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|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
2,002,941 | 4.6 | 0.003 | 10.041 | 0.001 | 24.835 | 0.0003 | 90 | null | 90 | null | 90 | null | 1,147.1 | 0.8 | 123 | null | null | null | null | null | null | null | 4 | P 21 21 21 | P 2ac 2ab | 19 | - C11 H17 N3 O4 - | - C11 H17 N3 O4 - | - C44 H68 N12 O16 - | 4 | 1 | Napper, Scott; Stuart, Allan L.; Kumar, Sashi V. P.; Gupta, V. Sagar; Delbaere, Louis T. J. | 5-Ethyl-2'-deoxycytidine, C~11~H~17~N~3~O~4~ | Acta Crystallographica, Section C: Crystal Structure Communications | 1,995 | 51 | 1 | 96 | 98 | 10.1107/s0108270194005330 | 0.7093 | MolybdenumKα | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Napper, Scott; Stuart, Allan L.; Kumar, Sashi V. P.; Gupta, V. Sagar; Delbaere, Louis T. J.
5-Ethyl-2'-deoxycytidine, C~11~H~17~N~3~O~4~
Acta Crystallographica, Section C: Crystal Structure Communications
51(1)
(1995)
96-98 | 200,786 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,002,942 | 7.85758 | 0.00003 | 7.86793 | 0.00003 | 7.8765 | 0.0003 | 90 | null | 90 | null | 90 | null | 486.948 | 0.019 | 813 | null | null | null | null | null | null | null | 3 | C m c m | -C 2c 2 | 63 | - Na Nb O3 - | - Na Nb O3 - | - Na8 Nb8 O24 - | 8 | 0.5 | BM0015 | Darlington, C. N. W.; Knight, K. S. | High-temperature phases of NaNbO~3~ and NaTaO~3~ | Acta Crystallographica Section B | 1,999 | 55 | 1 | 24 | 30 | 10.1107/S010876819800963X | neutron | null | neutron | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Darlington, C. N. W.; Knight, K. S.
High-temperature phases of NaNbO~3~ and NaTaO~3~
Acta Crystallographica Section B
55(1)
(1999)
24-30 | 198,388 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,002,943 | 7.83729 | 0.00004 | 7.84887 | 0.00004 | 7.85728 | 0.00004 | 90 | null | 90 | null | 90 | null | 483.332 | 0.004 | 803 | null | null | null | null | null | null | null | 3 | C m c m | -C 2c 2 | 63 | - Na O3 Ta - | - Na O3 Ta - | - Na8 O24 Ta8 - | 8 | 0.5 | BM0015 | Darlington, C. N. W.; Knight, K. S. | High-temperature phases of NaNbO~3~ and NaTaO~3~ | Acta Crystallographica Section B | 1,999 | 55 | 1 | 24 | 30 | 10.1107/S010876819800963X | neutron | null | neutron | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Darlington, C. N. W.; Knight, K. S.
High-temperature phases of NaNbO~3~ and NaTaO~3~
Acta Crystallographica Section B
55(1)
(1999)
24-30 | 198,486 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,002,944 | 5.56896 | 0.00002 | 5.56896 | 0.00002 | 3.94408 | 0.00002 | 90 | null | 90 | null | 90 | null | 122.319 | 0.0009 | 888 | null | null | null | null | null | null | null | 3 | P 4/m b m | -P 4 2ab | null | - Na Nb O3 - | - Na Nb O3 - | - Na2 Nb2 O6 - | 2 | 0.125 | BM0015 | Darlington, C. N. W.; Knight, K. S. | High-temperature phases of NaNbO~3~ and NaTaO~3~ | Acta Crystallographica Section B | 1,999 | 55 | 1 | 24 | 30 | 10.1107/S010876819800963X | neutron | null | neutron | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Darlington, C. N. W.; Knight, K. S.
High-temperature phases of NaNbO~3~ and NaTaO~3~
Acta Crystallographica Section B
55(1)
(1999)
24-30 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,002,945 | 5.55465 | 0.00002 | 5.55465 | 0.00002 | 3.93426 | 0.00002 | 90 | null | 90 | null | 90 | null | 121.388 | 0.0009 | 878 | null | null | null | null | null | null | null | 3 | P 4/m b m | -P 4 2ab | null | - Na O3 Ta - | - Na O3 Ta - | - Na2 O6 Ta2 - | 2 | 0.125 | BM0015 | Darlington, C. N. W.; Knight, K. S. | High-temperature phases of NaNbO~3~ and NaTaO~3~ | Acta Crystallographica Section B | 1,999 | 55 | 1 | 24 | 30 | 10.1107/S010876819800963X | neutron | null | neutron | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Darlington, C. N. W.; Knight, K. S.
High-temperature phases of NaNbO~3~ and NaTaO~3~
Acta Crystallographica Section B
55(1)
(1999)
24-30 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
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2,002,946 | 14.417 | 0.001 | 12.02 | 0.001 | 12.042 | 0.001 | 119.99 | 0.007 | 105.991 | 0.007 | 87.224 | 0.01 | 1,727.4 | 0.3 | 200 | null | 200 | null | null | null | null | null | 3 | P -1 | -P 1 | 2 | 4,5-dimethylpyrazole | - C5 H8 N2 - | - C5 H8 N2 - | - C60 H96 N24 - | 12 | 6 | BM0017 | Infantes, L.; Foces-Foces, C.; Elguero,J. | 3(5),4-Dimethyl- and 3,4,5-trimethylpyrazole at 200K. X-ray crystallography and quantum-chemical analysis | Acta Crystallographica Section B | 1,999 | 55 | 3 | 441 | 447 | 10.1107/S0108768198014013 | 1.5418 | CuKα | 0.087 | 0.075 | null | 0.105 | 0.092 | null | null | null | 0.856 | 0.848 | 0.848 | null | null | null | has coordinates | Infantes, L.; Foces-Foces, C.; Elguero,J.
3(5),4-Dimethyl- and 3,4,5-trimethylpyrazole at 200K. X-ray crystallography and quantum-chemical analysis
Acta Crystallographica Section B
55(3)
(1999)
441-447 | 301,791 | 2025-08-18 | 23:15:22 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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4,322,445 | 35.6184 | 0.0002 | 35.6184 | 0.0002 | 13.5217 | 0.0001 | 90 | null | 90 | null | 120 | null | 14,856.3 | 0.16 | 158 | 2 | 158 | 2 | null | null | null | null | 5 | R -3 :H | -R 3 | 148 | - C55 H74 O8 S2 V2 - | - C55 H74 O8 S2 V2 - | - C495 H666 O72 S18 V18 - | 9 | 0.5 | Charles R. Cornman; Katherine M. Geiser-Bush; Jeff W. Kampf | Vanadium(V) Complexes of 2,2'-Thiobis(4-methyl-6-tert-butylphenol) (H2mbp2S) and 2,2'-Sulfinylbis(4-methyl-6-tert-butylphenol) (H2mbp2SO) | Inorganic Chemistry | 1,999 | 38 | 4303 | 4308 | 10.1021/ic9900253 | 0.71073 | MoKα | 0.1332 | 0.0996 | null | 0.2638 | 0.2359 | null | null | null | 1.15 | 1.244 | 1.244 | null | null | null | has coordinates | Charles R. Cornman; Katherine M. Geiser-Bush; Jeff W. Kampf
Vanadium(V) Complexes of 2,2'-Thiobis(4-methyl-6-tert-butylphenol) (H2mbp2S) and 2,2'-Sulfinylbis(4-methyl-6-tert-butylphenol) (H2mbp2SO)
Inorganic Chemistry
38
(1999)
4303-4308 | 179,327 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,002,947 | 14.1911 | 0.0009 | 8.252 | 0.0006 | 16.7382 | 0.0019 | 90 | null | 90.696 | 0.009 | 90 | null | 1,960 | 0.3 | 200 | null | 200 | null | null | null | null | null | 3 | I 1 2/a 1 | -I 2ya | 15 | 3,4,5-trimethylpyrazole | - C6 H10 N2 - | - C6 H12 N2 - | - C72 H144 N24 - | 12 | 1.5 | BM0017 | Infantes, L.; Foces-Foces, C.; Elguero,J. | 3(5),4-Dimethyl- and 3,4,5-trimethylpyrazole at 200K. X-ray crystallography and quantum-chemical analysis | Acta Crystallographica Section B | 1,999 | 55 | 3 | 441 | 447 | 10.1107/S0108768198014013 | 1.5418 | CuKα | 0.059 | 0.048 | null | 0.063 | 0.054 | null | null | null | 0.913 | 0.887 | 0.887 | null | null | null | has coordinates,has Fobs | Infantes, L.; Foces-Foces, C.; Elguero,J.
3(5),4-Dimethyl- and 3,4,5-trimethylpyrazole at 200K. X-ray crystallography and quantum-chemical analysis
Acta Crystallographica Section B
55(3)
(1999)
441-447 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,002,948 | 9.179989 | null | 9.179989 | null | 9.179989 | null | 90 | null | 90 | null | 90 | null | 773.6 | null | null | null | null | null | null | null | null | null | 3 | P 21 3 | P 2ac 2ab 3 | null | - O8 W2 Zr - | - O8 W2 Zr - | - O32 W8 Zr4 - | 4 | 0.333333 | Evans, J. S. O.; David, W. I. F.; Sleight, A. W. | Structural investigation of the negative-thermal-expansion material ZrW~2~O~8~ | Acta Crystallographica, Section B | 1,999 | 55 | 3 | 333 | 340 | 10.1107/S0108768198016966 | neutron | null | neutron | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Evans, J. S. O.; David, W. I. F.; Sleight, A. W.
Structural investigation of the negative-thermal-expansion material ZrW~2~O~8~
Acta Crystallographica, Section B
55(3)
(1999)
333-340 | 188,604 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-11-21 02:23:45 +0200 (Mon, 21 Nov 2016) $
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2,002,949 | 10.464 | 0.004 | 10.464 | null | 15.056 | 0.004 | 90 | null | 90 | null | 120 | null | 1,427.7 | 0.7 | 294.2 | 0.2 | 294 | 2 | null | null | null | null | 6 | P 65 2 2 | P 65 2 (0 0 1) | 179 | - Co0.2 H2 Na O5 P Zn0.8 - | - Na O5 P Zn - | - Na12 O60 P12 Zn12 - | 12 | 1 | BM0019 | Madeleine Helliwell | Determination of the site of incorporation of cobalt in CoZnPO-CZP by multiple-wavelength anomalous-dispersion crystallography | Acta Crystallographica Section B | 1,999 | 55 | 3 | 327 | 332 | 10.1107/S0108768198014414 | 1.5418 | CuKα | 0.0607 | 0.0513 | null | null | null | 0.1252 | null | null | null | null | null | 1.081 | null | null | has coordinates | Madeleine Helliwell
Determination of the site of incorporation of cobalt in CoZnPO-CZP by multiple-wavelength anomalous-dispersion crystallography
Acta Crystallographica Section B
55(3)
(1999)
327-332 | 198,601 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,002,950 | 32.456 | 0.005 | 5.674 | 0.002 | 3.995 | 0.002 | 90 | null | 90 | null | 90 | null | 735.7 | 0.5 | 295 | 2 | 295 | 2 | null | null | null | null | 3 | P n n m | -P 2 2n | 58 | strontium niobium oxide | - Nb5 O17 Sr5 - | - Nb5 O17 Sr5 - | - Nb10 O34 Sr10 - | 2 | 0.25 | Abrahams, Sidney C.; Schmalle, Helmut W.; Williams, Tim; Reller, Armin; Lichtenberg, Frank; Widmer, Daniel; Bednorz, J. Georg; Spreiter, Rolf; Bosshard, Christian; Günter, Peter | Centrosymmetric or Noncentrosymmetric? Case Study and Structural Redetermination of Sr~5~Nb~5~O~17~ | Acta Crystallographica, Section B | 1,998 | 54 | 399 | 416 | 0.71073 | MoKα | 0.0987 | 0.0221 | null | 0.0779 | 0.0551 | null | null | null | 0.716 | 0.809 | 0.809 | null | null | null | has coordinates | Abrahams, Sidney C.; Schmalle, Helmut W.; Williams, Tim; Reller, Armin; Lichtenberg, Frank; Widmer, Daniel; Bednorz, J. Georg; Spreiter, Rolf; Bosshard, Christian; Günter, Peter
Centrosymmetric or Noncentrosymmetric? Case Study and Structural Redetermination of Sr~5~Nb~5~O~17~
Acta Crystallographica, Section B
54
(1998... | 277,834 | 2022-09-14 | 16:39:43 | #------------------------------------------------------------------------------
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2,002,951 | 32.456 | 0.005 | 5.674 | 0.002 | 3.995 | 0.002 | 90 | null | 90 | null | 90 | null | 735.7 | 0.5 | 295 | 2 | 295 | 2 | null | null | null | null | 3 | P n n m | -P 2 2n | 58 | strontium niobium oxide | - Nb5 O17 Sr5 - | - Nb5 O17 Sr5 - | - Nb10 O34 Sr10 - | 2 | 0.25 | Abrahams, Sidney C.; Schmalle, Helmut W.; Williams, Tim; Reller, Armin; Lichtenberg, Frank; Widmer, Daniel; Bednorz, J. Georg; Spreiter, Rolf; Bosshard, Christian; Günter, Peter | Centrosymmetric or Noncentrosymmetric? Case Study and Structural Redetermination of Sr~5~Nb~5~O~17~ | Acta Crystallographica, Section B | 1,998 | 54 | 399 | 416 | 0.71073 | MoKα | 0.0611 | 0.0221 | null | 0.0655 | 0.0575 | null | null | null | 0.764 | 0.925 | 0.925 | null | null | null | has coordinates | Abrahams, Sidney C.; Schmalle, Helmut W.; Williams, Tim; Reller, Armin; Lichtenberg, Frank; Widmer, Daniel; Bednorz, J. Georg; Spreiter, Rolf; Bosshard, Christian; Günter, Peter
Centrosymmetric or Noncentrosymmetric? Case Study and Structural Redetermination of Sr~5~Nb~5~O~17~
Acta Crystallographica, Section B
54
(1998... | 277,834 | 2022-09-14 | 16:39:43 | #------------------------------------------------------------------------------
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2,002,952 | 12.377 | 0.0007 | 9.7522 | 0.0006 | 13.8543 | 0.0011 | 90 | null | 97.326 | 0.006 | 90 | null | 1,658.6 | 0.19 | 295 | 2 | 293 | 2 | null | null | null | null | 6 | P 1 21/n 1 | -P 2yn | 14 | Aminoguanidinium hexafluorozirconate hydrate | - C H10 F6 N4 O Zr - | - C H8 F6 N4 O Zr - | - C8 H64 F48 N32 O8 Zr8 - | 8 | 2 | BR0070 | Ross II, C. R.; Paulsen, B. L.; Nielson, R. M.; Abrahams, S. C. | Aminoguanidinium(2+) Hexafluorozirconate Monohydrate: A Co-Product of Preparing the Ferroelectric Anhydrous Salt | Acta Crystallographica Section B | 1,998 | 54 | 4 | 417 | 423 | 10.1107/S0108768197020090 | 0.71073 | MoKα | 0.0337 | 0.0299 | null | 0.087 | 0.0842 | null | null | null | 1.119 | 1.143 | 1.143 | null | null | null | has coordinates | Ross II, C. R.; Paulsen, B. L.; Nielson, R. M.; Abrahams, S. C.
