, M.; Borowiak, T.; Antkowiak, W. Z. | 2-(2-Methoxyphenyl)pyridine 1-Oxide and its 3-Methyl Derivative | Acta Crystallographica Section C | 1,995 | 51 | 8 | 1590 | 1593 | 10.1107/S0108270195002083 | 1.54178 | CuKα | 0.0444 | 0.0371 | null | 0.1047 | 0.0981 | null | null | null | 1.176 | 1.205 | 1.205 | null | null | null | has coordinates | Wolska, I.; Kubicki, M.; Gawron, M.; Borowiak, T.; Antkowiak, W. Z.
2-(2-Methoxyphenyl)pyridine 1-Oxide and its 3-Methyl Derivative
Acta Crystallographica Section C
51(8)
(1995)
1590-1593 | 301,791 | 2025-08-18 | 23:15:25 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,003,801 | 11.028 | 0.002 | 11.308 | 0.003 | 10.988 | 0.003 | 117.1 | 0.02 | 114.48 | 0.02 | 77.16 | 0.02 | 1,109.2 | 0.5 | 294 | null | null | null | null | null | null | null | 6 | P -1 | -P 1 | 2 | - C12 H44 Cl6 Er2 N4 O40 - | - C12 Cl6 Er2 N4 O40 - | - C12 Cl6 Er2 N4 O40 - | 1 | 0.5 | KH1001 | Hu, N.-H.; Wang, Z.-L.; Niu, C.-J.; Ni, J.-Z. | Tetrakis(μ-<small>DL</small>-alanine-<i>O</i>:<i>O</i>')octaaquadierbium(III) Hexaperchlorate | Acta Crystallographica Section C | 1,995 | 51 | 8 | 1565 | 1568 | 10.1107/S0108270194013752 | 0.71073 | MoKα | null | 0.03 | null | null | 0.033 | null | null | null | null | 1.39 | 1.39 | null | null | null | has coordinates | Hu, N.-H.; Wang, Z.-L.; Niu, C.-J.; Ni, J.-Z.
Tetrakis(μ-<small>DL</small>-alanine-<i>O</i>:<i>O</i>')octaaquadierbium(III) Hexaperchlorate
Acta Crystallographica Section C
51(8)
(1995)
1565-1568 | 208,885 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2018-07-06 23:38:22 +0300 (Fri, 06 Jul 2018) $
#$Revision: 208885 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/38/2003801.cif $
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2,003,802 | 7.9455 | 0.0011 | 5.8831 | 0.0007 | 12.56 | 0.002 | 90 | null | 100.822 | 0.011 | 90 | null | 576.67 | 0.14 | 293 | 1 | 293 | 1 | null | null | null | null | Lowe & Tsanaktsidis | 3 | P 1 21/c 1 | -P 2ybc | 14 | (1) Dimethyl 2-methylcubane-1,4-dicarboxylate | - C13 H14 O4 - | - C13 H14 O4 - | - C26 H28 O8 - | 2 | 0.5 | KH1021 | Cristiano, D.; Gable, R. W.; Lowe, D. A.; Tsanaktsidis, J. | Dimethyl 2-Methylcubane-1,4-dicarboxylate and Dimethyl 2,3-Dimethylcubane-1,4-dicarboxylate | Acta Crystallographica Section C | 1,995 | 51 | 8 | 1658 | 1661 | 10.1107/S0108270195002411 | 0.71069 | MoKα | 0.0551 | 0.0465 | null | 0.1279 | 0.1233 | null | null | null | 1.088 | 1.179 | 1.179 | null | null | null | has coordinates,has disorder | Cristiano, D.; Gable, R. W.; Lowe, D. A.; Tsanaktsidis, J.
Dimethyl 2-Methylcubane-1,4-dicarboxylate and Dimethyl 2,3-Dimethylcubane-1,4-dicarboxylate
Acta Crystallographica Section C
51(8)
(1995)
1658-1661 | 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/2/00/38/2003802.cif $
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2,003,803 | 6.5835 | 0.0012 | 9.487 | 0.002 | 10.546 | 0.002 | 74.1 | 0.02 | 83.81 | 0.02 | 87.89 | 0.02 | 629.8 | 0.2 | 293 | 1 | 293 | 1 | null | null | null | null | Cristiano & Tsanaktsidis | 3 | P -1 | -P 1 | 2 | (2) Dimethyl 2,3 Dimethylcubane-1,4-dicarboxylate | - C14 H16 O4 - | - C14 H16 O4 - | - C28 H32 O8 - | 2 | 1 | KH1021 | Cristiano, D.; Gable, R. W.; Lowe, D. A.; Tsanaktsidis, J. | Dimethyl 2-Methylcubane-1,4-dicarboxylate and Dimethyl 2,3-Dimethylcubane-1,4-dicarboxylate | Acta Crystallographica Section C | 1,995 | 51 | 8 | 1658 | 1661 | 10.1107/S0108270195002411 | 0.71069 | MoKα | 0.0551 | 0.0439 | null | 0.133 | 0.1256 | null | null | null | 1.064 | 1.144 | 1.144 | null | null | null | has coordinates | Cristiano, D.; Gable, R. W.; Lowe, D. A.; Tsanaktsidis, J.
Dimethyl 2-Methylcubane-1,4-dicarboxylate and Dimethyl 2,3-Dimethylcubane-1,4-dicarboxylate
Acta Crystallographica Section C
51(8)
(1995)
1658-1661 | 301,791 | 2025-08-18 | 23:15:25 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,003,804 | 10.527 | 0.003 | 12.163 | 0.003 | 12.653 | 0.005 | 107.36 | 0.03 | 104.31 | 0.03 | 108.6 | 0.02 | 1,356.5 | 0.9 | 133 | null | 133 | null | null | null | null | null | 5 | P -1 | -P 1 | 2 | - C50 H58 Cu4 N18 S4 - | - C50 H58 Cu4 N18 S4 - | - C50 H58 Cu4 N18 S4 - | 1 | 0.5 | KH1024 | Brooker, S.; Carter, B. M. | Synthesis and Structure of a Tetracopper(II) Complex of a Pyrrole-Containing Unsymmetrical Binucleating Ligand: [Cu~2~<i>L</i>(NCS)~2~]~2~ | Acta Crystallographica Section C | 1,995 | 51 | 8 | 1522 | 1524 | 10.1107/S0108270195001363 | 0.71073 | MoKα | 0.0807 | 0.045 | null | 0.0966 | 0.0838 | null | null | null | 1.052 | 1.103 | 1.103 | null | null | null | has coordinates | Brooker, S.; Carter, B. M.
Synthesis and Structure of a Tetracopper(II) Complex of a Pyrrole-Containing Unsymmetrical Binucleating Ligand: [Cu~2~<i>L</i>(NCS)~2~]~2~
Acta Crystallographica Section C
51(8)
(1995)
1522-1524 | 301,791 | 2025-08-18 | 23:15:25 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/38/2003804.cif $
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2,003,805 | 8.128 | 0.003 | 10.174 | 0.003 | 11.191 | 0.004 | 115.19 | 0.03 | 97.27 | 0.03 | 105.55 | 0.03 | 775.4 | 0.6 | 298 | null | null | null | null | null | null | null | see text | 5 | P -1 | -P 1 | 2 | - C40 H28 N2 Ni O6 - | - C40 H28 N2 Ni O6 - | - C40 H28 N2 Ni O6 - | 1 | 0.5 | LI1124 | Farina, Y.; Yamin, B. M.; Fun, H.-K.; Yip, B.-C.; Teoh, S.-G. | <i>trans</i>-Bis(3-hydroxy-2-phenyl-4<i>H</i>-1-benzopyran-4-onato)bis(pyridine)nickel(II) | Acta Crystallographica Section C | 1,995 | 51 | 8 | 1537 | 1540 | 10.1107/S0108270195000825 | 0.7107 | MoKα | null | 0.0389 | null | null | 0.0477 | null | null | null | null | 1.24 | 1.24 | null | null | null | has coordinates | Farina, Y.; Yamin, B. M.; Fun, H.-K.; Yip, B.-C.; Teoh, S.-G.