Aminoguanidinium(2+) Hexafluorozirconate Monohydrate: A Co-Product of Preparing the Ferroelectric Anhydrous Salt
Acta Crystallographica Section B
54(4)
(1998)
417-423 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,002,953 | 9.0971 | 0.0006 | 9.0971 | 0.0006 | 9.0971 | 0.0006 | 90 | null | 90 | null | 90 | null | 752.85 | 0.09 | 295 | null | 295 | null | null | null | null | null | 4 | I m -3 | -I 2 2 3 | 204 | - Co1.26 Fe2.74 La0.743 Sb12 - | - Co1.26 Fe2.74 La0.743 Sb12 - | - Co2.52 Fe5.48 La1.486 Sb24 - | 2 | 0.041667 | BR0074 | Chakoumakos, Bryan C.; Sales, Brian C.; Mandrus, David; Keppens, Veerle | Disparate atomic displacements in skutterudite-type LaFe~3~CoSb~12~, a model for thermoelectric behavior | Acta Crystallographica Section B | 1,999 | 55 | 3 | 341 | 347 | 10.1107/S0108768198018345 | neutron | 0.8387 | neutron | null | 0.045 | null | null | 0.035 | null | null | null | 1.31 | 1.735 | 1.735 | null | null | null | has coordinates | Chakoumakos, Bryan C.; Sales, Brian C.; Mandrus, David; Keppens, Veerle
Disparate atomic displacements in skutterudite-type LaFe~3~CoSb~12~, a model for thermoelectric behavior
Acta Crystallographica Section B
55(3)
(1999)
341-347 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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4,322,444 | 15.262 | 0.003 | 15.262 | 0.003 | 15.255 | 0.005 | 90 | null | 90 | null | 90 | null | 3,553.3 | 1.5 | 291 | null | 291 | null | null | null | null | null | 6 | I -4 | I -4 | 82 | - C64 H68 Fe4 O8 P2 S8 - | - C64 H68 Fe4 O8 P2 S8 - | - C128 H136 Fe8 O16 P4 S16 - | 2 | 0.25 | Jack Silver; George R. Fern; John R. Miller; Catherine A. McCammon; David J. Evans; G. Jeffery Leigh | Effects of Temperature and Pressure on the Mössbauer Spectra of Models for the [4Fe-4S]^2+^ Clusters of Iron-Sulfur Proteins and the Structure of [PPh~4~]~2~[Fe~4~S~4~(SCH~2~CO~2~C~2~H~5~)~4~] | Inorganic Chemistry | 1,999 | 38 | 4256 | 4261 | 10.1021/ic980157g | 0.71073 | Mo-Kα | 0.05 | 0.05 | null | null | 0.057 | null | null | null | null | 1.422 | 1.422 | null | null | null | has coordinates | Jack Silver; George R. Fern; John R. Miller; Catherine A. McCammon; David J. Evans; G. Jeffery Leigh
Effects of Temperature and Pressure on the Mössbauer Spectra of Models for the [4Fe-4S]^2+^ Clusters of Iron-Sulfur Proteins and the Structure of [PPh~4~]~2~[Fe~4~S~4~(SCH~2~CO~2~C~2~H~5~)~4~]
Inorganic Chemistry
38
(19... | 179,327 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,002,954 | 9.0854 | 0.0011 | 9.0854 | 0.0011 | 9.0854 | 0.0011 | 90 | null | 90 | null | 90 | null | 749.95 | 0.16 | 200 | null | 200 | null | null | null | null | null | 4 | I m -3 | -I 2 2 3 | 204 | - Co1.26 Fe2.74 La0.743 Sb12 - | - Co1.256 Fe2.744 La0.743 Sb12 - | - Co2.512 Fe5.488 La1.486 Sb24 - | 2 | 0.041667 | BR0074 | Chakoumakos, Bryan C.; Sales, Brian C.; Mandrus, David; Keppens, Veerle | Disparate atomic displacements in skutterudite-type LaFe~3~CoSb~12~, a model for thermoelectric behavior | Acta Crystallographica Section B | 1,999 | 55 | 3 | 341 | 347 | 10.1107/S0108768198018345 | neutron | 0.8387 | neutron | null | 0.048 | null | null | 0.036 | null | null | null | 1.34 | 1.805 | 1.805 | null | null | null | has coordinates | Chakoumakos, Bryan C.; Sales, Brian C.; Mandrus, David; Keppens, Veerle
Disparate atomic displacements in skutterudite-type LaFe~3~CoSb~12~, a model for thermoelectric behavior
Acta Crystallographica Section B
55(3)
(1999)
341-347 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,002,955 | 9.0857 | 0.0011 | 9.0857 | 0.0011 | 9.0857 | 0.0011 | 90 | null | 90 | null | 90 | null | 750.02 | 0.16 | 150 | null | 150 | null | null | null | null | null | 4 | I m -3 | -I 2 2 3 | 204 | - Co1.26 Fe2.74 La0.743 Sb12 - | - Co1.256 Fe2.744 La0.743 Sb12 - | - Co2.512 Fe5.488 La1.486 Sb24 - | 2 | 0.041667 | BR0074 | Chakoumakos, Bryan C.; Sales, Brian C.; Mandrus, David; Keppens, Veerle | Disparate atomic displacements in skutterudite-type LaFe~3~CoSb~12~, a model for thermoelectric behavior | Acta Crystallographica Section B | 1,999 | 55 | 3 | 341 | 347 | 10.1107/S0108768198018345 | neutron | 0.8387 | neutron | null | 0.045 | null | null | 0.036 | null | null | null | 1.35 | 1.814 | 1.814 | null | null | null | has coordinates | Chakoumakos, Bryan C.; Sales, Brian C.; Mandrus, David; Keppens, Veerle
Disparate atomic displacements in skutterudite-type LaFe~3~CoSb~12~, a model for thermoelectric behavior
Acta Crystallographica Section B
55(3)
(1999)
341-347 | 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/2/00/29/2002955.cif $
#-------------------------------------------------------------------... | ||||||||||
2,002,956 | 9.0813 | 0.0005 | 9.0813 | 0.0005 | 9.0813 | 0.0005 | 90 | null | 90 | null | 90 | null | 748.93 | 0.07 | 125 | null | 125 | null | null | null | null | null | 4 | I m -3 | -I 2 2 3 | 204 | - Co1.26 Fe2.74 La0.743 Sb12 - | - Co1.256 Fe2.744 La0.743 Sb12 - | - Co2.512 Fe5.488 La1.486 Sb24 - | 2 | 0.041667 | BR0074 | Chakoumakos, Bryan C.; Sales, Brian C.; Mandrus, David; Keppens, Veerle | Disparate atomic displacements in skutterudite-type LaFe~3~CoSb~12~, a model for thermoelectric behavior | Acta Crystallographica Section B | 1,999 | 55 | 3 | 341 | 347 | 10.1107/S0108768198018345 | neutron | 0.8387 | neutron | null | 0.062 | null | null | 0.043 | null | null | null | 1.26 | 1.578 | 1.578 | null | null | null | has coordinates | Chakoumakos, Bryan C.; Sales, Brian C.; Mandrus, David; Keppens, Veerle
Disparate atomic displacements in skutterudite-type LaFe~3~CoSb~12~, a model for thermoelectric behavior
Acta Crystallographica Section B
55(3)
(1999)
341-347 | 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/2/00/29/2002956.cif $
#-------------------------------------------------------------------... | ||||||||||
4,322,443 | 16.0682 | 0.0004 | 16.0682 | 0.0004 | 18.719 | 0.0006 | 90 | null | 90 | null | 90 | null | 4,833 | 0.2 | 193 | 2 | 193 | 2 | null | null | null | null | 6 | P -4 2 c | P -4 2c | 112 | - C64 H88 Cl3 Gd N16 O24 - | - C64 H84 Cl3 Gd N16 O24 - | - C128 H168 Cl6 Gd2 N32 O48 - | 2 | 0.25 | Christophe Lescop; Dominique Luneau; Elie Belorizky; Pascal Fries; Maurice Guillot; Paul Rey | Unprecedented Antiferromagnetic Metal-Ligand Interactions in Gadolinium-Nitroxide Derivatives | Inorganic Chemistry | 1,999 | 38 | 5472 | 5473 | 10.1021/ic990996i | 0.71073 | MoKα | 0.1082 | 0.0732 | null | 0.2218 | 0.2051 | null | null | null | 1.427 | 1.582 | 1.582 | null | null | null | has coordinates | Christophe Lescop; Dominique Luneau; Elie Belorizky; Pascal Fries; Maurice Guillot; Paul Rey
Unprecedented Antiferromagnetic Metal-Ligand Interactions in Gadolinium-Nitroxide Derivatives
Inorganic Chemistry
38
(1999)
5472-5473 | 179,327 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-03-23 15:25:49 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179327 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/24/4322443.cif $
#-------------------------------------------------------------------... | |||||||||||||
2,002,957 | 9.0809 | 0.0004 | 9.0809 | 0.0004 | 9.0809 | 0.0004 | 90 | null | 90 | null | 90 | null | 748.84 | 0.06 | 100 | null | 100 | null | null | null | null | null | 4 | I m -3 | -I 2 2 3 | 204 | - Co1.26 Fe2.74 La0.743 Sb12 - | - Co1.256 Fe2.744 La0.743 Sb12 - | - Co2.512 Fe5.488 La1.486 Sb24 - | 2 | 0.041667 | BR0074 | Chakoumakos, Bryan C.; Sales, Brian C.; Mandrus, David; Keppens, Veerle | Disparate atomic displacements in skutterudite-type LaFe~3~CoSb~12~, a model for thermoelectric behavior | Acta Crystallographica Section B | 1,999 | 55 | 3 | 341 | 347 | 10.1107/S0108768198018345 | neutron | 0.8387 | neutron | null | 0.041 | null | null | 0.031 | null | null | null | 1.23 | 1.518 | 1.518 | null | null | null | has coordinates | Chakoumakos, Bryan C.; Sales, Brian C.; Mandrus, David; Keppens, Veerle
Disparate atomic displacements in skutterudite-type LaFe~3~CoSb~12~, a model for thermoelectric behavior
Acta Crystallographica Section B
55(3)
(1999)
341-347 | 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/2/00/29/2002957.cif $
#-------------------------------------------------------------------... | ||||||||||
2,002,958 | 9.0814 | 0.0005 | 9.0814 | 0.0005 | 9.0814 | 0.0005 | 90 | null | 90 | null | 90 | null | 748.96 | 0.07 | 75 | null | 75 | null | null | null | null | null | 4 | I m -3 | -I 2 2 3 | 204 | - Co1.26 Fe2.74 La0.743 Sb12 - | - Co1.256 Fe2.744 La0.743 Sb12 - | - Co2.512 Fe5.488 La1.486 Sb24 - | 2 | 0.041667 | BR0074 | Chakoumakos, Bryan C.; Sales, Brian C.; Mandrus, David; Keppens, Veerle | Disparate atomic displacements in skutterudite-type LaFe~3~CoSb~12~, a model for thermoelectric behavior | Acta Crystallographica Section B | 1,999 | 55 | 3 | 341 | 347 | 10.1107/S0108768198018345 | neutron | 0.8387 | neutron | null | 0.042 | null | null | 0.034 | null | null | null | 1.36 | 1.846 | 1.846 | null | null | null | has coordinates | Chakoumakos, Bryan C.; Sales, Brian C.; Mandrus, David; Keppens, Veerle
Disparate atomic displacements in skutterudite-type LaFe~3~CoSb~12~, a model for thermoelectric behavior
Acta Crystallographica Section B
55(3)
(1999)
341-347 | 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/2/00/29/2002958.cif $
#-------------------------------------------------------------------... | ||||||||||
2,002,959 | 9.0839 | 0.0006 | 9.0839 | 0.0006 | 9.0839 | 0.0006 | 90 | null | 90 | null | 90 | null | 749.58 | 0.09 | 50 | null | 50 | null | null | null | null | null | 4 | I m -3 | -I 2 2 3 | 204 | - Co1.26 Fe2.74 La0.743 Sb12 - | - Co1.256 Fe2.744 La0.743 Sb12 - | - Co2.512 Fe5.488 La1.486 Sb24 - | 2 | 0.041667 | BR0074 | Chakoumakos, Bryan C.; Sales, Brian C.; Mandrus, David; Keppens, Veerle | Disparate atomic displacements in skutterudite-type LaFe~3~CoSb~12~, a model for thermoelectric behavior | Acta Crystallographica Section B | 1,999 | 55 | 3 | 341 | 347 | 10.1107/S0108768198018345 | neutron | 0.8387 | neutron | null | 0.039 | null | null | 0.031 | null | null | null | 1.24 | 1.549 | 1.549 | null | null | null | has coordinates | Chakoumakos, Bryan C.; Sales, Brian C.; Mandrus, David; Keppens, Veerle