<i>trans</i>-Bis(3-hydroxy-2-phenyl-4<i>H</i>-1-benzopyran-4-onato)bis(pyridine)nickel(II)
Acta Crystallographica Section C
51(8)
(1995)
1537-1540 | 301,791 | 2025-08-18 | 23:15:25 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/38/2003805.cif $
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4,322,350 | 7.484 | 0.0012 | 8.032 | 0.003 | 10.007 | 0.002 | 111.68 | 0.02 | 96.188 | 0.014 | 96.97 | 0.02 | 547.2 | 0.3 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | P -1 | -P 1 | 2 | - C4 H13 Cu1.5 N O8 P2 - | - C3.999 H12.997 Cu1.5 N O8 P2 - | - C7.998 H25.994 Cu3 N2 O16 P4 - | 2 | 1 | Li-Min Zheng; Hui-Hua Song; Chun-Ying Duan; Xin | Template-Directed One- and Two-Dimensional Copper(II) Diphosphonates: Structures and Characterizations of (NH4)2Cu3(hedp)2(H2O)4, [NH3(CH2)4NH3]Cu3(hedp)2.2H2O, and [NH2(C2H4)2NH2]Cu3(hedp)2 (hedp = 1-Hydroxyethylidenediphosphonate) | Inorganic Chemistry | 1,999 | 38 | 5061 | 5066 | 10.1021/ic990481r | 0.71073 | MoKα | 0.0617 | 0.0527 | null | 0.1523 | 0.1432 | null | null | null | 1.057 | 1.084 | 1.084 | null | null | null | has coordinates,has disorder | Li-Min Zheng; Hui-Hua Song; Chun-Ying Duan; Xin
Template-Directed One- and Two-Dimensional Copper(II) Diphosphonates: Structures and Characterizations of (NH4)2Cu3(hedp)2(H2O)4, [NH3(CH2)4NH3]Cu3(hedp)2.2H2O, and [NH2(C2H4)2NH2]Cu3(hedp)2 (hedp = 1-Hydroxyethylidenediphosphonate)
Inorganic Chemistry
38
(1999)
5061-5066 | 176,467 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
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2,003,806 | 13.188 | 0.002 | 7.722 | 0.001 | 21.178 | 0.003 | 90 | null | 90 | null | 90 | null | 2,156.7 | 0.5 | 298 | null | null | null | null | null | null | null | prepared in the laboratory | 5 | P b c a | -P 2ac 2ab | 61 | - C13 H9 N O S - | - C13 H9 N O S - | - C104 H72 N8 O8 S8 - | 8 | 1 | LI1128 | Teo, S.-B.; Okechuckwu, R. C.; Teoh, S.-G.; Fun, H.-K.; Chinnakali, K. | 2-(4-Hydroxyphenyl)benzothiazole | Acta Crystallographica Section C | 1,995 | 51 | 8 | 1629 | 1630 | 10.1107/S0108270195002071 | 0.71069 | MoKα | null | 0.0371 | null | null | 0.0573 | null | null | null | null | 1.34 | 1.34 | null | null | null | has coordinates | Teo, S.-B.; Okechuckwu, R. C.; Teoh, S.-G.; Fun, H.-K.; Chinnakali, K.
2-(4-Hydroxyphenyl)benzothiazole
Acta Crystallographica Section C
51(8)
(1995)
1629-1630 | 301,791 | 2025-08-18 | 23:15:25 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/38/2003806.cif $
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2,003,807 | 7.242 | 0.003 | 8.454 | 0.003 | 12.23 | 0.006 | 74.53 | 0.03 | 74.15 | 0.03 | 78.64 | 0.03 | 688 | 0.5 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | P -1 | -P 1 | 2 | Mono-[N-(3-aminopropyl)-1,3-propanediamine] diaquasulfatonickel(II) monohydrate | - C6 H23 N3 Ni O7 S - | - C6 H23 N3 Ni O7 S - | - C12 H46 N6 Ni2 O14 S2 - | 2 | 1 | LI1131 | Mukherjee, M.; Mukherjee, A. K.; Pariya, C.; Ray Chaudhuri, N. | [<i>N</i>-(3-Aminopropyl)-1,3-propanediamine]diaquasulfatonickel(II) Monohydrate, [Ni(SO~4~)(dpt)(H~2~O)~2~].H~2~O [dpt = NH~2~(CH~2~)~3~NH(CH~2~)~3~NH~2~] | Acta Crystallographica Section C | 1,995 | 51 | 8 | 1543 | 1545 | 10.1107/S0108270195000813 | 0.71073 | MoKα | 0.0329 | 0.0246 | null | 0.0789 | 0.0579 | null | null | null | 0.944 | 0.947 | 0.947 | null | null | null | has coordinates | Mukherjee, M.; Mukherjee, A. K.; Pariya, C.; Ray Chaudhuri, N.
[<i>N</i>-(3-Aminopropyl)-1,3-propanediamine]diaquasulfatonickel(II) Monohydrate, [Ni(SO~4~)(dpt)(H~2~O)~2~].H~2~O [dpt = NH~2~(CH~2~)~3~NH(CH~2~)~3~NH~2~]
Acta Crystallographica Section C
51(8)
(1995)
1543-1545 | 301,791 | 2025-08-18 | 23:15:25 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/38/2003807.cif $
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2,003,808 | 10.06 | 0.002 | 13.953 | 0.005 | 23.804 | 0.004 | 90 | null | 95.27 | 0.01 | 90 | null | 3,327.2 | 1.5 | 293 | null | null | null | null | null | null | null | 4 | C 1 2/c 1 | -C 2yc | 15 | - C24 H38 La2 O16 - | - C24 H38 La2 O16 - | - C96 H152 La8 O64 - | 4 | 0.5 | MU1143 | Lu, W.-M.; Wu, J.-B.; Dong, N.; Chun, W.-G.; Gu, J.-M.; Liang, K.-L. | <i>catena</i>-Diaquatris(α-methylacrylato)lanthanum(III) | Acta Crystallographica Section C | 1,995 | 51 | 8 | 1568 | 1570 | 10.1107/S0108270194013223 | 0.71073 | MoKα | null | 0.0471 | null | null | 0.056 | null | null | null | null | 5.991 | 5.991 | null | null | null | has coordinates | Lu, W.-M.; Wu, J.-B.; Dong, N.; Chun, W.-G.; Gu, J.-M.; Liang, K.-L.
<i>catena</i>-Diaquatris(α-methylacrylato)lanthanum(III)
Acta Crystallographica Section C
51(8)
(1995)
1568-1570 | 191,094 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2017-01-30 15:55:43 +0200 (Mon, 30 Jan 2017) $
#$Revision: 191094 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/38/2003808.cif $
#-------------------------------------------------------------------... | |||||||||||
2,003,809 | 25.64 | 0.005 | 8.4901 | 0.0008 | 17.662 | 0.002 | 90 | null | 94.22 | 0.01 | 90 | null | 3,834.3 | 0.9 | 298 | null | null | null | null | null | null | null | evaporation from CH~2~Cl~2~/n-hexane | 5 | C 1 2/c 1 | -C 2yc | 15 | - C39 H30 Cr2 O10 P2 - | - C39 H30 Cr2 O10 P2 - | - C156 H120 Cr8 O40 P8 - | 4 | 0.5 | MU1146 | Ueng, C.-H.; Shih, G.-Y. | [<i>M</i>~2~(CO)~10~(μ-dppp~e~)] [<i>M</i> = Cr, W; dppp~e~ = Ph~2~P(CH~2~)~5~PPh~2~] | Acta Crystallographica Section C | 1,995 | 51 | 8 | 1524 | 1526 | 10.1107/S0108270194014605 | 0.71073 | MoKα | null | 0.034 | null | null | 0.029 | null | null | null | null | 3.13 | 3.13 | null | null | null | has coordinates | Ueng, C.-H.; Shih, G.-Y.
[<i>M</i>~2~(CO)~10~(μ-dppp~e~)] [<i>M</i> = Cr, W; dppp~e~ = Ph~2~P(CH~2~)~5~PPh~2~]
Acta Crystallographica Section C
51(8)
(1995)
1524-1526 | 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/2/00/38/2003809.cif $
#-------------------------------------------------------------------... | ||||||||||
2,003,810 | 25.956 | 0.004 | 8.553 | 0.001 | 17.784 | 0.003 | 90 | null | 94.04 | 0.01 | 90 | null | 3,938.3 | 1 | 298 | null | null | null | null | null | null | null | evaporation from CH~2~Cl~2~/n-hexane | 5 | C 1 2/c 1 | -C 2yc | 15 | - C39 H30 O10 P2 W2 - | - C39 H30 O10 P2 W2 - | - C156 H120 O40 P8 W8 - | 4 | 0.5 | MU1146 | Ueng, C.-H.; Shih, G.-Y. | [<i>M</i>~2~(CO)~10~(μ-dppp~e~)] [<i>M</i> = Cr, W; dppp~e~ = Ph~2~P(CH~2~)~5~PPh~2~] | Acta Crystallographica Section C | 1,995 | 51 | 8 | 1524 | 1526 | 10.1107/S0108270194014605 | 0.71073 | MoKα | null | 0.028 | null | null | 0.026 | null | null | null | null | 2.92 | 2.92 | null | null | null | has coordinates | Ueng, C.-H.; Shih, G.-Y.
[<i>M</i>~2~(CO)~10~(μ-dppp~e~)] [<i>M</i> = Cr, W; dppp~e~ = Ph~2~P(CH~2~)~5~PPh~2~]
Acta Crystallographica Section C
51(8)
(1995)
1524-1526 | 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/2/00/38/2003810.cif $
#-------------------------------------------------------------------... | ||||||||||
2,003,811 | 11.002 | 0.006 | 8.857 | 0.004 | 12.246 | 0.005 | 90 | null | 91.38 | 0.03 | 90 | null | 1,193 | 1 | 293 | null | null | null | null | null | null | null | see text | 4 | P 1 21/a 1 | -P 2yab | 14 | - C12 H10 As I - | - C12 H10 As I - | - C48 H40 As4 I4 - | 4 | 1 | MU1163 | Begley, M. J.; Sowerby, D. B.; Silaghi-Dumitrescu, L. | Diphenylarsenic(III) Iodide | Acta Crystallographica Section C | 1,995 | 51 | 8 | 1632 | 1634 | 10.1107/S0108270195001466 | 0.71073 | MoKα | null | 0.039 | null | null | 0.045 | null | null | null | null | null | null | null | null | null | has coordinates | Begley, M. J.; Sowerby, D. B.; Silaghi-Dumitrescu, L.
Diphenylarsenic(III) Iodide
Acta Crystallographica Section C
51(8)
(1995)
1632-1634 | 301,791 | 2025-08-18 | 23:15:25 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/38/2003811.cif $
#-------------------------------------------------------------------... | ||||||||||
2,003,812 | 19.656 | 0.003 | 35.939 | 0.002 | 12.149 | 0.002 | 90 | null | 90 | null | 90 | null | 8,582 | 2 | 298 | null | null | null | null | null | null | null | see text | 6 | F d d 2 | F 2 -2d | 43 | - C10 H28 La N2 Na O16 - | - C10 H16 La N2 Na O16 - | - C160 H256 La16 N32 Na16 O256 - | 16 | 1 | MU1164 | Nakamura, K.; Kurisaki, T.; Wakita, H.; Yamaguchi, T. | Sodium Triaqua(ethylenediaminetetraacetato)lanthanate(III) Pentahydrate and the Isomorphous Neodymium(III) and Europium(III) Salts | Acta Crystallographica Section C | 1,995 | 51 | 8 | 1559 | 1563 | 10.1107/S0108270195001843 | 0.71073 | MoKα | null | 0.027 | null | null | 0.034 | null | null | null | null | 1.93 | 1.93 | null | null | null | has coordinates | Nakamura, K.; Kurisaki, T.; Wakita, H.; Yamaguchi, T.
Sodium Triaqua(ethylenediaminetetraacetato)lanthanate(III) Pentahydrate and the Isomorphous Neodymium(III) and Europium(III) Salts
Acta Crystallographica Section C
51(8)
(1995)
1559-1563 | 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/2/00/38/2003812.cif $
#-------------------------------------------------------------------... | ||||||||||
2,003,813 | 19.543 | 0.005 | 35.683 | 0.008 | 12.142 | 0.005 | 90 | null | 90 | null | 90 | null | 8,467 | 5 | 298 | null | null | null | null | null | null | null | see text | 6 | F d d 2 | F 2 -2d | 43 | - C10 H28 N2 Na Nd O16 - | - C10 N2 Na Nd O16 - | - C160 N32 Na16 Nd16 O256 - | 16 | 1 | MU1164 | Nakamura, K.; Kurisaki, T.; Wakita, H.; Yamaguchi, T. | Sodium Triaqua(ethylenediaminetetraacetato)lanthanate(III) Pentahydrate and the Isomorphous Neodymium(III) and Europium(III) Salts | Acta Crystallographica Section C | 1,995 | 51 | 8 | 1559 | 1563 | 10.1107/S0108270195001843 | 0.71073 | MoKα | null | 0.025 | null | null | 0.031 | null | null | null | null | 1.56 | 1.56 | null | null | null | has coordinates | Nakamura, K.; Kurisaki, T.; Wakita, H.; Yamaguchi, T.
Sodium Triaqua(ethylenediaminetetraacetato)lanthanate(III) Pentahydrate and the Isomorphous Neodymium(III) and Europium(III) Salts
Acta Crystallographica Section C
51(8)
(1995)
1559-1563 | 191,094 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2017-01-30 15:55:43 +0200 (Mon, 30 Jan 2017) $
#$Revision: 191094 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/38/2003813.cif $
#-------------------------------------------------------------------... | ||||||||||
2,003,814 | 19.46 | 0.003 | 35.583 | 0.003 | 12.127 | 0.003 | 90 | null | 90 | null | 90 | null | 8,397 | 3 | 298 | null | null | null | null | null | null | null | see text | 6 | F d d 2 | F 2 -2d | 43 | - C10 H28 Eu N2 Na O16 - | - C10 Eu N2 Na O16 - | - C160 Eu16 N32 Na16 O256 - | 16 | 1 | MU1164 | Nakamura, K.; Kurisaki, T.; Wakita, H.; Yamaguchi, T. | Sodium Triaqua(ethylenediaminetetraacetato)lanthanate(III) Pentahydrate and the Isomorphous Neodymium(III) and Europium(III) Salts | Acta Crystallographica Section C | 1,995 | 51 | 8 | 1559 | 1563 | 10.1107/S0108270195001843 | 0.71073 | MoKα | null | 0.028 | null | null | 0.032 | null | null | null | null | 1.97 | 1.97 | null | null | null | has coordinates | Nakamura, K.; Kurisaki, T.; Wakita, H.; Yamaguchi, T.
Sodium Triaqua(ethylenediaminetetraacetato)lanthanate(III) Pentahydrate and the Isomorphous Neodymium(III) and Europium(III) Salts
Acta Crystallographica Section C
51(8)
(1995)
1559-1563 | 191,094 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2017-01-30 15:55:43 +0200 (Mon, 30 Jan 2017) $
#$Revision: 191094 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/38/2003814.cif $
#-------------------------------------------------------------------... | ||||||||||
4,322,349 | 6.2137 | 0.0013 | 14.7472 | 0.0015 | 11.1802 | 0.0012 | 90 | null | 105.834 | 0.015 | 90 | null | 985.6 | 0.3 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | P 1 21/n 1 | -P 2yn | 14 | - C4 H24 Cu3 N2 O18 P4 - | - C4 H24 Cu3 N2 O18 P4 - | - C8 H48 Cu6 N4 O36 P8 - | 2 | 0.5 | Li-Min Zheng; Hui-Hua Song; Chun-Ying Duan; Xin | Template-Directed One- and Two-Dimensional Copper(II) Diphosphonates: Structures and Characterizations of (NH4)2Cu3(hedp)2(H2O)4, [NH3(CH2)4NH3]Cu3(hedp)2.2H2O, and [NH2(C2H4)2NH2]Cu3(hedp)2 (hedp = 1-Hydroxyethylidenediphosphonate) | Inorganic Chemistry | 1,999 | 38 | 5061 | 5066 | 10.1021/ic990481r | 0.71073 | MoKα | 0.0439 | 0.0435 | null | 0.1174 | 0.1168 | null | null | null | 1.103 | 1.105 | 1.105 | null | null | null | has coordinates | Li-Min Zheng; Hui-Hua Song; Chun-Ying Duan; Xin
Template-Directed One- and Two-Dimensional Copper(II) Diphosphonates: Structures and Characterizations of (NH4)2Cu3(hedp)2(H2O)4, [NH3(CH2)4NH3]Cu3(hedp)2.2H2O, and [NH2(C2H4)2NH2]Cu3(hedp)2 (hedp = 1-Hydroxyethylidenediphosphonate)
Inorganic Chemistry
38
(1999)
5061-5066 | 179,326 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-03-23 15:24:39 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179326 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/23/4322349.cif $
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2,003,815 | 7.494 | 0.001 | 7.538 | 0.003 | 38.3 | 0.09 | 90 | null | 90 | null | 90 | null | 2,164 | 5 | 293 | 2 | 293 | 2 | null | null | null | null | chemical synthesis | 5 | P 21 21 21 | P 2ac 2ab | 19 | (1S)-2-[(1R,1'R)-bis(1-Methylpropyl)amino]-1-[(5S)-1-(2-chlorophenyl) methyl-2-oxo-5-pyrrolidinyl]ethanol | - C21 H33 Cl N2 O2 - | - C21 H33 Cl N2 O2 - | - C84 H132 Cl4 N8 O8 - | 4 | 1 | MU1165 | Ianelli, S.; Nardelli, M.; Fraire, C.; Grancini, G.; Napoletano, M.; Santangelo, F. | Three Stereoisomers of a Novel and Selective μ-Opioid Analgesic | Acta Crystallographica Section C | 1,995 | 51 | 8 | 1675 | 1680 | 10.1107/S0108270195001478 | 1.54056 | CuKα | 0.2612 | 0.0784 | null | 0.327 | 0.2139 | null | null | null | 0.904 | 1.236 | 1.236 | null | null | null | has coordinates | Ianelli, S.; Nardelli, M.; Fraire, C.; Grancini, G.; Napoletano, M.; Santangelo, F.