Disparate atomic displacements in skutterudite-type LaFe~3~CoSb~12~, a model for thermoelectric behavior
Acta Crystallographica Section B
55(3)
(1999)
341-347 | 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/2/00/29/2002959.cif $
#-------------------------------------------------------------------... | ||||||||||
2,002,960 | 9.0771 | 0.0004 | 9.0771 | 0.0004 | 9.0771 | 0.0004 | 90 | null | 90 | null | 90 | null | 747.9 | 0.06 | 25 | null | 25 | null | null | null | null | null | 4 | I m -3 | -I 2 2 3 | 204 | - Co1.26 Fe2.74 La0.743 Sb12 - | - Co1.256 Fe2.744 La0.743 Sb12 - | - Co2.512 Fe5.488 La1.486 Sb24 - | 2 | 0.041667 | BR0074 | Chakoumakos, Bryan C.; Sales, Brian C.; Mandrus, David; Keppens, Veerle | Disparate atomic displacements in skutterudite-type LaFe~3~CoSb~12~, a model for thermoelectric behavior | Acta Crystallographica Section B | 1,999 | 55 | 3 | 341 | 347 | 10.1107/S0108768198018345 | neutron | 0.8387 | neutron | null | 0.049 | null | null | 0.036 | null | null | null | 1.39 | 1.932 | 1.932 | null | null | null | has coordinates | Chakoumakos, Bryan C.; Sales, Brian C.; Mandrus, David; Keppens, Veerle
Disparate atomic displacements in skutterudite-type LaFe~3~CoSb~12~, a model for thermoelectric behavior
Acta Crystallographica Section B
55(3)
(1999)
341-347 | 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/2/00/29/2002960.cif $
#-------------------------------------------------------------------... | ||||||||||
4,322,442 | 20.524 | 0.005 | 13.794 | 0.004 | 16.399 | 0.004 | 90 | null | 109.72 | 0.02 | 90 | null | 4,370 | 2 | 296.2 | null | 296.2 | null | null | null | null | null | 6 | C 1 2/c 1 | -C 2yc | 15 | - C26 H46 Cl4 N3 Re6 S8 - | - C26 H10 Cl4 N3 Re6 S8 - | - C104 H40 Cl16 N12 Re24 S32 - | 4 | 0.5 | Takashi Yoshimura; Keisuke Umakoshi; Yoichi Sasaki; A. Geoffrey Sykes | Synthesis, Structures, and Redox Properties of Octa(μ3-sulfido)hexarhenium(III) Complexes Having Terminal Pyridine Ligands | Inorganic Chemistry | 1,999 | 38 | 5557 | 5564 | 10.1021/ic9907922 | 0.7107 | MoKα | 0.0885 | 0.0885 | null | null | 0.1342 | 0.1342 | null | null | null | null | null | 1.261 | null | null | has coordinates | Takashi Yoshimura; Keisuke Umakoshi; Yoichi Sasaki; A. Geoffrey Sykes
Synthesis, Structures, and Redox Properties of Octa(μ3-sulfido)hexarhenium(III) Complexes Having Terminal Pyridine Ligands
Inorganic Chemistry
38
(1999)
5557-5564 | 176,467 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/24/4322442.cif $
#-------------------------------------------------------------------... | |||||||||||||
2,002,961 | 9.0762 | 0.0012 | 9.0762 | 0.0012 | 9.0762 | 0.0012 | 90 | null | 90 | null | 90 | null | 747.67 | 0.17 | 10 | null | 10 | null | null | null | null | null | 4 | I m -3 | -I 2 2 3 | 204 | - Co1.26 Fe2.74 La0.743 Sb12 - | - Co1.256 Fe2.744 La0.743 Sb12 - | - Co2.512 Fe5.488 La1.486 Sb24 - | 2 | 0.041667 | BR0074 | Chakoumakos, Bryan C.; Sales, Brian C.; Mandrus, David; Keppens, Veerle | Disparate atomic displacements in skutterudite-type LaFe~3~CoSb~12~, a model for thermoelectric behavior | Acta Crystallographica Section B | 1,999 | 55 | 3 | 341 | 347 | 10.1107/S0108768198018345 | neutron | 0.8387 | neutron | null | 0.037 | null | null | 0.029 | null | null | null | 1.16 | 1.343 | 1.343 | null | null | null | has coordinates | Chakoumakos, Bryan C.; Sales, Brian C.; Mandrus, David; Keppens, Veerle
Disparate atomic displacements in skutterudite-type LaFe~3~CoSb~12~, a model for thermoelectric behavior
Acta Crystallographica Section B
55(3)
(1999)
341-347 | 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/2/00/29/2002961.cif $
#-------------------------------------------------------------------... | ||||||||||
2,002,962 | 10.4232 | 0.0001 | 17.6675 | 0.0002 | 7.5363 | 0.0001 | 90 | null | 90 | null | 90 | null | 1,387.82 | 0.03 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P c c n | -P 2ab 2ac | 56 | aminoguanidinium(2+) hexafluorosilicate | - C H8 F6 N4 Si - | - C H8 F6 N4 Si - | - C8 H64 F48 N32 Si8 - | 8 | 1 | BR0080 | Ross II, Charles R.; Bauer, M.R.; Nielson, R.M; Abrahams, S.C. | Anhydrous ammonioguanidinium(2+) and dihydrated bis[aminoguanidinium(1+)] hexafluorosilicates: new co-products of preparing ferroelectric ammonioguanidinium(2+) hexafluorozirconate | Acta Crystallographica Section B | 1,999 | 55 | 2 | 246 | 254 | 10.1107/S0108768198013044 | 1.5418 | CuKα | 0.0268 | 0.0255 | null | null | null | 0.0653 | null | null | null | null | null | 1.146 | null | null | has coordinates | Ross II, Charles R.; Bauer, M.R.; Nielson, R.M; Abrahams, S.C.
Anhydrous ammonioguanidinium(2+) and dihydrated bis[aminoguanidinium(1+)] hexafluorosilicates: new co-products of preparing ferroelectric ammonioguanidinium(2+) hexafluorozirconate
Acta Crystallographica Section B
55(2)
(1999)
246-254 | 301,791 | 2025-08-18 | 23:15:22 | #------------------------------------------------------------------------------
#$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/2/00/29/2002962.cif $
#-------------------------------------------------------------------... | ||||||||||
2,002,963 | 6.5124 | 0.0001 | 6.6952 | 0.0002 | 8.0215 | 0.0003 | 70.723 | 0.002 | 82.745 | 0.002 | 89.243 | 0.003 | 327.348 | 0.017 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | P -1 | -P 1 | 2 | diaminoguanidinium hexafluorosilicate dihydrate | - C2 H18 F6 N8 O2 Si - | - C2 H18 F6 N8 O2 Si - | - C2 H18 F6 N8 O2 Si - | 1 | 0.5 | BR0080 | Ross II, Charles R.; Bauer, M.R.; Nielson, R.M; Abrahams, S.C. | Anhydrous ammonioguanidinium(2+) and dihydrated bis[aminoguanidinium(1+)] hexafluorosilicates: new co-products of preparing ferroelectric ammonioguanidinium(2+) hexafluorozirconate | Acta Crystallographica Section B | 1,999 | 55 | 2 | 246 | 254 | 10.1107/S0108768198013044 | 1.5418 | CuKα | 0.0305 | 0.0301 | null | null | null | 0.0745 | null | null | null | null | null | 1.065 | null | null | has coordinates | Ross II, Charles R.; Bauer, M.R.; Nielson, R.M; Abrahams, S.C.
Anhydrous ammonioguanidinium(2+) and dihydrated bis[aminoguanidinium(1+)] hexafluorosilicates: new co-products of preparing ferroelectric ammonioguanidinium(2+) hexafluorozirconate
Acta Crystallographica Section B
55(2)
(1999)
246-254 | 301,791 | 2025-08-18 | 23:15:22 | #------------------------------------------------------------------------------
#$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/2/00/29/2002963.cif $
#-------------------------------------------------------------------... | ||||||||||
4,322,441 | 16.156 | 0.005 | 19.76 | 0.005 | 18.895 | 0.004 | 90 | null | 108.94 | 0.02 | 90 | null | 5,706 | 3 | 296.2 | null | 296.2 | null | null | null | null | null | 6 | P 1 21/n 1 | -P 2yn | 14 | - C31 H51 Cl3 N4 Re6 S8 - | - C31 H15 Cl3 N4 Re6 S8 - | - C124 H60 Cl12 N16 Re24 S32 - | 4 | 1 | Takashi Yoshimura; Keisuke Umakoshi; Yoichi Sasaki; A. Geoffrey Sykes | Synthesis, Structures, and Redox Properties of Octa(μ3-sulfido)hexarhenium(III) Complexes Having Terminal Pyridine Ligands | Inorganic Chemistry | 1,999 | 38 | 5557 | 5564 | 10.1021/ic9907922 | 0.7107 | MoKα | 0.055 | 0.055 | null | null | 0.0735 | 0.0735 | null | null | null | null | null | 1.617 | null | null | has coordinates | Takashi Yoshimura; Keisuke Umakoshi; Yoichi Sasaki; A. Geoffrey Sykes
Synthesis, Structures, and Redox Properties of Octa(μ3-sulfido)hexarhenium(III) Complexes Having Terminal Pyridine Ligands
Inorganic Chemistry
38
(1999)
5557-5564 | 176,467 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/24/4322441.cif $
#-------------------------------------------------------------------... | |||||||||||||
2,002,964 | 19.769 | 0.009 | 7.685 | 0.002 | 8.858 | 0.003 | 90 | null | 100.6 | 0.04 | 90 | null | 1,322.8 | 1.4 | 15 | 0.5 | null | null | null | null | null | null | 5 | C 1 2/c 1 | -C 2yc | null | - Cs3 H3.5 O12 P0.5 S2.5 - | - Cs3 H5 O12 P S2 - | - Cs12 H20 O48 P4 S8 - | 4 | 0.5 | Haile, S. M.; Klooster, W. T. | Single-crystal neutron diffraction study of β-Cs~3~(HSO~4~)~2~[H~2-x~(S~x~P~1-x~)O~4~] (x ≃ 0.5) at 15 K | Acta Crystallographica, Section B: Structural Science | 1,999 | 55 | 3 | 285 | 296 | 10.1107/s0108768198013573 | neutron | 1.0462 | Neutron | 0.111 | null | null | 0.084 | null | 0.038 | null | null | 1.3 | null | null | null | null | null | has coordinates | Haile, S. M.; Klooster, W. T.
Single-crystal neutron diffraction study of β-Cs~3~(HSO~4~)~2~[H~2-x~(S~x~P~1-x~)O~4~] (x ≃ 0.5) at 15 K
Acta Crystallographica, Section B: Structural Science
55(3)
(1999)
285-296 | 297,159 | 2025-01-07 | 6:57:16 | #------------------------------------------------------------------------------
#$Date: 2025-01-07 08:57:03 +0200 (Tue, 07 Jan 2025) $
#$Revision: 297159 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/29/2002964.cif $
#-------------------------------------------------------------------... | |||||||||||
2,002,965 | 19.769 | 0.009 | 7.685 | 0.002 | 8.858 | 0.003 | 90 | null | 100.6 | 0.04 | 90 | null | 1,322.8 | 1.4 | 15 | 0.5 | null | null | null | null | null | null | 5 | C 1 2/c 1 | -C 2yc | null | - Cs3 H3.5 O12 P0.5 S2.5 - | - Cs3 H3.5 O12 P S2 - | - Cs12 H14 O48 P4 S8 - | 4 | 0.5 | Haile, S. M.; Klooster, W. T. | Single-crystal neutron diffraction study of β-Cs~3~(HSO~4~)~2~[H~2-x~(S~x~P~1-x~)O~4~] (x ≃ 0.5) at 15 K | Acta Crystallographica, Section B: Structural Science | 1,999 | 55 | 3 | 285 | 296 | 10.1107/s0108768198013573 | neutron | 1.0462 | Neutron | 0.108 | null | null | 0.081 | null | 0.036 | null | null | 1.25 | null | null | null | null | null | has coordinates | Haile, S. M.; Klooster, W. T.