Three Stereoisomers of a Novel and Selective μ-Opioid Analgesic
Acta Crystallographica Section C
51(8)
(1995)
1675-1680 | 301,791 | 2025-08-18 | 23:15:25 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/38/2003815.cif $
#-------------------------------------------------------------------... | |||||||||
2,003,816 | 17.224 | 0.003 | 17.224 | 0.003 | 7.416 | 0.002 | 90 | null | 90 | null | 90 | null | 2,200.1 | 0.8 | 293 | 2 | 293 | 2 | null | null | null | null | chemical synthesis | 5 | P 43 | P 4cw | 78 | (1S)-2-[(1S,1'S)-bis(1-Methylpropyl)amino]-1-[(5S)-1-(2-chlorophenyl) methyl-2-oxo-5-pyrrolidinyl]ethanol | - C21 H33 Cl N2 O2 - | - C21 H33 Cl N2 O2 - | - C84 H132 Cl4 N8 O8 - | 4 | 1 | MU1165 | Ianelli, S.; Nardelli, M.; Fraire, C.; Grancini, G.; Napoletano, M.; Santangelo, F. | Three Stereoisomers of a Novel and Selective μ-Opioid Analgesic | Acta Crystallographica Section C | 1,995 | 51 | 8 | 1675 | 1680 | 10.1107/S0108270195001478 | 1.54178 | CuKα | 0.1211 | 0.0616 | null | 0.1876 | 0.1527 | null | null | null | 0.958 | 1.139 | 1.139 | null | null | null | has coordinates | Ianelli, S.; Nardelli, M.; Fraire, C.; Grancini, G.; Napoletano, M.; Santangelo, F.
Three Stereoisomers of a Novel and Selective μ-Opioid Analgesic
Acta Crystallographica Section C
51(8)
(1995)
1675-1680 | 301,791 | 2025-08-18 | 23:15:25 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/38/2003816.cif $
#-------------------------------------------------------------------... | |||||||||
2,003,817 | 13.627 | 0.002 | 7.298 | 0.002 | 11.527 | 0.002 | 90 | null | 108.16 | 0.01 | 90 | null | 1,089.3 | 0.4 | 293 | 2 | 293 | 2 | null | null | null | null | chemical synthesis | 5 | P 1 21 1 | P 2yb | 4 | (1S)-2-[(1R,1'S)-bis(1-Methylpropyl)amino]-1-[(5S)-1-(2-chlorophenyl) methyl-2-oxo-5-pyrrolidinyl]ethanol | - C21 H33 Cl N2 O2 - | - C21 H33 Cl N2 O2 - | - C42 H66 Cl2 N4 O4 - | 2 | 1 | MU1165 | Ianelli, S.; Nardelli, M.; Fraire, C.; Grancini, G.; Napoletano, M.; Santangelo, F. | Three Stereoisomers of a Novel and Selective μ-Opioid Analgesic | Acta Crystallographica Section C | 1,995 | 51 | 8 | 1675 | 1680 | 10.1107/S0108270195001478 | 1.54178 | CuKα | 0.072 | 0.0369 | null | 0.0924 | 0.0831 | null | null | null | 0.795 | 0.997 | 0.997 | null | null | null | has coordinates | Ianelli, S.; Nardelli, M.; Fraire, C.; Grancini, G.; Napoletano, M.; Santangelo, F.
Three Stereoisomers of a Novel and Selective μ-Opioid Analgesic
Acta Crystallographica Section C
51(8)
(1995)
1675-1680 | 301,791 | 2025-08-18 | 23:15:25 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/38/2003817.cif $
#-------------------------------------------------------------------... | |||||||||
2,003,818 | 10.567 | 0.003 | 11.156 | 0.003 | 9.54 | 0.002 | 90 | null | 95.42 | 0.04 | 90 | null | 1,119.6 | 0.5 | 293 | null | null | null | null | null | null | null | see text | 5 | P 1 21/c 1 | -P 2ybc | 14 | - C6 H11 N3 O5 S2 - | - C6 H11 N3 O5 S2 - | - C24 H44 N12 O20 S8 - | 4 | 1 | MU1166 | Kubiak, M.; Glowiak, T.; Raper, E. S. | (2-Oxo-1,3-thiazolidin-3-yl)carbonylthioethylammonium Nitrate, C~6~H~11~N~2~O~2~S~2~^+^.NO~3~^{-^} | Acta Crystallographica Section C | 1,995 | 51 | 8 | 1691 | 1693 | 10.1107/S010827019500148X | 0.71069 | MoKα | null | 0.038 | null | null | 0.041 | null | null | null | null | 3.81 | 3.81 | null | null | null | has coordinates | Kubiak, M.; Glowiak, T.; Raper, E. S.
(2-Oxo-1,3-thiazolidin-3-yl)carbonylthioethylammonium Nitrate, C~6~H~11~N~2~O~2~S~2~^+^.NO~3~^{-^}
Acta Crystallographica Section C
51(8)
(1995)
1691-1693 | 301,791 | 2025-08-18 | 23:15:25 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/38/2003818.cif $
#-------------------------------------------------------------------... | ||||||||||
2,003,819 | 8.235 | 0.002 | 8.602 | 0.001 | 19.604 | 0.001 | 90 | null | 90 | null | 90 | null | 1,388.7 | 0.4 | 293 | null | null | null | null | null | null | null | synthesis and recrystallization | 5 | P 21 21 21 | P 2ac 2ab | 19 | - C12 H17 Cl2 Cu N3 - | - C12 H17 Cl2 Cu N3 - | - C48 H68 Cl8 Cu4 N12 - | 4 | 1 | MU1170 | Wong, W.-T.; Leung, W.-H.; Chan, E. Y. Y. | Dichloro[(1<i>R</i>,2<i>R</i>)-<i>N</i>-(2-pyridylmethylene)-1,2-cyclohexanediamine]copper(II) | Acta Crystallographica Section C | 1,995 | 51 | 8 | 1519 | 1520 | 10.1107/S010827019500223X | 0.71073 | MoKα | null | 0.031 | null | null | 0.042 | null | null | null | null | 1.034 | 1.034 | null | null | null | has coordinates | Wong, W.-T.; Leung, W.-H.; Chan, E. Y. Y.
Dichloro[(1<i>R</i>,2<i>R</i>)-<i>N</i>-(2-pyridylmethylene)-1,2-cyclohexanediamine]copper(II)
Acta Crystallographica Section C
51(8)
(1995)
1519-1520 | 190,732 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2017-01-19 18:22:45 +0200 (Thu, 19 Jan 2017) $
#$Revision: 190732 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/38/2003819.cif $
#-------------------------------------------------------------------... | ||||||||||
2,003,820 | 13.029 | 0.002 | 25.722 | 0.009 | 13.791 | 0.006 | 90 | null | 90 | null | 90 | null | 4,622 | 3 | 293 | null | null | null | null | null | null | null | 7 | P b c a | -P 2ac 2ab | 61 | - C17 H24 Cl2 Cr F6 N4 P - | - C17 H24 Cl2 Cr F6 N4 P - | - C136 H192 Cl16 Cr8 F48 N32 P8 - | 8 | 1 | MU1171 | Wong, W.-T.; Leung, W.-H. | <i>cis</i>-Dichloro[<i>N</i>,<i>N</i>'-dimethyl-<i>N</i>,<i>N</i>'-bis(2-pyridylmethyl)-1,3-propanediamine]chromium(III) Hexafluorophosphate | Acta Crystallographica Section C | 1,995 | 51 | 8 | 1494 | 1495 | 10.1107/S0108270195002241 | 0.71073 | MoKα | null | 0.074 | null | null | 0.088 | null | null | null | null | 3.061 | 3.061 | null | null | null | has coordinates | Wong, W.-T.; Leung, W.-H.
<i>cis</i>-Dichloro[<i>N</i>,<i>N</i>'-dimethyl-<i>N</i>,<i>N</i>'-bis(2-pyridylmethyl)-1,3-propanediamine]chromium(III) Hexafluorophosphate
Acta Crystallographica Section C
51(8)
(1995)
1494-1495 | 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/2/00/38/2003820.cif $
#-------------------------------------------------------------------... | |||||||||||
2,003,821 | 25.975 | 0.003 | 8.013 | 0.002 | 14.051 | 0.002 | 90 | null | 110.34 | 0.02 | 90 | null | 2,742.2 | 0.9 | 299 | null | null | null | null | null | null | null | 5 | C 1 2/c 1 | -C 2yc | 15 | - C10 H14 Cl3 Hg N2 - | - C10 H14 Cl3 Hg N2 - | - C80 H112 Cl24 Hg8 N16 - | 8 | 1 | NA1108 | Zouari, F.; Ben Salah, A.; Hovestreydt, E. R. | Phenylpiperazinium Trichloromercurate | Acta Crystallographica Section C | 1,995 | 51 | 8 | 1563 | 1565 | 10.1107/S0108270194013454 | 0.71073 | MoKα | null | 0.0529 | null | null | 0.0615 | null | null | null | null | 1.14 | 1.14 | null | null | null | has coordinates | Zouari, F.; Ben Salah, A.; Hovestreydt, E. R.
Phenylpiperazinium Trichloromercurate
Acta Crystallographica Section C
51(8)
(1995)
1563-1565 | 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/2/00/38/2003821.cif $
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2,003,822 | 19.1 | 0.002 | 9.826 | 0.001 | 13.411 | 0.001 | 90 | null | 129.53 | 0.06 | 90 | null | 1,941.3 | 1.7 | 293 | null | null | null | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | - C8 H11 Cl N6 - | - C8 H11 Cl N6 - | - C64 H88 Cl8 N48 - | 8 | 2 | NA1131 | Carugo, O.; Castellani, C. B.; Perotti, A. | Mono- and Diprotonated 1,4-Dihydrazinophthalazine: C~8~H~11~N~6~^+^.Cl^{-^} and C~8~H~12~N~6~^2+^.2Cl^{-^}.2H~2~O | Acta Crystallographica Section C | 1,995 | 51 | 8 | 1683 | 1687 | 10.1107/S0108270195000187 | 1.54184 | CuKα | null | 0.047 | null | null | 0.031 | null | null | null | null | 0.899 | 0.899 | null | null | null | has coordinates | Carugo, O.; Castellani, C. B.; Perotti, A.
Mono- and Diprotonated 1,4-Dihydrazinophthalazine: C~8~H~11~N~6~^+^.Cl^{-^} and C~8~H~12~N~6~^2+^.2Cl^{-^}.2H~2~O
Acta Crystallographica Section C
51(8)
(1995)
1683-1687 | 301,791 | 2025-08-18 | 23:15:25 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,003,823 | 9.819 | 0.001 | 21.581 | 0.002 | 7.027 | 0.001 | 90 | null | 113.88 | 0.06 | 90 | null | 1,361.6 | 0.7 | 293 | null | null | null | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | - C8 H16 Cl2 N6 O2 - | - C8 H16 Cl2 N6 O2 - | - C32 H64 Cl8 N24 O8 - | 4 | 1 | NA1131 | Carugo, O.; Castellani, C. B.; Perotti, A. | Mono- and Diprotonated 1,4-Dihydrazinophthalazine: C~8~H~11~N~6~^+^.Cl^{-^} and C~8~H~12~N~6~^2+^.2Cl^{-^}.2H~2~O | Acta Crystallographica Section C | 1,995 | 51 | 8 | 1683 | 1687 | 10.1107/S0108270195000187 | 1.54184 | CuKα | null | 0.039 | null | null | 0.03 | null | null | null | null | 0.935 | 0.935 | null | null | null | has coordinates | Carugo, O.; Castellani, C. B.; Perotti, A.
Mono- and Diprotonated 1,4-Dihydrazinophthalazine: C~8~H~11~N~6~^+^.Cl^{-^} and C~8~H~12~N~6~^2+^.2Cl^{-^}.2H~2~O
Acta Crystallographica Section C
51(8)
(1995)
1683-1687 | 190,732 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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4,322,348 | 18.96 | 0.007 | 25.99 | 0.015 | 20.669 | 0.005 | 90 | null | 109.58 | 0.02 | 90 | null | 9,596 | 7 | 295 | null | 295 | null | null | null | null | null | ? | 6 | P 1 21/n 1 | -P 2yn | 14 | - C48 H126 Mo12 N6 Ni2 O48 - | - C48 Mo12 N6 Ni2 O48 - | - C192 Mo48 N24 Ni8 O192 - | 4 | 1 | Richard Villanneau; Anna Proust; Francis Robert; Pierre Veillet; Pierre Gouzerh | Synthesis, Structure, and Magnetic Properties of (n-Bu4N)2[{Ni(MeOH)2}2{Mo(NO)}2(μ3-OH)2(μ-OMe)4{Mo5O13(OMe)4(NO)}2], a New Type of Polyoxometalate Incorporating a Rhomb-like Cluster | Inorganic Chemistry | 1,999 | 38 | 4981 | 4985 | 10.1021/ic990480z | 0.71073 | MoKα | null | 0.0869 | null | null | 0.0942 | null | null | null | null | 3.1584 | 3.1584 | null | null | null | has coordinates | Richard Villanneau; Anna Proust; Francis Robert; Pierre Veillet; Pierre Gouzerh
Synthesis, Structure, and Magnetic Properties of (n-Bu4N)2[{Ni(MeOH)2}2{Mo(NO)}2(μ3-OH)2(μ-OMe)4{Mo5O13(OMe)4(NO)}2], a New Type of Polyoxometalate Incorporating a Rhomb-like Cluster
Inorganic Chemistry
38
(1999)
4981-4985 | 176,467 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,003,824 | 34.342 | 0.009 | 12.642 | 0.002 | 34.23 | 0.009 | 90 | null | 119.43 | 0.02 | 90 | null | 12,943 | 6 | 295 | null | null | null | null | null | null | null | see text | 5 | C 1 2/c 1 | -C 2yc | 15 | - C120 H190 N8 O17 U2 - | - C122 N8 O17 U2 - | - C488 N32 O68 U8 - | 4 | 0.5 | NA1138 | Thuéry, P.; Keller, N.; Lance, M.; Vigner, J.-D.; Nierlich, M. | A Bimetallic Complex Between Uranyl and <i>p</i>-<i>tert</i>-Butylcalix[8]arene | Acta Crystallographica Section C | 1,995 | 51 | 8 | 1570 | 1574 | 10.1107/S0108270195000710 | 0.71073 | MoKα | null | 0.052 | null | null | 0.073 | null | null | null | null | 2.92 | 2.92 | null | null | null | has coordinates | Thuéry, P.; Keller, N.; Lance, M.; Vigner, J.-D.; Nierlich, M.