Single-crystal neutron diffraction study of β-Cs~3~(HSO~4~)~2~[H~2-x~(S~x~P~1-x~)O~4~] (x ≃ 0.5) at 15 K
Acta Crystallographica, Section B: Structural Science
55(3)
(1999)
285-296 | 297,159 | 2025-01-07 | 6:57:19 | #------------------------------------------------------------------------------
#$Date: 2025-01-07 08:57:03 +0200 (Tue, 07 Jan 2025) $
#$Revision: 297159 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/29/2002965.cif $
#-------------------------------------------------------------------... | |||||||||||
2,002,966 | 4.547 | 0.002 | 5.947 | 0.003 | 14.731 | 0.009 | 90 | null | 90 | null | 90 | null | 398.3 | 0.4 | 143 | 1 | 143 | 1 | null | null | null | null | 5 | P 21 21 21 | P 2ac 2ab | 19 | N-trifluoromethyl formamide | - C2 H2 F3 N O - | - C2 H2 F3 N O - | - C8 H8 F12 N4 O4 - | 4 | 1 | CA0001 | Perpetuo, Genivaldo; Buschmann, Jürgen; Luger, Peter; Lentz, Dieter; Dreissig, D. | Low-temperature crystallization and structure determination of <i>N</i>-(trifluoromethyl)formamide, <i>N</i>-(2,2,2-trifluoroethyl)formamide and 2,2,2-trifluoroethyl isocyanide | Acta Crystallographica Section B | 1,999 | 55 | 1 | 70 | 77 | 10.1107/S0108768198006570 | 0.71068 | MoKα | 0.123 | 0.0696 | null | 0.2259 | 0.1708 | null | null | null | 1.105 | 1.105 | 1.105 | null | null | null | has coordinates | Perpetuo, Genivaldo; Buschmann, Jürgen; Luger, Peter; Lentz, Dieter; Dreissig, D.
Low-temperature crystallization and structure determination of <i>N</i>-(trifluoromethyl)formamide, <i>N</i>-(2,2,2-trifluoroethyl)formamide and 2,2,2-trifluoroethyl isocyanide
Acta Crystallographica Section B
55(1)
(1999)
70-77 | 301,791 | 2025-08-18 | 23:15:22 | #------------------------------------------------------------------------------
#$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/2/00/29/2002966.cif $
#-------------------------------------------------------------------... | ||||||||||
2,002,967 | 4.807 | 0.001 | 16.707 | 0.003 | 6.708 | 0.001 | 90 | null | 109.9 | 0.01 | 90 | null | 506.55 | 0.16 | 141 | 1 | 141 | 1 | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | - C3 H4 F3 N O - | - C3 H4 F3 N O - | - C12 H16 F12 N4 O4 - | 4 | 1 | CA0001 | Perpetuo, Genivaldo; Buschmann, Jürgen; Luger, Peter; Lentz, Dieter; Dreissig, D. | Low-temperature crystallization and structure determination of <i>N</i>-(trifluoromethyl)formamide, <i>N</i>-(2,2,2-trifluoroethyl)formamide and 2,2,2-trifluoroethyl isocyanide | Acta Crystallographica Section B | 1,999 | 55 | 1 | 70 | 77 | 10.1107/S0108768198006570 | 0.71068 | MoKα | 0.0783 | 0.0508 | null | 0.1402 | 0.1619 | null | null | null | 1.085 | 1.085 | 1.085 | null | null | null | has coordinates | Perpetuo, Genivaldo; Buschmann, Jürgen; Luger, Peter; Lentz, Dieter; Dreissig, D.
Low-temperature crystallization and structure determination of <i>N</i>-(trifluoromethyl)formamide, <i>N</i>-(2,2,2-trifluoroethyl)formamide and 2,2,2-trifluoroethyl isocyanide
Acta Crystallographica Section B
55(1)
(1999)
70-77 | 301,791 | 2025-08-18 | 23:15:22 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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4,322,440 | 19.304 | 0.003 | 17.894 | 0.007 | 18.773 | 0.004 | 90 | null | 90 | null | 90 | null | 6,485 | 3 | 296.2 | null | 296.2 | null | null | null | null | null | 6 | C m c a | -C 2ac 2 | 64 | - C44 H80 Cl4 N6 Re6 S8 - | - C44.6 H8 Cl4 N6 Re6 S8 - | - C178.4 H32 Cl16 N24 Re24 S32 - | 4 | null | Takashi Yoshimura; Keisuke Umakoshi; Yoichi Sasaki; A. Geoffrey Sykes | Synthesis, Structures, and Redox Properties of Octa(μ3-sulfido)hexarhenium(III) Complexes Having Terminal Pyridine Ligands | Inorganic Chemistry | 1,999 | 38 | 5557 | 5564 | 10.1021/ic9907922 | 0.71073 | MoKα | 0.0431 | 0.0431 | null | null | 0.0509 | 0.0509 | null | null | null | null | null | 1.047 | null | null | has coordinates | Takashi Yoshimura; Keisuke Umakoshi; Yoichi Sasaki; A. Geoffrey Sykes
Synthesis, Structures, and Redox Properties of Octa(μ3-sulfido)hexarhenium(III) Complexes Having Terminal Pyridine Ligands
Inorganic Chemistry
38
(1999)
5557-5564 | 176,467 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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#$Revision: 176467 $
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2,002,968 | 5.668 | 0.002 | 9.266 | 0.003 | 8.626 | 0.002 | 90 | null | 90 | null | 90 | null | 453 | 0.2 | 163 | 1 | 163 | 1 | null | null | null | null | 4 | P 21 21 21 | P 2ac 2ab | 19 | 2,2,2-trifluoroethyl isocyanide | - C3 H2 F3 N - | - C3 H2 F3 N - | - C12 H8 F12 N4 - | 4 | 1 | CA0001 | Perpetuo, Genivaldo; Buschmann, Jürgen; Luger, Peter; Lentz, Dieter; Dreissig, D. | Low-temperature crystallization and structure determination of <i>N</i>-(trifluoromethyl)formamide, <i>N</i>-(2,2,2-trifluoroethyl)formamide and 2,2,2-trifluoroethyl isocyanide | Acta Crystallographica Section B | 1,999 | 55 | 1 | 70 | 77 | 10.1107/S0108768198006570 | 0.71068 | MoKα | 0.0627 | 0.0329 | null | 0.0976 | 0.0839 | null | null | null | 1.008 | 1.044 | 1.044 | null | null | null | has coordinates | Perpetuo, Genivaldo; Buschmann, Jürgen; Luger, Peter; Lentz, Dieter; Dreissig, D.
Low-temperature crystallization and structure determination of <i>N</i>-(trifluoromethyl)formamide, <i>N</i>-(2,2,2-trifluoroethyl)formamide and 2,2,2-trifluoroethyl isocyanide
Acta Crystallographica Section B
55(1)
(1999)
70-77 | 301,791 | 2025-08-18 | 23:15:22 | #------------------------------------------------------------------------------
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2,002,969 | 21.937 | 0.008 | 15.327 | 0.003 | 6.924 | 0.001 | 90 | null | 90 | null | 90 | null | 2,328 | 2 | 296 | null | null | null | null | null | null | null | 4 | P b c a | -P 2ac 2ab | 61 | - C14 H15 N O2 - | - C14 H15 N O2 - | - C112 H120 N8 O16 - | 8 | 1 | Jerry P. Jasinski; Richard C. Woudenberg | 7-Dimethylaminocyclopenta[c]coumarin, In Two Polymorphic Forms | Acta Crystallographica Section C | 1,995 | 51 | 107 | 109 | 0.71069 | MoKα | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Jerry P. Jasinski; Richard C. Woudenberg
7-Dimethylaminocyclopenta[c]coumarin, In Two Polymorphic Forms
Acta Crystallographica Section C
51
(1995)
107-109 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,002,970 | 8.779 | 0.002 | 22.042 | 0.005 | 6.043 | 0.002 | 90 | null | 90 | null | 90 | null | 1,169.3 | 0.8 | 296 | null | null | null | null | null | null | null | 4 | P n a 21 | P 2c -2n | 33 | - C14 H15 N O2 - | - C14 H15 N O2 - | - C56 H60 N4 O8 - | 4 | 1 | Jerry P. Jasinski; Richard C. Woudenberg | 7-Dimethylaminocyclopenta[c]coumarin, In Two Polymorphic Forms | Acta Crystallographica Section C | 1,995 | 51 | 107 | 109 | 0.7107 | MoKα | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Jerry P. Jasinski; Richard C. Woudenberg
7-Dimethylaminocyclopenta[c]coumarin, In Two Polymorphic Forms
Acta Crystallographica Section C
51
(1995)
107-109 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
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2,002,971 | 8.3506 | 0.0009 | 18.0102 | 0.0017 | 9.636 | 0.0014 | 90 | null | 110.869 | 0.008 | 90 | null | 1,354.1 | 0.3 | 294 | 1 | 294 | 1 | null | null | null | null | 5 | P 1 21/a 1 | -P 2yab | 14 | 4,4'-Sulfonyldiphenol-pyrazine (2/1) | - C28 H24 N2 O8 S2 - | - C28 H24 N2 O8 S2 - | - C56 H48 N4 O16 S4 - | 2 | 0.5 | CF0004 | Ferguson, George; Glidewell, Christopher; Gregson, Richard M.; Lavender, Emma S. | Crystal engineering using bisphenols: interwoven ladders, sheet and framework structures in the binary adducts of 4,4'-sulfonyldiphenol with pyrazine (2/1), 4,4'-bipyridyl (1/1), <i>trans</i>-1,2-bis(4-pyridyl)ethene (1/1), 1,2-bis(4-pyridyl)ethane (1/1) and 4,4'-trimethylenedipyridine (1/1), and in 4,4'-sulfonyldiphen... | Acta Crystallographica, Section B: Structural Science | 1,999 | 55 | 4 | 573 | 590 | 10.1107/S0108768199002645 | 0.7107 | MoKα | 0.0489 | 0.0356 | null | null | null | 0.0966 | null | null | null | null | null | 1.035 | null | null | has coordinates,has Fobs | Ferguson, George; Glidewell, Christopher; Gregson, Richard M.; Lavender, Emma S.
Crystal engineering using bisphenols: interwoven ladders, sheet and framework structures in the binary adducts of 4,4'-sulfonyldiphenol with pyrazine (2/1), 4,4'-bipyridyl (1/1), <i>trans</i>-1,2-bis(4-pyridyl)ethene (1/1), 1,2-bis(4-pyrid... | 301,791 | 2025-08-18 | 23:15:22 | #------------------------------------------------------------------------------
#$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/2/00/29/2002971.cif $
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4,322,439 | 24.693 | 0.008 | 19.464 | 0.004 | 18.592 | 0.004 | 90 | null | 115.76 | 0.02 | 90 | null | 8,048 | 4 | 296.2 | null | 296.2 | null | null | null | null | null | 7 | C 1 2/c 1 | -C 2yc | 15 | - C46 H92 Cl4 N5 O2 Re6 S8 - | - C46 H10 Cl4 N6 O2 Re6 S8 - | - C184 H40 Cl16 N24 O8 Re24 S32 - | 4 | 0.5 | Takashi Yoshimura; Keisuke Umakoshi; Yoichi Sasaki; A. Geoffrey Sykes | Synthesis, Structures, and Redox Properties of Octa(μ3-sulfido)hexarhenium(III) Complexes Having Terminal Pyridine Ligands | Inorganic Chemistry | 1,999 | 38 | 5557 | 5564 | 10.1021/ic9907922 | 0.71073 | MoKα | 0.0517 | 0.0517 | null | null | 0.0774 | 0.0774 | null | null | null | null | null | 1.055 | null | null | has coordinates | Takashi Yoshimura; Keisuke Umakoshi; Yoichi Sasaki; A. Geoffrey Sykes
Synthesis, Structures, and Redox Properties of Octa(μ3-sulfido)hexarhenium(III) Complexes Having Terminal Pyridine Ligands
Inorganic Chemistry
38
(1999)
5557-5564 | 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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2,002,972 | 7.5765 | 0.001 | 23.9154 | 0.001 | 11.225 | 0.002 | 90 | null | 105.921 | 0.01 | 90 | null | 1,955.9 | 0.5 | 294 | 1 | 294 | 1 | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | 4,4'-Sulfonyldiphenol-4,4'-bipyridyl (1/1) | - C22 H18 N2 O4 S - | - C22 H18 N2 O4 S - | - C88 H72 N8 O16 S4 - | 4 | 1 | CF0004 | Ferguson, George; Glidewell, Christopher; Gregson, Richard M.; Lavender, Emma S. | Crystal engineering using bisphenols: interwoven ladders, sheet and framework structures in the binary adducts of 4,4'-sulfonyldiphenol with pyrazine (2/1), 4,4'-bipyridyl (1/1), <i>trans</i>-1,2-bis(4-pyridyl)ethene (1/1), 1,2-bis(4-pyridyl)ethane (1/1) and 4,4'-trimethylenedipyridine (1/1), and in 4,4'-sulfonyldiphen... | Acta Crystallographica, Section B: Structural Science | 1,999 | 55 | 4 | 573 | 590 | 10.1107/S0108768199002645 | 0.7107 | MoKα | 0.0667 | 0.0392 | null | null | null | 0.0984 | null | null | null | null | null | 1.053 | null | null | has coordinates,has Fobs | Ferguson, George; Glidewell, Christopher; Gregson, Richard M.; Lavender, Emma S.