A Bimetallic Complex Between Uranyl and <i>p</i>-<i>tert</i>-Butylcalix[8]arene
Acta Crystallographica Section C
51(8)
(1995)
1570-1574 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
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2,003,825 | 7.624 | 0.002 | 10.027 | 0.002 | 12.001 | 0.003 | 97.46 | 0.01 | 106.79 | 0.01 | 108.76 | 0.01 | 806.2 | 0.3 | 294 | 2 | 294 | 2 | null | null | null | null | 5 | P 1 | P 1 | 1 | [(Aqua)(L-serinato)(1,10-phenantroline) copper(II)] nitrate. | - C15 H16 Cu N4 O7 - | - C15 H16 Cu N4 O7 - | - C30 H32 Cu2 N8 O14 - | 2 | 2 | NA1141 | Moreno-Esparza, R.; Molins, E.; Briansó-Penalva, J. L.; Ruiz-Ramírez, L.; Redón, R. | Aqua(1,10-phenanthroline)(<small>L</small>-serinato)copper(II) Nitrate | Acta Crystallographica Section C | 1,995 | 51 | 8 | 1505 | 1508 | 10.1107/S0108270195002010 | 0.71073 | MoKα | 0.0516 | 0.0383 | null | 0.107 | 0.1018 | null | null | null | 1.046 | 1.084 | 1.084 | null | null | null | has coordinates | Moreno-Esparza, R.; Molins, E.; Briansó-Penalva, J. L.; Ruiz-Ramírez, L.; Redón, R.
Aqua(1,10-phenanthroline)(<small>L</small>-serinato)copper(II) Nitrate
Acta Crystallographica Section C
51(8)
(1995)
1505-1508 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
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2,003,826 | 7.9463 | 0.0015 | 9.549 | 0.005 | 26.364 | 0.006 | 90 | null | 90 | null | 90 | null | 2,000.5 | 1.2 | 293 | 2 | 293 | 2 | null | null | null | null | slow evaporation of aqueous solution at 293K | 4 | P b c a | -P 2ac 2ab | 61 | Potassium_hydrogen_cis-4-cyclohexene-1,2-dicarboxylate_monohydrate | - C8 H11 K O5 - | - C8 H11 K O5 - | - C64 H88 K8 O40 - | 8 | 1 | NA1143 | Kim, S. A. | Potassium Hydrogen <i>cis</i>-4-Cyclohexene-1,2-dicarboxylate Monohydrate | Acta Crystallographica Section C | 1,995 | 51 | 8 | 1486 | 1488 | 10.1107/S0108270195001673 | 0.71069 | MoKα | 0.0674 | 0.0434 | null | 0.1286 | 0.1121 | null | null | null | 1.026 | 1.081 | 1.081 | null | null | null | has coordinates | Kim, S. A.
Potassium Hydrogen <i>cis</i>-4-Cyclohexene-1,2-dicarboxylate Monohydrate
Acta Crystallographica Section C
51(8)
(1995)
1486-1488 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
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2,003,827 | 6.988 | 0.002 | 14.11 | 0.003 | 30.133 | 0.006 | 90 | null | 90 | null | 90 | null | 2,971.1 | 1.2 | 293 | 2 | 293 | 2 | null | null | null | null | recrystallized from an aqueous solution at room temperature | 5 | P b c a | -P 2ac 2ab | 61 | 3-[(2-benzotrifluoride)-2-hydroxy-3H-naphth-3-ylidene)methyl]aldamine | - C18 H12 F3 N O - | - C18 H12 F3 N O - | - C144 H96 F24 N8 O8 - | 8 | 1 | NA1150 | Fernández-G., J. M.; Rodríguez-Romero, A.; Panneerselvam, K.; Soriano-García, M. | Two 2,3-Naphthalenic Schiff Bases | Acta Crystallographica Section C | 1,995 | 51 | 8 | 1643 | 1646 | 10.1107/S0108270195001417 | 1.54178 | CuKα | 0.0588 | 0.0554 | null | 0.1543 | 0.1497 | null | null | null | 1.181 | 1.212 | 1.212 | null | null | null | has coordinates | Fernández-G., J. M.; Rodríguez-Romero, A.; Panneerselvam, K.; Soriano-García, M.
Two 2,3-Naphthalenic Schiff Bases
Acta Crystallographica Section C
51(8)
(1995)
1643-1646 | 301,791 | 2025-08-18 | 23:15:25 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,003,828 | 6.076 | 0.002 | 14.055 | 0.006 | 15.087 | 0.009 | 90 | null | 90 | null | 90 | null | 1,288.4 | 1 | 293 | 2 | 293 | 2 | null | null | null | null | recrystallized from an aqueous solution at room temperature | 4 | P 21 21 21 | P 2ac 2ab | 19 | 3-[(tertbutyl)-2-Hydroxy-3H-Naphth-3-ylidene)methyl]aldamine | - C15 H17 N O - | - C15 H17 N O - | - C60 H68 N4 O4 - | 4 | 1 | NA1150 | Fernández-G., J. M.; Rodríguez-Romero, A.; Panneerselvam, K.; Soriano-García, M. | Two 2,3-Naphthalenic Schiff Bases | Acta Crystallographica Section C | 1,995 | 51 | 8 | 1643 | 1646 | 10.1107/S0108270195001417 | 1.54178 | CuKα | 0.0585 | 0.0554 | null | 0.1643 | 0.1597 | null | null | null | 1.153 | 1.164 | 1.164 | null | null | null | has coordinates | Fernández-G., J. M.; Rodríguez-Romero, A.; Panneerselvam, K.; Soriano-García, M.
Two 2,3-Naphthalenic Schiff Bases
Acta Crystallographica Section C
51(8)
(1995)
1643-1646 | 301,791 | 2025-08-18 | 23:15:25 | #------------------------------------------------------------------------------
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2,003,829 | 12.139 | 0.003 | 14.635 | 0.003 | 27.951 | 0.007 | 90 | null | 90 | null | 90 | null | 4,966 | 2 | 293 | null | null | null | null | null | null | null | 3 | P 21 21 21 | P 2ac 2ab | 19 | - C27 H40 O4 - | - C27 H40 O4 - | - C216 H320 O32 - | 8 | 2 | Puliti, R.; Mattia, C. A.; Mazzarella, L. | Scalaradial, a Sesterterpenoid Metabolite from the Marine Sponge Cacospongia mollior | Acta Crystallographica Section C | 1,995 | 51 | 8 | 1703 | 1707 | 10.1107/S0108270195002034 | 1.54056 | CuKα | null | 0.04 | null | null | 0.039 | null | null | null | null | 0.89 | 0.89 | null | null | null | has coordinates | Puliti, R.; Mattia, C. A.; Mazzarella, L.
Scalaradial, a Sesterterpenoid Metabolite from the Marine Sponge Cacospongia mollior
Acta Crystallographica Section C
51(8)
(1995)
1703-1707 | 301,791 | 2025-08-18 | 23:15:25 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,003,830 | 8.166 | 0.002 | 8.845 | 0.002 | 5.934 | 0.001 | 102.54 | 0.02 | 94.37 | 0.02 | 113.57 | 0.02 | 377.05 | 0.16 | 297 | null | null | null | null | null | null | null | hydrothermal synthesis | 4 | P -1 | -P 1 | 2 | - Cu9 H2 O20 P4 - | - Cu9 H2 O20 P4 - | - Cu9 H2 O20 P4 - | 1 | 0.5 | OH1045 | Yamashita, A.; Kawahara, A.; Sasaki, N. | Synthetic Copper Monophosphate | Acta Crystallographica Section C | 1,995 | 51 | 8 | 1483 | 1485 | 10.1107/S0108270193008145 | 0.71069 | MoKα | null | 0.042 | null | null | 0.057 | null | null | null | null | 1.77 | 1.77 | null | null | null | has coordinates | Yamashita, A.; Kawahara, A.; Sasaki, N.
Synthetic Copper Monophosphate
Acta Crystallographica Section C
51(8)
(1995)
1483-1485 | 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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2,003,831 | 22.288 | 0.002 | 22.288 | 0.002 | 22.288 | 0.002 | 90 | null | 90 | null | 90 | null | 11,071.7 | 1.7 | 295 | null | null | null | null | null | null | null | synthesis | 5 | F d -3 c | -F 4ud 2vw 3 | null | - Cl5 Cr Cu H18 N6 - | - Cl5 Cr Cu H18 N6 - | - Cl160 Cr32 Cu32 H576 N192 - | 32 | null | OH1078 | Ohba, S.; Fujita, T.; Bernal, I. | Phase Transition of Hexaamminechromium(III) Pentachlorocuprate(II) | Acta Crystallographica Section C | 1,995 | 51 | 8 | 1481 | 1483 | 10.1107/S0108270195001521 | 0.71073 | MoKα | null | 0.03 | null | null | 0.031 | null | null | null | null | 1.82 | 1.82 | null | null | null | has coordinates | Ohba, S.; Fujita, T.; Bernal, I.