Crystal engineering using bisphenols: interwoven ladders, sheet and framework structures in the binary adducts of 4,4'-sulfonyldiphenol with pyrazine (2/1), 4,4'-bipyridyl (1/1), <i>trans</i>-1,2-bis(4-pyridyl)ethene (1/1), 1,2-bis(4-pyrid... | 301,791 | 2025-08-18 | 23:15:22 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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4,322,438 | 9.129 | 0.002 | 11.099 | 0.002 | 12.537 | 0.002 | 90 | null | 94.14 | 0.02 | 90 | null | 1,267 | 0.4 | 170.2 | null | 170.2 | null | null | null | null | null | 6 | P 1 21/a 1 | -P 2yab | 14 | - C10 H20 Li N O S - | - C10 H20 Li N O S - | - C40 H80 Li4 N4 O4 S4 - | 4 | 1 | Tristram Chivers; Andrew Downard; Masood Parvez | Steric and Solvation Effects on the Aggregation of Lithium Thioamidates: Single-Strand Polymers with (LiS)n and (LiNCS)n Backbones | Inorganic Chemistry | 1,999 | 38 | 5565 | 5570 | 10.1021/ic990759f | 0.7107 | MoKα | 0.0487 | 0.0487 | null | 0.0475 | 0.0475 | null | null | null | 1.873 | 1.873 | 1.873 | null | null | null | has coordinates | Tristram Chivers; Andrew Downard; Masood Parvez
Steric and Solvation Effects on the Aggregation of Lithium Thioamidates: Single-Strand Polymers with (LiS)n and (LiNCS)n Backbones
Inorganic Chemistry
38
(1999)
5565-5570 | 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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2,002,973 | 7.3981 | 0.0008 | 12.7472 | 0.0015 | 13.0006 | 0.0013 | 115.037 | 0.008 | 102.398 | 0.01 | 94.239 | 0.01 | 1,065.9 | 0.2 | 294 | 1 | 294 | 1 | null | null | null | null | 5 | P -1 | -P 1 | 2 | 4,4'-Sulphonyldiphenol - trans-1,2-bis(4-pyridyl)ethylene (1/1) | - C24 H20 N2 O4 S - | - C24 H20 N2 O4 S - | - C48 H40 N4 O8 S2 - | 2 | 1 | CF0004 | Ferguson, George; Glidewell, Christopher; Gregson, Richard M.; Lavender, Emma S. | Crystal engineering using bisphenols: interwoven ladders, sheet and framework structures in the binary adducts of 4,4'-sulfonyldiphenol with pyrazine (2/1), 4,4'-bipyridyl (1/1), <i>trans</i>-1,2-bis(4-pyridyl)ethene (1/1), 1,2-bis(4-pyridyl)ethane (1/1) and 4,4'-trimethylenedipyridine (1/1), and in 4,4'-sulfonyldiphen... | Acta Crystallographica, Section B: Structural Science | 1,999 | 55 | 4 | 573 | 590 | 10.1107/S0108768199002645 | 0.7107 | MoKα | 0.0509 | 0.0357 | null | null | null | 0.1002 | null | null | null | null | null | 0.98 | null | null | has coordinates,has disorder,has Fobs | Ferguson, George; Glidewell, Christopher; Gregson, Richard M.; Lavender, Emma S.
Crystal engineering using bisphenols: interwoven ladders, sheet and framework structures in the binary adducts of 4,4'-sulfonyldiphenol with pyrazine (2/1), 4,4'-bipyridyl (1/1), <i>trans</i>-1,2-bis(4-pyridyl)ethene (1/1), 1,2-bis(4-pyrid... | 301,791 | 2025-08-18 | 23:15:22 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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4,322,437 | 10.974 | 0.003 | 8.575 | 0.005 | 14.898 | 0.005 | 90 | null | 91.33 | 0.03 | 90 | null | 1,401.6 | 1 | 170.2 | null | 170.2 | null | null | null | null | null | 6 | P 1 21/a 1 | -P 2yab | 14 | - C11 H22 Li N O2 S - | - C11 H22 Li N O2 S - | - C44 H88 Li4 N4 O8 S4 - | 4 | 1 | Tristram Chivers; Andrew Downard; Masood Parvez | Steric and Solvation Effects on the Aggregation of Lithium Thioamidates: Single-Strand Polymers with (LiS)n and (LiNCS)n Backbones | Inorganic Chemistry | 1,999 | 38 | 5565 | 5570 | 10.1021/ic990759f | 0.7107 | MoKα | 0.0527 | 0.0527 | null | 0.0433 | 0.0433 | null | null | null | 1.776 | 1.776 | 1.776 | null | null | null | has coordinates | Tristram Chivers; Andrew Downard; Masood Parvez
Steric and Solvation Effects on the Aggregation of Lithium Thioamidates: Single-Strand Polymers with (LiS)n and (LiNCS)n Backbones
Inorganic Chemistry
38
(1999)
5565-5570 | 301,838 | 2025-08-20 | 22:17:37 | #------------------------------------------------------------------------------
#$Date: 2025-08-21 01:01:10 +0300 (Thu, 21 Aug 2025) $
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2,002,974 | 7.7599 | 0.0009 | 12.4866 | 0.0016 | 12.914 | 0.002 | 114.003 | 0.014 | 104.694 | 0.014 | 93.69 | 0.013 | 1,085.6 | 0.3 | 294 | 1 | 294 | 1 | null | null | null | null | 5 | P -1 | -P 1 | 2 | 4,4'Sulfonyldiphenol–1,2-bis(4-pyridyl)ethane (1/1) | - C24 H22 N2 O4 S - | - C24 H22 N2 O4 S - | - C48 H44 N4 O8 S2 - | 2 | 1 | CF0004 | Ferguson, George; Glidewell, Christopher; Gregson, Richard M.; Lavender, Emma S. | Crystal engineering using bisphenols: interwoven ladders, sheet and framework structures in the binary adducts of 4,4'-sulfonyldiphenol with pyrazine (2/1), 4,4'-bipyridyl (1/1), <i>trans</i>-1,2-bis(4-pyridyl)ethene (1/1), 1,2-bis(4-pyridyl)ethane (1/1) and 4,4'-trimethylenedipyridine (1/1), and in 4,4'-sulfonyldiphen... | Acta Crystallographica, Section B: Structural Science | 1,999 | 55 | 4 | 573 | 590 | 10.1107/S0108768199002645 | 0.7107 | MoKα | 0.0558 | 0.0418 | null | null | null | 0.1225 | null | null | null | null | null | 1.072 | null | null | has coordinates,has Fobs | Ferguson, George; Glidewell, Christopher; Gregson, Richard M.; Lavender, Emma S.
Crystal engineering using bisphenols: interwoven ladders, sheet and framework structures in the binary adducts of 4,4'-sulfonyldiphenol with pyrazine (2/1), 4,4'-bipyridyl (1/1), <i>trans</i>-1,2-bis(4-pyridyl)ethene (1/1), 1,2-bis(4-pyrid... | 301,791 | 2025-08-18 | 23:15:22 | #------------------------------------------------------------------------------
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2,002,975 | 10.0292 | 0.001 | 15.579 | 0.002 | 15.0208 | 0.001 | 90 | null | 105.47 | 0.001 | 90 | null | 2,261.9 | 0.4 | 150 | 1 | 150 | 1 | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | 4,4'-Sulfonyldiphenol–4,4'-trimethylenedipyridine (1/1) | - C25 H24 N2 O4 S - | - C25 H24 N2 O4 S - | - C100 H96 N8 O16 S4 - | 4 | 1 | CF0004 | Ferguson, George; Glidewell, Christopher; Gregson, Richard M.; Lavender, Emma S. | Crystal engineering using bisphenols: interwoven ladders, sheet and framework structures in the binary adducts of 4,4'-sulfonyldiphenol with pyrazine (2/1), 4,4'-bipyridyl (1/1), <i>trans</i>-1,2-bis(4-pyridyl)ethene (1/1), 1,2-bis(4-pyridyl)ethane (1/1) and 4,4'-trimethylenedipyridine (1/1), and in 4,4'-sulfonyldiphen... | Acta Crystallographica, Section B: Structural Science | 1,999 | 55 | 4 | 573 | 590 | 10.1107/S0108768199002645 | 0.7107 | MoKα | 0.0692 | 0.0405 | null | null | null | 0.1151 | null | null | null | null | null | 1.039 | null | null | has coordinates,has Fobs | Ferguson, George; Glidewell, Christopher; Gregson, Richard M.; Lavender, Emma S.
Crystal engineering using bisphenols: interwoven ladders, sheet and framework structures in the binary adducts of 4,4'-sulfonyldiphenol with pyrazine (2/1), 4,4'-bipyridyl (1/1), <i>trans</i>-1,2-bis(4-pyridyl)ethene (1/1), 1,2-bis(4-pyrid... | 301,791 | 2025-08-18 | 23:15:22 | #------------------------------------------------------------------------------
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4,322,436 | 23.0997 | 0.0002 | 23.0997 | 0.0002 | 23.0997 | 0.0002 | 90 | null | 90 | null | 90 | null | 12,325.9 | 0.18 | 203 | 2 | 203 | 2 | null | null | null | null | 5 | P a -3 | -P 2ac 2ab 3 | 205 | - C114 H108 Br15 Cu8 P6 - | - C114 H108 Br15 Cu8 P6 - | - C456 H432 Br60 Cu32 P24 - | 4 | 0.166667 | Graham A. Bowmaker; Peter D. W. Boyd; Clifton E. F. Rickard; Marcia L. Scudder; Ian G. Dance | The [Cu8Br15]6- Ion, A Crystal-Stabilized High-Symmetry Mixed-Valence Copper Complex with a Linear Halogen Bridge | Inorganic Chemistry | 1,999 | 38 | 5476 | 5477 | 10.1021/ic990754i | 0.71073 | MoKα | 0.0801 | 0.0679 | null | null | 0.2194 | 0.2304 | null | null | null | null | null | 1.088 | null | null | has coordinates | Graham A. Bowmaker; Peter D. W. Boyd; Clifton E. F. Rickard; Marcia L. Scudder; Ian G. Dance
The [Cu8Br15]6- Ion, A Crystal-Stabilized High-Symmetry Mixed-Valence Copper Complex with a Linear Halogen Bridge
Inorganic Chemistry
38
(1999)
5476-5477 | 273,129 | 2022-02-23 | 10:11:35 | #------------------------------------------------------------------------------
#$Date: 2022-02-23 12:09:43 +0200 (Wed, 23 Feb 2022) $
#$Revision: 273129 $
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2,002,976 | 12.2739 | 0.001 | 19.454 | 0.002 | 20.6251 | 0.0013 | 90 | null | 90 | null | 90 | null | 4,924.8 | 0.7 | 294 | 1 | 294 | 1 | null | null | null | null | 5 | P 21 21 21 | P 2ac 2ab | 19 | 4,4'-Sulfonyldiphenol-4,4'-trimethylenedipiperidine-water (2/2/1) | - C25 H37 N2 O4.5 S - | - C25 H37 N2 O4.5 S - | - C200 H296 N16 O36 S8 - | 8 | 2 | CF0004 | Ferguson, George; Glidewell, Christopher; Gregson, Richard M.; Lavender, Emma S. | Crystal engineering using bisphenols: interwoven ladders, sheet and framework structures in the binary adducts of 4,4'-sulfonyldiphenol with pyrazine (2/1), 4,4'-bipyridyl (1/1), <i>trans</i>-1,2-bis(4-pyridyl)ethene (1/1), 1,2-bis(4-pyridyl)ethane (1/1) and 4,4'-trimethylenedipyridine (1/1), and in 4,4'-sulfonyldiphen... | Acta Crystallographica, Section B: Structural Science | 1,999 | 55 | 4 | 573 | 590 | 10.1107/S0108768199002645 | 0.7107 | MoKα | 0.0769 | 0.0416 | null | null | null | 0.1031 | null | null | null | null | null | 1.031 | null | null | has coordinates | Ferguson, George; Glidewell, Christopher; Gregson, Richard M.; Lavender, Emma S.
Crystal engineering using bisphenols: interwoven ladders, sheet and framework structures in the binary adducts of 4,4'-sulfonyldiphenol with pyrazine (2/1), 4,4'-bipyridyl (1/1), <i>trans</i>-1,2-bis(4-pyridyl)ethene (1/1), 1,2-bis(4-pyrid... | 301,791 | 2025-08-18 | 23:15:22 | #------------------------------------------------------------------------------
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2,002,977 | 13.0288 | 0.0017 | 12.1865 | 0.001 | 12.0778 | 0.0012 | 90 | null | 105.199 | 0.009 | 90 | null | 1,850.6 | 0.3 | 294 | 1 | 294 | 1 | null | null | null | null | 4 | C 1 2/c 1 | -C 2yc | 15 | 4,4'-Biphenol–1,10-phenanthroline (1/1) | - C24 H18 N2 O2 - | - C24 H18 N2 O2 - | - C96 H72 N8 O8 - | 4 | 0.5 | CF0005 | Ferguson, George; Glidewell, Christopher; Lavender, Emma S. | Crystal engineering using bisphenols and trisphenols. Complexes with 1,10-phenanthroline: hydrogen-bonded chains in adducts with 4,4'-biphenol (1/1) and 4,4'-sulfonyldiphenol (2/3), π–π stacked chains in the (1/2) adduct with 4,4'-thiodiphenol, and pairwise-interwoven nets in 1,1,1-tris(4-hydroxyphenyl)ethane–1,10-phen... | Acta Crystallographica Section B | 1,999 | 55 | 4 | 591 | 600 | 10.1107/S0108768199002657 | 0.7107 | MolybdenumKα | 0.0878 | 0.0334 | null | null | null | 0.0989 | null | null | null | null | null | 0.976 | null | null | has coordinates,has Fobs | Ferguson, George; Glidewell, Christopher; Lavender, Emma S.
Crystal engineering using bisphenols and trisphenols. Complexes with 1,10-phenanthroline: hydrogen-bonded chains in adducts with 4,4'-biphenol (1/1) and 4,4'-sulfonyldiphenol (2/3), π–π stacked chains in the (1/2) adduct with 4,4'-thiodiphenol, and pairwise-in... | 301,791 | 2025-08-18 | 23:15:22 | #------------------------------------------------------------------------------
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4,322,435 | 11.583 | 0.003 | 17.126 | 0.005 | 13.891 | 0.004 | 90 | null | 94.613 | 0.004 | 90 | null | 2,746.6 | 1.3 | 203 | 2 | 203 | 2 | null | null | null | null | 7 | P 1 21/n 1 | -P 2yn | 14 | - C40 H84 Cl2 Li6 N4 O10 S2 - | - C40 H84 Cl2 Li6 N4 O10 S2 - | - C80 H168 Cl4 Li12 N8 O20 S4 - | 2 | 0.5 | Justin K. Brask; Tristram Chivers; Glenn P. A. Yap | Template Effects of Lithium Salts on the Crystallization of Diazasulfates: X-ray Structures of {THF.Li2[O2S(NtBu)2]}8.2LiOH.2LiCl and {(THF.Li)2[O2S(NtBu)2].(THF)LiCl}2 | Inorganic Chemistry | 1,999 | 38 | 5588 | 5592 | 10.1021/ic990632q | 0.71073 | MoKα | 0.151 | 0.0586 | null | null | 0.1077 | 0.117 | null | null | null | null | null | 1.078 | null | null | has coordinates | Justin K. Brask; Tristram Chivers; Glenn P. A. Yap
Template Effects of Lithium Salts on the Crystallization of Diazasulfates: X-ray Structures of {THF.Li2[O2S(NtBu)2]}8.2LiOH.2LiCl and {(THF.Li)2[O2S(NtBu)2].(THF)LiCl}2
Inorganic Chemistry
38
(1999)
5588-5592 | 301,838 | 2025-08-20 | 22:17:37 | #------------------------------------------------------------------------------
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2,002,978 | 7.7342 | 0.0005 | 13.3624 | 0.0014 | 14.9843 | 0.0011 | 110.514 | 0.006 | 95.195 | 0.006 | 95.895 | 0.007 | 1,429.3 | 0.2 | 294 | 1 | 294 | 1 | null | null | null | null | 5 | P -1 | -P 1 | 2 | 4,4'-Thiodiphenol–1,10-phenanthroline (1/2) | - C36 H26 N4 O2 S - | - C36 H26 N4 O2 S - | - C72 H52 N8 O4 S2 - | 2 | 1 | CF0005 | Ferguson, George; Glidewell, Christopher; Lavender, Emma S. | Crystal engineering using bisphenols and trisphenols. Complexes with 1,10-phenanthroline: hydrogen-bonded chains in adducts with 4,4'-biphenol (1/1) and 4,4'-sulfonyldiphenol (2/3), π–π stacked chains in the (1/2) adduct with 4,4'-thiodiphenol, and pairwise-interwoven nets in 1,1,1-tris(4-hydroxyphenyl)ethane–1,10-phen... | Acta Crystallographica Section B | 1,999 | 55 | 4 | 591 | 600 | 10.1107/S0108768199002657 | 0.7107 | MolybdenumKα | 0.0648 | 0.0351 | null | null | null | 0.1004 | null | null | null | null | null | 1.035 | null | null | has coordinates,has Fobs | Ferguson, George; Glidewell, Christopher; Lavender, Emma S.
Crystal engineering using bisphenols and trisphenols. Complexes with 1,10-phenanthroline: hydrogen-bonded chains in adducts with 4,4'-biphenol (1/1) and 4,4'-sulfonyldiphenol (2/3), π–π stacked chains in the (1/2) adduct with 4,4'-thiodiphenol, and pairwise-in... | 301,791 | 2025-08-18 | 23:15:22 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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4,322,434 | 18.557 | 0.0012 | 15.7307 | 0.001 | 28.0629 | 0.0018 | 90 | null | 107.381 | 0.001 | 90 | null | 7,817.9 | 0.9 | 203 | 2 | 203 | 2 | null | null | null | null | 7 | P 1 21/n 1 | -P 2yn | 14 | - C110 H240 Cl2 Li20 N16 O28 S8 - | - C110 H240 Cl2 Li20 N16 O28 S8 - | - C220 H480 Cl4 Li40 N32 O56 S16 - | 2 | 0.5 | Justin K. Brask; Tristram Chivers; Glenn P. A. Yap | Template Effects of Lithium Salts on the Crystallization of Diazasulfates: X-ray Structures of {THF.Li2[O2S(NtBu)2]}8.2LiOH.2LiCl and {(THF.Li)2[O2S(NtBu)2].(THF)LiCl}2 | Inorganic Chemistry | 1,999 | 38 | 5588 | 5592 | 10.1021/ic990632q | 0.71073 | MoKα | 0.0819 | 0.0554 | null | null | 0.1575 | 0.1718 | null | null | null | null | null | 1.07 | null | null | has coordinates,has disorder | Justin K. Brask; Tristram Chivers; Glenn P. A. Yap
Template Effects of Lithium Salts on the Crystallization of Diazasulfates: X-ray Structures of {THF.Li2[O2S(NtBu)2]}8.2LiOH.2LiCl and {(THF.Li)2[O2S(NtBu)2].(THF)LiCl}2
Inorganic Chemistry
38
(1999)
5588-5592 | 301,838 | 2025-08-20 | 22:17:37 | #------------------------------------------------------------------------------
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2,002,979 | 15.8692 | 0.0016 | 24.3728 | 0.0017 | 13.0952 | 0.0009 | 90 | null | 102.362 | 0.008 | 90 | null | 4,947.5 | 0.7 | 294 | 1 | 294 | 1 | null | null | null | null | 5 | C 1 2/c 1 | -C 2yc | 15 | 4,4'-Sulfonyldiphenol–1,10-phenanthroline (2/3) | - C60 H44 N6 O8 S2 - | - C60 H44 N6 O8 S2 - | - C240 H176 N24 O32 S8 - | 4 | 0.5 | CF0005 | Ferguson, George; Glidewell, Christopher; Lavender, Emma S. | Crystal engineering using bisphenols and trisphenols. Complexes with 1,10-phenanthroline: hydrogen-bonded chains in adducts with 4,4'-biphenol (1/1) and 4,4'-sulfonyldiphenol (2/3), π–π stacked chains in the (1/2) adduct with 4,4'-thiodiphenol, and pairwise-interwoven nets in 1,1,1-tris(4-hydroxyphenyl)ethane–1,10-phen... | Acta Crystallographica Section B | 1,999 | 55 | 4 | 591 | 600 | 10.1107/S0108768199002657 | 0.7107 | MolybdenumKα | 0.0638 | 0.0408 | null | null | null | 0.104 | null | null | null | null | null | 1.034 | null | null | has coordinates,has Fobs | Ferguson, George; Glidewell, Christopher; Lavender, Emma S.
Crystal engineering using bisphenols and trisphenols. Complexes with 1,10-phenanthroline: hydrogen-bonded chains in adducts with 4,4'-biphenol (1/1) and 4,4'-sulfonyldiphenol (2/3), π–π stacked chains in the (1/2) adduct with 4,4'-thiodiphenol, and pairwise-in... | 301,791 | 2025-08-18 | 23:15:22 | #------------------------------------------------------------------------------
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2,002,980 | 22.811 | 0.003 | 22.029 | 0.003 | 10.7965 | 0.001 | 90 | null | 90 | null | 90 | null | 5,425.3 | 1.1 | 294 | 1 | 294 | 1 | null | null | null | null | 4 | P b c a | -P 2ac 2ab | 61 | 1,1,1-Tris(4-hydroxyphenyl)ethane‒1,10-phenanthroline‒methanol (1/1/1) | - C33 H30 N2 O4 - | - C33 H30 N2 O4 - | - C264 H240 N16 O32 - | 8 | 1 | CF0005 | Ferguson, George; Glidewell, Christopher; Lavender, Emma S. | Crystal engineering using bisphenols and trisphenols. Complexes with 1,10-phenanthroline: hydrogen-bonded chains in adducts with 4,4'-biphenol (1/1) and 4,4'-sulfonyldiphenol (2/3), π‒π stacked chains in the (1/2) adduct with 4,4'-thiodiphenol, and pairwise-interwoven nets in 1,1,1-tris(4-hydroxyphenyl)ethane‒1,10-phen... | Acta Crystallographica Section B | 1,999 | 55 | 4 | 591 | 600 | 10.1107/S0108768199002657 | 0.7107 | MolybdenumKα | 0.1305 | 0.0388 | null | null | null | 0.1075 | null | null | null | null | null | 0.874 | null | null | has coordinates | Ferguson, George; Glidewell, Christopher; Lavender, Emma S.
Crystal engineering using bisphenols and trisphenols. Complexes with 1,10-phenanthroline: hydrogen-bonded chains in adducts with 4,4'-biphenol (1/1) and 4,4'-sulfonyldiphenol (2/3), π‒π stacked chains in the (1/2) adduct with 4,4'-thiodiphenol, and pairwise-in... | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
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4,322,433 | 9.745 | 0.005 | 12.222 | 0.006 | 13.93 | 0.007 | 88.024 | 0.009 | 87.38 | 0.009 | 69.137 | 0.009 | 1,548.4 | 1.4 | 153 | 2 | 153 | 2 | null | null | null | null | 6 | P -1 | -P 1 | 2 | - C34 H30 N P2 Se2 Y - | - C34 H30 N P2 Se2 Y - | - C68 H60 N2 P4 Se4 Y2 - | 2 | 1 | Christopher G. Pernin; James A. Ibers | Bis(cyclopentadienyl)yttrium Complexes of the Ligand [N(QPPh2)2]- (Q = S, Se): Synthesis, Structure, and NMR Properties of Cp2Y[η3-N(QPPh2)2] | Inorganic Chemistry | 1,999 | 38 | 5478 | 5483 | 10.1021/ic990602n | 0.71073 | MoKα | 0.0926 | 0.0563 | null | null | 0.1209 | 0.1274 | null | null | null | null | null | 1.158 | null | null | has coordinates | Christopher G. Pernin; James A. Ibers
Bis(cyclopentadienyl)yttrium Complexes of the Ligand [N(QPPh2)2]- (Q = S, Se): Synthesis, Structure, and NMR Properties of Cp2Y[η3-N(QPPh2)2]
Inorganic Chemistry
38
(1999)
5478-5483 | 179,327 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,002,981 | 7.301 | 0.001 | 7.658 | 0.002 | 13.855 | 0.003 | 90 | null | 90 | null | 90 | null | 774.6 | 0.3 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 21 21 21 | P 2ac 2ab | 19 | (R,R)-Tartaric Acid Mono (N-Methylamide) Monohydrate | (R,R)-Tartaric Acid Mono (N-Methylamide) Monohydrate | - C5 H11 N O6 - | - C5 H11 N O6 - | - C20 H44 N4 O24 - | 4 | 1 | CF0006 | Rychlewska, Urszula; Szarecka, Agnieszka; Rychlewski, Jacek; Motała, Rafał | A mediated hydrogen bond in an α-hydroxycarboxyl group: X-ray structure of (<i>R</i>,<i>R</i>)-<i>N</i>-methyltartramic acid monohydrate and an <i>ab initio</i> study of model systems | Acta Crystallographica Section B | 1,999 | 55 | 4 | 617 | 625 | 10.1107/S0108768199005091 | 0.71073 | MoKα | 0.0587 | 0.031 | null | 0.0839 | 0.0737 | null | null | null | 1.065 | 1.063 | 1.063 | null | null | null | has coordinates | Rychlewska, Urszula; Szarecka, Agnieszka; Rychlewski, Jacek; Motała, Rafał
A mediated hydrogen bond in an α-hydroxycarboxyl group: X-ray structure of (<i>R</i>,<i>R</i>)-<i>N</i>-methyltartramic acid monohydrate and an <i>ab initio</i> study of model systems
Acta Crystallographica Section B
55(4)
(1999)
617-625 | 301,791 | 2025-08-18 | 23:15:22 | #------------------------------------------------------------------------------
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2,002,982 | 6.7685 | 0.0001 | 32.2337 | 0.0001 | 8.173 | 0.0001 | 90 | null | 111.578 | 0.001 | 90 | null | 1,658.17 | 0.03 | 298 | 2 | 298 | 2 | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | Bis[hexaaquacerium(III)] tetraaquacopper(II) tetrasquarate dihydrate | - C16 H36 Ce2 Cu O34 - | - C16 H36 Ce2 Cu O34 - | - C32 H72 Ce4 Cu2 O68 - | 2 | 0.5 | Ng, Seik Weng; Hu, Sheng-Zhi; Razak, Ibrahim Abdul; Fun, Hoong-Kun | Bis[hexaaquacerium(III)] tetraaquacopper(II) tetrasquarate dihydrate | Acta Crystallographica, Section E | 2,001 | 57 | m28 | m30 | 10.1107/S1600536800018791 | 0.71073 | MoKα | 0.055 | 0.043 | null | null | null | 0.105 | null | null | null | null | null | 1.02 | null | null | has coordinates | Ng, Seik Weng; Hu, Sheng-Zhi; Razak, Ibrahim Abdul; Fun, Hoong-Kun
Bis[hexaaquacerium(III)] tetraaquacopper(II) tetrasquarate dihydrate
Acta Crystallographica, Section E
57
(2001)
m28-m30 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,002,983 | 26.296 | null | 26.296 | null | 26.296 | null | 90 | null | 90 | null | 90 | null | 18,183.1 | null | 298 | null | null | null | null | null | null | null | 3 | P a -3 | -P 2ac 2ab 3 | null | - O7 V2 Zr - | - O7 V2 Zr - | - O756 V216 Zr108 - | 108 | 4.5 | CR0528 | Evans, J.S.O.; Hanson, J.C.; Sleight, A.W. | Room-Temperature Superstructure of ZrV~2~O~7~ | Acta Crystallographica Section B | 1,998 | 54 | 6 | 705 | 713 | 10.1107/S0108768198000962 | 1.088 | synchrotron | null | 0.0366 | null | null | 0.0414 | null | null | null | null | 0.905 | 0.905 | null | null | null | has coordinates | Evans, J.S.O.; Hanson, J.C.; Sleight, A.W.