Phase Transition of Hexaamminechromium(III) Pentachlorocuprate(II)
Acta Crystallographica Section C
51(8)
(1995)
1481-1483 | 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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4,322,347 | 6.99 | 0.001 | 7.985 | 0.001 | 21.177 | 0.001 | 90 | null | 90 | null | 90 | null | 1,182 | 0.2 | 173 | 2 | 173 | 2 | null | null | null | null | 4 | C m c e | -C 2ac 2 | 64 | trifluoromethyl iodine dichloride | trifluoromethyl iodine dichloride | - C Cl2 F3 I - | - C Cl2 F3 I - | - C8 Cl16 F24 I8 - | 8 | 0.5 | Rolf Minkwitz; Michael Berkei | A New Method for Preparation and Crystal Structure of (Trifluoromethyl)iodine Dichloride | Inorganic Chemistry | 1,999 | 38 | 5041 | 5044 | 10.1021/ic990441n | 0.71069 | MoKα | 0.0554 | 0.0341 | null | 0.1151 | 0.0631 | null | null | null | 1.876 | 1.177 | 1.177 | null | null | null | has coordinates | Rolf Minkwitz; Michael Berkei
A New Method for Preparation and Crystal Structure of (Trifluoromethyl)iodine Dichloride
Inorganic Chemistry
38
(1999)
5041-5044 | 301,838 | 2025-08-20 | 22:17:37 | #------------------------------------------------------------------------------
#$Date: 2025-08-21 01:01:10 +0300 (Thu, 21 Aug 2025) $
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2,003,832 | 22.155 | 0.003 | 22.155 | 0.003 | 22.181 | 0.006 | 90 | null | 90 | null | 90 | null | 10,887 | 4 | 120 | null | null | null | null | null | null | null | synthesis | 5 | F 41/a d c | -I 4bd 2c (1/2*x+1/2*y,-1/2*x+1/2*y,z) | 142 | - Cl5 Cr Cu H18 N6 - | - Cl5 Cr Cu H18 N6 - | - Cl160 Cr32 Cu32 H576 N192 - | 32 | null | OH1078 | Ohba, S.; Fujita, T.; Bernal, I. | Phase Transition of Hexaamminechromium(III) Pentachlorocuprate(II) | Acta Crystallographica Section C | 1,995 | 51 | 8 | 1481 | 1483 | 10.1107/S0108270195001521 | 0.71073 | MoKα | null | 0.1 | null | null | 0.092 | null | null | null | null | 6.73 | 6.73 | null | null | null | has coordinates | Ohba, S.; Fujita, T.; Bernal, I.
Phase Transition of Hexaamminechromium(III) Pentachlorocuprate(II)
Acta Crystallographica Section C
51(8)
(1995)
1481-1483 | 206,090 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2018-02-02 19:31:38 +0200 (Fri, 02 Feb 2018) $
#$Revision: 206090 $
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2,003,833 | 6.999 | 0.001 | 7.787 | 0.002 | 26.933 | 0.003 | 91.68 | 0.02 | 89.54 | 0.01 | 105.37 | 0.02 | 1,414.8 | 0.5 | 293 | null | 293 | null | null | null | null | null | 5 | P -1 | -P 1 | 2 | 2-(4,5-dimethyl-1,3-dithiol-2-ylidene)-5,6-dihydro-1,3-dithiolo[4,5-b]-1,4- dithiin tetrafluoroborate (2:1) | - C20 H20 B F4 S12 - | - C20 H16 B F4 S12 - | - C40 H32 B2 F8 S24 - | 2 | 1 | OH1079 | Saitoh, H.; Saito, K.; Itoh, H.; Mochiduki, T.; Kikuchi, K.; Ikemoto, I. | Organic Metal (DIMET)~2~BF~4~ | Acta Crystallographica Section C | 1,995 | 51 | 8 | 1656 | 1658 | 10.1107/S0108270195001806 | 0.71068 | MoKα | null | 0.04 | null | null | 0.043 | null | null | null | null | 4.38 | 4.38 | null | null | null | has coordinates | Saitoh, H.; Saito, K.; Itoh, H.; Mochiduki, T.; Kikuchi, K.; Ikemoto, I.
Organic Metal (DIMET)~2~BF~4~
Acta Crystallographica Section C
51(8)
(1995)
1656-1658 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
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2,003,834 | 10.021 | 0.003 | 5.991 | 0.002 | 18.094 | 0.006 | 90 | null | 101.1 | 0.03 | 90 | null | 1,066 | 0.6 | 298 | null | null | null | null | null | null | null | synthesis | 4 | P 1 21/c 1 | -P 2ybc | null | - C13 H11 N O2 - | - C13 H11 N O2 - | - C52 H44 N4 O8 - | 4 | 1 | PA1059 | Mansilla-Koblavi, F.; Tenon, J. A.; Toure, S.; Ebby, N.; Lapasset, J.; Carles, M. | Une Serie de <i>N</i>-(2,3-Dihydroxybenzilidene)amines: Manifestation d'Equilibres Tautomères | Acta Crystallographica Section C | 1,995 | 51 | 8 | 1595 | 1602 | 10.1107/S0108270194002945 | 0.71069 | MoKα | null | 0.037 | null | null | 0.037 | null | null | null | null | 0.83 | 0.83 | null | null | null | has coordinates | Mansilla-Koblavi, F.; Tenon, J. A.; Toure, S.; Ebby, N.; Lapasset, J.; Carles, M.
Une Serie de <i>N</i>-(2,3-Dihydroxybenzilidene)amines: Manifestation d'Equilibres Tautomères
Acta Crystallographica Section C
51(8)
(1995)
1595-1602 | 301,791 | 2025-08-18 | 23:15:25 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,003,835 | 11.28 | 0.05 | 7.92 | 0.03 | 13.45 | 0.05 | 90 | null | 105.16 | 0.08 | 90 | null | 1,160 | 8 | 298 | null | null | null | null | null | null | null | synthesis | 4 | P 1 21/c 1 | -P 2ybc | null | - C14 H13 N O2 - | - C14 H13 N O2 - | - C56 H52 N4 O8 - | 4 | 1 | PA1059 | Mansilla-Koblavi, F.; Tenon, J. A.; Toure, S.; Ebby, N.; Lapasset, J.; Carles, M. | Une Serie de <i>N</i>-(2,3-Dihydroxybenzilidene)amines: Manifestation d'Equilibres Tautomères | Acta Crystallographica Section C | 1,995 | 51 | 8 | 1595 | 1602 | 10.1107/S0108270194002945 | 0.71069 | MoKα | null | 0.072 | null | null | 0.072 | null | null | null | null | 0.98 | 0.98 | null | null | null | has coordinates | Mansilla-Koblavi, F.; Tenon, J. A.; Toure, S.; Ebby, N.; Lapasset, J.; Carles, M.
Une Serie de <i>N</i>-(2,3-Dihydroxybenzilidene)amines: Manifestation d'Equilibres Tautomères
Acta Crystallographica Section C
51(8)
(1995)
1595-1602 | 301,791 | 2025-08-18 | 23:15:25 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,003,836 | 7.236 | 0.007 | 7.714 | 0.003 | 21.663 | 0.007 | 90 | null | 112.34 | 0.06 | 90 | null | 1,118.4 | 1.3 | 298 | null | null | null | null | null | null | null | synthesis | 5 | P 1 21/c 1 | -P 2ybc | null | - C13 H10 Cl N O2 - | - C13 H10 Cl N O2 - | - C52 H40 Cl4 N4 O8 - | 4 | 1 | PA1059 | Mansilla-Koblavi, F.; Tenon, J. A.; Toure, S.; Ebby, N.; Lapasset, J.; Carles, M. | Une Serie de <i>N</i>-(2,3-Dihydroxybenzilidene)amines: Manifestation d'Equilibres Tautomères | Acta Crystallographica Section C | 1,995 | 51 | 8 | 1595 | 1602 | 10.1107/S0108270194002945 | 0.71069 | MoKα | null | 0.046 | null | null | 0.046 | null | null | null | null | 1.34 | 1.34 | null | null | null | has coordinates | Mansilla-Koblavi, F.; Tenon, J. A.; Toure, S.; Ebby, N.; Lapasset, J.; Carles, M.