Room-Temperature Superstructure of ZrV~2~O~7~
Acta Crystallographica Section B
54(6)
(1998)
705-713 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,002,984 | 7.3091 | 0.0006 | 7.3091 | 0.0006 | 7.3091 | 0.0006 | 90 | 0.007 | 90 | 0.007 | 90 | 0.007 | 390.47 | 0.06 | 293 | null | 293 | null | null | null | null | null | 2 | F d -3 m :2 | -F 4vw 2vw 3 | 227 | cubic_Laves | - Fe2 Ho - | - Fe2 Ho - | - Fe16 Ho8 - | 8 | 0.041667 | CR0535 | Streltsov V. A. | Synchrotron X-ray analysis of the electron density in HoFe~2~ | Acta Crystallographica Section B | 1,999 | 55 | 3 | 321 | 326 | 10.1107/S0108768198016759 | 0.75 | xray_vertical_wiggler | 0.00956 | 0.00956 | null | 0.01098 | 0.01098 | null | null | null | 1.403 | 1.403 | 1.403 | null | null | null | has coordinates | Streltsov V. A.
Synchrotron X-ray analysis of the electron density in HoFe~2~
Acta Crystallographica Section B
55(3)
(1999)
321-326 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,002,985 | 10.5 | 0.004 | 11.617 | 0.003 | 28.622 | 0.003 | 83.15 | 0.02 | 83.41 | 0.02 | 68.48 | 0.02 | 3,215.2 | 1.6 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P -1 | -P 1 | 2 | - C17 H22 N2 O3 - | - C17 H22 N2 O3 - | - C136 H176 N16 O24 - | 8 | 4 | DE0004 | Kálmán, A.; Argay, Gy. | Topological Description of Pseudosymmetries in <i>trans</i>-2,3,4,5,5a,6,7,8,9,9a-Decahydro-2-methyl-4-phenylaminocarbonylbenzo[<i>f</i>][1,4]oxazepin-3-one and Other Structures which Crystallize in Space Group <i>P</i>-1 with <i>Z</i> = 8 | Acta Crystallographica Section B | 1,998 | 54 | 6 | 877 | 888 | 10.1107/S0108768198005114 | 1.5418 | CuKα | 0.111 | 0.0457 | null | 0.1631 | 0.1137 | null | null | null | 1.038 | 0.978 | 0.978 | null | null | null | has coordinates | Kálmán, A.; Argay, Gy.
Topological Description of Pseudosymmetries in <i>trans</i>-2,3,4,5,5a,6,7,8,9,9a-Decahydro-2-methyl-4-phenylaminocarbonylbenzo[<i>f</i>][1,4]oxazepin-3-one and Other Structures which Crystallize in Space Group <i>P</i>-1 with <i>Z</i> = 8
Acta Crystallographica Section B
54(6)
(1998)
877-888 | 301,791 | 2025-08-18 | 23:15:22 | #------------------------------------------------------------------------------
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2,002,986 | 23.048 | 0.007 | 34.383 | 0.006 | 11.992 | 0.006 | 90 | null | 90 | null | 90 | null | 9,503 | 6 | 175 | null | 175 | 2 | null | null | null | null | 5 | P 21 21 21 | P 2ac 2ab | 19 | D20P | 1:1 complex of (R)-2,3:4,5-bis[1,2-(3-phenylnaphtho)]-1,6,9,12,15,18-hexaoxacycloeicosa-2,4- diene with phenylglycinium methyl ester perchlorate | - C51 H52 Cl N O13 - | - C51 H52 Cl N O13 - | - C408 H416 Cl8 N8 O104 - | 8 | 2 | FR0005 | Cram, Donald J.; de Graaff, R. A. G.; Knobler, Carolyn B.; Lingenfelter, David S.; Maverick, Emily F.; Trueblood, Kenneth N. | Chiral recognition between host and guest: a binaphthyl-18-crown-6 host with <small>D</small>-phenylglycinium methyl ester perchlorate guest. A difficult structure solved with <i>CRUNCH</i> | Acta Crystallographica Section B | 1,999 | 55 | 3 | 432 | 440 | 10.1107/S0108768198013524 | 1.5418 | CuKα | 0.0896 | 0.0793 | null | 0.2247 | 0.2112 | null | null | null | 1.003 | 1.01 | 1.01 | null | null | null | has coordinates,has disorder,has Fobs | Cram, Donald J.; de Graaff, R. A. G.; Knobler, Carolyn B.; Lingenfelter, David S.; Maverick, Emily F.; Trueblood, Kenneth N.
Chiral recognition between host and guest: a binaphthyl-18-crown-6 host with <small>D</small>-phenylglycinium methyl ester perchlorate guest. A difficult structure solved with <i>CRUNCH</i>
Acta ... | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,002,987 | 8.054 | 0.001 | 8.054 | 0.001 | 6.805 | 0.003 | 90 | null | 90 | null | 90 | null | 441.4 | 0.2 | 293 | 2 | 293 | 2 | null | null | null | null | 3 | I 4/m c m | -I 4 2c | 140 | - In1.4 Se2 Tl0.6 - | - In1.4 Se2 Tl0.6 - | - In5.6 Se8 Tl2.4 - | 4 | 0.125 | HA0154 | Hatzisymeon, K. G.; Kokkou, S. C.; Anagnostopoulos, A. N.; Rentzeperis, P. I. | X-ray Diffraction Study of the Crystal Structure of the Tl Ternary Chalcogenides Tl~2<i>x~</i>In~2(1{-~<i>x</i>)}Se~2~, <i>x</i> = 0.2, 0.3,···0.9 | Acta Crystallographica Section B | 1,998 | 54 | 4 | 358 | 364 | 10.1107/S0108768197017886 | 0.7107 | MoKa | 0.0798 | 0.0619 | null | null | 0.1242 | 0.1298 | null | null | null | null | null | 1.221 | null | null | has coordinates | Hatzisymeon, K. G.; Kokkou, S. C.; Anagnostopoulos, A. N.; Rentzeperis, P. I.
X-ray Diffraction Study of the Crystal Structure of the Tl Ternary Chalcogenides Tl~2<i>x~</i>In~2(1{-~<i>x</i>)}Se~2~, <i>x</i> = 0.2, 0.3,···0.9
Acta Crystallographica Section B
54(4)
(1998)
358-364 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,002,988 | 8.056 | 0.001 | 8.056 | 0.001 | 6.826 | 0.002 | 90 | null | 90 | null | 90 | null | 443 | 0.15 | 293 | 2 | 293 | 2 | null | null | null | null | 3 | I 4/m c m | -I 4 2c | 140 | - In1.2 Se2 Tl0.8 - | - In1.2 Se2 Tl0.8 - | - In4.8 Se8 Tl3.2 - | 4 | 0.125 | HA0154 | Hatzisymeon, K. G.; Kokkou, S. C.; Anagnostopoulos, A. N.; Rentzeperis, P. I. | X-ray Diffraction Study of the Crystal Structure of the Tl Ternary Chalcogenides Tl~2<i>x~</i>In~2(1{-~<i>x</i>)}Se~2~, <i>x</i> = 0.2, 0.3,···0.9 | Acta Crystallographica Section B | 1,998 | 54 | 4 | 358 | 364 | 10.1107/S0108768197017886 | 0.7107 | MoKa | 0.0495 | 0.0426 | null | null | 0.0942 | 0.0969 | null | null | null | null | null | 1.172 | null | null | has coordinates | Hatzisymeon, K. G.; Kokkou, S. C.; Anagnostopoulos, A. N.; Rentzeperis, P. I.
X-ray Diffraction Study of the Crystal Structure of the Tl Ternary Chalcogenides Tl~2<i>x~</i>In~2(1{-~<i>x</i>)}Se~2~, <i>x</i> = 0.2, 0.3,···0.9
Acta Crystallographica Section B
54(4)
(1998)
358-364 | 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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2,002,989 | 8.057 | 0.001 | 8.057 | 0.001 | 6.83 | 0.001 | 90 | null | 90 | null | 90 | null | 443.37 | 0.1 | 293 | 2 | 293 | 2 | null | null | null | null | 3 | I 4/m c m | -I 4 2c | 140 | - In0.8 Se2 Tl1.2 - | - In0.8 Se2 Tl1.2 - | - In3.2 Se8 Tl4.8 - | 4 | 0.125 | HA0154 | Hatzisymeon, K. G.; Kokkou, S. C.; Anagnostopoulos, A. N.; Rentzeperis, P. I. | X-ray Diffraction Study of the Crystal Structure of the Tl Ternary Chalcogenides Tl~2<i>x~</i>In~2(1{-~<i>x</i>)}Se~2~, <i>x</i> = 0.2, 0.3,···0.9 | Acta Crystallographica Section B | 1,998 | 54 | 4 | 358 | 364 | 10.1107/S0108768197017886 | 0.7107 | MoKa | 0.0998 | 0.087 | null | null | 0.2233 | 0.2332 | null | null | null | null | null | 1.105 | null | null | has coordinates | Hatzisymeon, K. G.; Kokkou, S. C.; Anagnostopoulos, A. N.; Rentzeperis, P. I.