Une Serie de <i>N</i>-(2,3-Dihydroxybenzilidene)amines: Manifestation d'Equilibres Tautomères
Acta Crystallographica Section C
51(8)
(1995)
1595-1602 | 301,791 | 2025-08-18 | 23:15:25 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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2,003,837 | 10.749 | 0.009 | 9.509 | 0.003 | 17.977 | 0.005 | 90 | null | 146.08 | 0.07 | 90 | null | 1,025 | 2 | 298 | null | null | null | null | null | null | null | synthesis | 4 | P 1 21/c 1 | -P 2ybc | null | - C10 H13 N O2 - | - C10 H13 N O2 - | - C40 H52 N4 O8 - | 4 | 1 | PA1059 | Mansilla-Koblavi, F.; Tenon, J. A.; Toure, S.; Ebby, N.; Lapasset, J.; Carles, M. | Une Serie de <i>N</i>-(2,3-Dihydroxybenzilidene)amines: Manifestation d'Equilibres Tautomères | Acta Crystallographica Section C | 1,995 | 51 | 8 | 1595 | 1602 | 10.1107/S0108270194002945 | 0.71069 | MoKα | null | 0.034 | null | null | 0.034 | null | null | null | null | 0.046 | 0.046 | null | null | null | has coordinates | Mansilla-Koblavi, F.; Tenon, J. A.; Toure, S.; Ebby, N.; Lapasset, J.; Carles, M.
Une Serie de <i>N</i>-(2,3-Dihydroxybenzilidene)amines: Manifestation d'Equilibres Tautomères
Acta Crystallographica Section C
51(8)
(1995)
1595-1602 | 301,791 | 2025-08-18 | 23:15:25 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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2,003,838 | 9.8 | 0.02 | 15.88 | 0.05 | 9.38 | 0.02 | 96.08 | 0.08 | 105.8 | 0.08 | 77.3 | 0.1 | 1,369 | 6 | 100 | null | null | null | null | null | null | null | synthesis | 4 | P -1 | -P 1 | 2 | - C10 H11 N O2 - | - C10 H11 N O2 - | - C60 H66 N6 O12 - | 6 | 3 | PA1059 | Mansilla-Koblavi, F.; Tenon, J. A.; Toure, S.; Ebby, N.; Lapasset, J.; Carles, M. | Une Serie de <i>N</i>-(2,3-Dihydroxybenzilidene)amines: Manifestation d'Equilibres Tautomères | Acta Crystallographica Section C | 1,995 | 51 | 8 | 1595 | 1602 | 10.1107/S0108270194002945 | 1.5428 | CuKα | null | 0.066 | null | null | 0.066 | null | null | null | null | 1.22 | 1.22 | null | null | null | has coordinates | Mansilla-Koblavi, F.; Tenon, J. A.; Toure, S.; Ebby, N.; Lapasset, J.; Carles, M.
Une Serie de <i>N</i>-(2,3-Dihydroxybenzilidene)amines: Manifestation d'Equilibres Tautomères
Acta Crystallographica Section C
51(8)
(1995)
1595-1602 | 301,791 | 2025-08-18 | 23:15:25 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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2,003,839 | 9.598 | 0.001 | 11.636 | 0.002 | 12.759 | 0.002 | 110.64 | 0.02 | 107.07 | 0.02 | 96.58 | 0.02 | 1,236.3 | 0.4 | 25 | null | null | null | null | null | null | null | methanol solution | 4 | P -1 | -P 1 | 2 | - C10 H20 N2 O3 - | - C10 H19 N2 O3 - | - C40 H76 N8 O12 - | 4 | 2 | PA1103 | Aubry, A.; Dupont, V.; Marraud, M. | ^<i>t^</i>BuCO-ψ[CO-N(OH)]-Gly-NH^<i>i^</i>Pr | Acta Crystallographica Section C | 1,995 | 51 | 8 | 1577 | 1579 | 10.1107/S0108270194006025 | 1.5406 | CuKα | null | 0.074 | null | null | 0.087 | null | null | null | null | 10.3 | 10.3 | null | null | null | has coordinates | Aubry, A.; Dupont, V.; Marraud, M.
^<i>t^</i>BuCO-ψ[CO-N(OH)]-Gly-NH^<i>i^</i>Pr
Acta Crystallographica Section C
51(8)
(1995)
1577-1579 | 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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2,003,840 | 14.078 | 0.003 | 9.473 | 0.002 | 14.899 | 0.003 | 90 | null | 79.51 | 0.03 | 90 | null | 1,953.7 | 0.7 | 293 | null | 293 | null | null | null | null | null | grown from heptane solution | 4 | P 1 21/a 1 | -P 2yab | 14 | Spiro[azatricycloundecane-naphthoxazine] | 8-methyl-spiro[syn-10,11-benzo-8-azatricyclo[5,2,2,0^1,5^] undecane-9-3'[3H]naphth[1,2b][1,4]oxazine | - C26 H24 N2 O - | - C26 H24 N2 O - | - C104 H96 N8 O4 - | 4 | 1 | PA1155 | Pèpe, G.; Laréginie, P.; Samat, A.; Guglielmetti, R.; Zaballos, E. | 8-Methylspiro(<i>syn</i>-10,11-benzo-8-azatricyclo[5.2.2.0^1,5^]undec-10-ene)-9,3'-[3<i>H</i>]naphth[1,2-<i>b</i>][1,4]oxazine | Acta Crystallographica Section C | 1,995 | 51 | 8 | 1617 | 1619 | 10.1107/S0108270195000205 | 1.5418 | CuKα | 0.0442 | 0.0442 | null | 0.0442 | 0.0442 | null | null | null | null | 0.71 | 0.71 | null | null | null | has coordinates | Pèpe, G.; Laréginie, P.; Samat, A.; Guglielmetti, R.; Zaballos, E.
8-Methylspiro(<i>syn</i>-10,11-benzo-8-azatricyclo[5.2.2.0^1,5^]undec-10-ene)-9,3'-[3<i>H</i>]naphth[1,2-<i>b</i>][1,4]oxazine
Acta Crystallographica Section C
51(8)
(1995)
1617-1619 | 301,791 | 2025-08-18 | 23:15:25 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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2,003,841 | 7.957 | 0.005 | 11.92 | 0.003 | 21.533 | 0.003 | 90 | null | 99.72 | 0.01 | 90 | null | 2,013 | 1.4 | 293 | null | 293 | null | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | 8-ethoxy-2-methylspiro(syn-5,6-benzo-2-azabicyclo[2,2,2] octane-3,3'-[3H]naphth[2,1,b][1,4]oxazine) | - C25 H24 N2 O2 - | - C25 H24 N2 O2 - | - C100 H96 N8 O8 - | 4 | 1 | PA1159 | Reboul, J.-P.; Samat, A.; Laréginie, P.; Lokshin, V.; Guglielmetti, R.; Pèpe, G. | Photochromic 8-Ethoxy-2-methylspiro(<i>syn</i>-5,6-benzo-2-azabicyclo[2.2.2]oct-5-ene-3,3'-[3<i>H</i>]naphth[2,1-<i>b</i>][1,4]oxazine) | Acta Crystallographica Section C | 1,995 | 51 | 8 | 1614 | 1617 | 10.1107/S0108270195000229 | 1.5418 | CuKα | 0.052 | 0.052 | null | 0.052 | 0.052 | null | null | null | 0.19 | 0.19 | 0.19 | null | null | null | has coordinates | Reboul, J.-P.; Samat, A.; Laréginie, P.; Lokshin, V.; Guglielmetti, R.; Pèpe, G.
Photochromic 8-Ethoxy-2-methylspiro(<i>syn</i>-5,6-benzo-2-azabicyclo[2.2.2]oct-5-ene-3,3'-[3<i>H</i>]naphth[2,1-<i>b</i>][1,4]oxazine)
Acta Crystallographica Section C
51(8)
(1995)
1614-1617 | 301,791 | 2025-08-18 | 23:15:25 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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