X-ray Diffraction Study of the Crystal Structure of the Tl Ternary Chalcogenides Tl~2<i>x~</i>In~2(1{-~<i>x</i>)}Se~2~, <i>x</i> = 0.2, 0.3,···0.9
Acta Crystallographica Section B
54(4)
(1998)
358-364 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,002,990 | 9.369 | 0.002 | 5.563 | 0.001 | 13.626 | 0.003 | 90 | null | 92.36 | 0.03 | 90 | null | 709.6 | 0.3 | 100 | 2 | 100 | 2 | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | 2-methyl-5-nitroaniline | - C7 H8 N2 O2 - | - C7 H8 N2 O2 - | - C28 H32 N8 O8 - | 4 | 1 | HA0171 | Ellena, Javier; Goeta, Andrés E.; Howard, Judith A. K.; Wilson, Chick C.; Autino, Juan C.; Punte, Graciela | Experimental evidence for the amino-group non-planarity in nitroanilines: neutron diffraction study of 2-methyl-5-nitroaniline at 100 K | Acta Crystallographica, Section B: Structural Science | 1,999 | 55 | 2 | 209 | 215 | 10.1107/S0108768198010349 | neutron | null | neutron | 0.0669 | 0.0669 | null | 0.1544 | 0.1544 | null | null | null | 1.137 | 1.137 | 1.137 | null | null | null | has coordinates | Ellena, Javier; Goeta, Andrés E.; Howard, Judith A. K.; Wilson, Chick C.; Autino, Juan C.; Punte, Graciela
Experimental evidence for the amino-group non-planarity in nitroanilines: neutron diffraction study of 2-methyl-5-nitroaniline at 100 K
Acta Crystallographica, Section B: Structural Science
55(2)
(1999)
209-215 | 301,791 | 2025-08-18 | 23:15:22 | #------------------------------------------------------------------------------
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2,002,991 | 5.289 | 0.0001 | 12.6877 | 0.0001 | 11.4872 | 0.0001 | 90 | null | 95.8136 | 0.0005 | 90 | null | 766.887 | 0.017 | 150 | 2 | 150 | 2 | null | null | null | null | 4 | P 1 21 1 | P 2yb | 4 | L-leucyl-L-valine methanol (1:1) | - C12 H26 N2 O4 - | - C12 H26 N2 O4 - | - C24 H52 N4 O8 - | 2 | 1 | HA0173 | Görbitz, Carl Henrik; Torgersen, Eirin | Symmetry, pseudosymmetry and packing disorder in the alcohol solvates of <small>L</small>-leucyl-<small>L</small>-valine | Acta Crystallographica, Section B: Structural Science | 1,999 | 55 | 1 | 104 | 113 | 10.1107/S0108768198010192 | 0.71073 | MoKα | 0.1003 | 0.0656 | null | 0.179 | 0.1584 | null | null | null | 0.985 | 1.064 | 1.064 | null | null | null | has coordinates,has disorder,has Fobs | Görbitz, Carl Henrik; Torgersen, Eirin
Symmetry, pseudosymmetry and packing disorder in the alcohol solvates of <small>L</small>-leucyl-<small>L</small>-valine
Acta Crystallographica, Section B: Structural Science
55(1)
(1999)
104-113 | 301,791 | 2025-08-18 | 23:15:22 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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4,322,432 | 9.685 | 0.005 | 12.176 | 0.006 | 13.978 | 0.007 | 87.382 | 0.009 | 87.358 | 0.009 | 68.689 | 0.009 | 1,533.3 | 1.3 | 153 | 2 | 153 | 2 | null | null | null | null | 6 | P -1 | -P 1 | 2 | - C34 H30 N P2 S2 Y - | - C34 H30 N P2 S2 Y - | - C68 H60 N2 P4 S4 Y2 - | 2 | 1 | Christopher G. Pernin; James A. Ibers | Bis(cyclopentadienyl)yttrium Complexes of the Ligand [N(QPPh2)2]- (Q = S, Se): Synthesis, Structure, and NMR Properties of Cp2Y[η3-N(QPPh2)2] | Inorganic Chemistry | 1,999 | 38 | 5478 | 5483 | 10.1021/ic990602n | 0.71073 | MoKα | 0.1154 | 0.0469 | null | null | 0.095 | 0.1197 | null | null | null | null | null | 1.048 | null | null | has coordinates | Christopher G. Pernin; James A. Ibers
Bis(cyclopentadienyl)yttrium Complexes of the Ligand [N(QPPh2)2]- (Q = S, Se): Synthesis, Structure, and NMR Properties of Cp2Y[η3-N(QPPh2)2]
Inorganic Chemistry
38
(1999)
5478-5483 | 179,327 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,002,992 | 11.0112 | 0.0001 | 23.5186 | 0.0001 | 12.2636 | 0.0001 | 90 | null | 90.0121 | 0.0008 | 90 | null | 3,175.88 | 0.04 | 150 | 2 | 150 | 2 | null | null | null | null | 4 | P 1 21 1 | P 2yb | 4 | L-leucyl-L-valine ethanol (1:1) | - C13 H28 N2 O4 - | - C13 H28 N2 O4 - | - C104 H224 N16 O32 - | 8 | 4 | HA0173 | Görbitz, Carl Henrik; Torgersen, Eirin | Symmetry, pseudosymmetry and packing disorder in the alcohol solvates of <small>L</small>-leucyl-<small>L</small>-valine | Acta Crystallographica, Section B: Structural Science | 1,999 | 55 | 1 | 104 | 113 | 10.1107/S0108768198010192 | 0.71073 | MoKα | 0.1004 | 0.0645 | null | 0.1441 | 0.1249 | null | null | null | 1.072 | 1.088 | 1.088 | null | null | null | has coordinates,has Fobs | Görbitz, Carl Henrik; Torgersen, Eirin
Symmetry, pseudosymmetry and packing disorder in the alcohol solvates of <small>L</small>-leucyl-<small>L</small>-valine
Acta Crystallographica, Section B: Structural Science
55(1)
(1999)
104-113 | 301,791 | 2025-08-18 | 23:15:22 | #------------------------------------------------------------------------------
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2,002,993 | 5.1709 | 0.0001 | 14.6136 | 0.0002 | 22.423 | 0.0004 | 90 | null | 90 | null | 90 | null | 1,694.4 | 0.05 | 150 | 2 | 150 | 2 | null | null | null | null | 4 | P 21 21 21 | P 2ac 2ab | 19 | L-leucyl-L-valine 2-propanol (1:1) | - C14 H30 N2 O4 - | - C14 H30 N2 O4 - | - C56 H120 N8 O16 - | 4 | 1 | HA0173 | Görbitz, Carl Henrik; Torgersen, Eirin | Symmetry, pseudosymmetry and packing disorder in the alcohol solvates of <small>L</small>-leucyl-<small>L</small>-valine | Acta Crystallographica, Section B: Structural Science | 1,999 | 55 | 1 | 104 | 113 | 10.1107/S0108768198010192 | 0.71073 | MoKα | 0.0796 | 0.0559 | null | 0.1358 | 0.1225 | null | null | null | 1.106 | 1.14 | 1.14 | null | null | null | has coordinates,has disorder,has Fobs | Görbitz, Carl Henrik; Torgersen, Eirin
Symmetry, pseudosymmetry and packing disorder in the alcohol solvates of <small>L</small>-leucyl-<small>L</small>-valine
Acta Crystallographica, Section B: Structural Science
55(1)
(1999)
104-113 | 301,791 | 2025-08-18 | 23:15:22 | #------------------------------------------------------------------------------
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2,002,994 | 6.585 | null | 9.038 | null | 15.205 | null | 94.9 | null | 95.74 | null | 110 | null | 839.138 | null | 200 | 2 | 200 | 2 | null | null | null | null | 4 | P -1 | -P 1 | 2 | beta-co-(BEDT-TTF)2I3 | beta-co-(bis(ethylenedithio)tetrathiafulvalene)2 triiodide | - C10 H8 I1.5 S8 - | - C10 H8 I1.479 S8 - | - C20 H16 I2.958 S16 - | 2 | 1 | HA0183 | Madsen, Dennis; Burghammer, Manfred; Fiedler, Stefan; Muller, Harald | The single-crystal structure of the organic superconductor β~CO~-(BEDT-TTF)~2~I~3~ from a powder grain | Acta Crystallographica Section B | 1,999 | 55 | 4 | 601 | 606 | 10.1107/S0108768199003468 | 0.6887 | Synchrotron | 0.0462 | 0.0371 | null | null | null | 0.0812 | null | null | null | null | null | 1.076 | null | null | has coordinates,has disorder | Madsen, Dennis; Burghammer, Manfred; Fiedler, Stefan; Muller, Harald
The single-crystal structure of the organic superconductor β~CO~-(BEDT-TTF)~2~I~3~ from a powder grain
Acta Crystallographica Section B
55(4)
(1999)
601-606 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,002,995 | 7.304 | 0.003 | 9.981 | 0.003 | 19.956 | 0.006 | 90 | null | 90 | null | 90 | null | 1,454.8 | 0.9 | 298 | null | 298 | 2 | null | null | null | null | 4 | P c c a | -P 2a 2ac | 54 | - C8 H18 Cd O11 - | - C8 H14 Cd O11 - | - C32 H56 Cd4 O44 - | 4 | 0.5 | HR0036 | Michaelides, O. A.; Tsaousis, D.; Skoulika, S.; Raptopoulou, C. P.; Terzis, A. | An Unusual Hydrogen-Bonded Network Associated with Metal-Organic Chains: Structure and Crystal Packing of the Coordination Polymer [Cd(terephthalate)(H~2~O)~3~].4H~2~O | Acta Crystallographica Section B | 1,998 | 54 | 5 | 657 | 662 | 10.1107/S0108768197020107 | 0.71073 | MoKα | 0.0303 | 0.0277 | null | 0.0743 | 0.0716 | null | null | null | 1.119 | 1.143 | 1.143 | null | null | null | has coordinates,has Fobs | Michaelides, O. A.; Tsaousis, D.; Skoulika, S.; Raptopoulou, C. P.; Terzis, A.
An Unusual Hydrogen-Bonded Network Associated with Metal-Organic Chains: Structure and Crystal Packing of the Coordination Polymer [Cd(terephthalate)(H~2~O)~3~].4H~2~O
Acta Crystallographica Section B
54(5)
(1998)
657-662 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
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2,002,996 | 7.5355 | 0.0009 | 7.5355 | 0.0009 | 10.991 | 0.0014 | 90 | null | 90 | null | 90 | null | 624.11 | 0.14 | 223 | 2 | 223 | 2 | null | null | null | null | 5 | P 42/n m c :1 | P 4n 2n -1n | 137 | Tetramethylammonium Sulfate | - C8 H24 N2 O4 S - | - C8 H24 N2 O4 S - | - C16 H48 N4 O8 S2 - | 2 | 0.125 | JZ2003 | Malchus, Michael; Jansen, Martin | Structural Investigations of the Phase Transitions of Tetramethylammonium Sulfate | Acta Crystallographica, Section B | 1,998 | 54 | 4 | 494 | 502 | 10.1107/S0108768197018351 | 0.7107 | MoKα | 0.0407 | 0.0364 | null | 0.0921 | 0.0888 | null | null | null | 1.174 | 1.194 | 1.194 | null | null | null | has coordinates | Malchus, Michael; Jansen, Martin
Structural Investigations of the Phase Transitions of Tetramethylammonium Sulfate
Acta Crystallographica, Section B
54(4)
(1998)
494-502 | 301,791 | 2025-08-18 | 23:15:22 | #------------------------------------------------------------------------------
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2,002,997 | 10.8948 | 0.0009 | 10.8948 | 0.0009 | 10.789 | 0.002 | 90 | null | 90 | null | 90 | null | 1,280.6 | 0.3 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P 4/n b m :1 | P 4 2 -1ab | 125 | Tetramethylammonium Sulfate | - C8 H24 N2 O4 S - | - C8 H24 N2 O4 S - | - C32 H96 N8 O16 S4 - | 4 | 0.25 | JZ2003 | Malchus, Michael; Jansen, Martin | Structural Investigations of the Phase Transitions of Tetramethylammonium Sulfate | Acta Crystallographica Section B | 1,998 | 54 | 4 | 494 | 502 | 10.1107/S0108768197018351 | 0.7107 | MoKα | 0.0786 | 0.0667 | null | 0.1233 | 0.1181 | null | null | null | 1.312 | 1.344 | 1.344 | null | null | null | has coordinates | Malchus, Michael; Jansen, Martin
Structural Investigations of the Phase Transitions of Tetramethylammonium Sulfate
Acta Crystallographica Section B
54(4)
(1998)
494-502 | 188,597 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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4,322,431 | 9.431 | 0.002 | 11.36 | 0.003 | 13.083 | 0.002 | 66.38 | 0.03 | 73.44 | 0.02 | 84.68 | 0.03 | 1,230.6 | 0.6 | 200 | 2 | 200 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | - C51 H72 Cl2 N8 Yb2 - | - C51 H60 Cl2 N8 Yb2 - | - C51 H60 Cl2 N8 Yb2 - | 1 | 0.5 | Peter W. Roesky; Markus R. Bürgstein | Bridged Aminotroponiminate Complexes of the Lanthanides | Inorganic Chemistry | 1,999 | 38 | 5629 | 5632 | 10.1021/ic990533c | 0.71073 | MoKα | 0.0252 | 0.0223 | null | 0.0591 | 0.0562 | null | null | null | 1.101 | 1.084 | 1.084 | null | null | null | has coordinates,has disorder | Peter W. Roesky; Markus R. Bürgstein
Bridged Aminotroponiminate Complexes of the Lanthanides
Inorganic Chemistry
38
(1999)
5629-5632 | 179,327 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,002,998 | 12.623 | 0.002 | 12.623 | 0.002 | 26.325 | 0.005 | 90 | null | 90 | null | 120 | null | 3,632.7 | 1.1 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | P 31 | P 31 | 144 | - C57 H52 Cl O2 Os P3 - | - C57 H51 Cl O2 Os P3 - | - C171 H153 Cl3 O6 Os3 P9 - | 3 | 1 | JZ0004 | Herbst-Irmer, Regine; Sheldrick, George M. | Refinement of Twinned Structures with <i>SHELXL</i>97 | Acta Crystallographica Section B | 1,998 | 54 | 4 | 443 | 449 | 10.1107/S0108768197018454 | 0.71073 | MoKα | 0.0589 | 0.0462 | null | null | null | 0.1019 | null | null | null | null | null | 1.067 | null | null | has coordinates,has disorder | Herbst-Irmer, Regine; Sheldrick, George M.
Refinement of Twinned Structures with <i>SHELXL</i>97
Acta Crystallographica Section B
54(4)
(1998)
443-449 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
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2,002,999 | 12.8417 | 0.0012 | 14.4195 | 0.0013 | 7.4622 | 0.0009 | 90 | null | 90 | null | 90 | null | 1,381.8 | 0.2 | 293 | 2 | 293 | 2 | null | null | null | null | 3 | P 21 21 21 | P 2ac 2ab | 19 | titanium(IV) oxide phosphate | Pentatitanium(IV)-tetroxide-tetrakis(phosphate) | - O20 P4 Ti5 - | - O20 P4 Ti4.999 - | - O80 P16 Ti19.996 - | 4 | 1 | JZ0005 | Glaum, Robert; Reinauer, Felix | Ideal and Real Structure of Ti~5~O~4~(PO~4~)~4~: X-ray and HRTEM Investigations | Acta Crystallographica Section B | 1,998 | 54 | 6 | 722 | 731 | 10.1107/S0108768198003590 | 0.71069 | MoKα | 0.0569 | 0.0418 | null | 0.143 | 0.1364 | null | null | null | 1.112 | 1.213 | 1.213 | null | null | null | has coordinates | Glaum, Robert; Reinauer, Felix
Ideal and Real Structure of Ti~5~O~4~(PO~4~)~4~: X-ray and HRTEM Investigations
Acta Crystallographica Section B
54(6)
(1998)
722-731 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,003,000 | 8.075 | 0.002 | 8.871 | 0.002 | 11.606 | 0.002 | 72.69 | 0.03 | 80.07 | 0.03 | 71.84 | 0.03 | 751.3 | 0.3 | 153 | 2 | 153 | 2 | null | null | null | null | 3 | P 1 | P 1 | 1 | Emycin_E | - C19 H18 O4 - | - C19 H18 O4 - | - C38 H36 O8 - | 2 | 2 | JZ0006 | Walker, Martina; Pohl, Ehmke; Herbst-Irmer, Regine; Gerlitz, Martin; Rohr, Jürgen; Sheldrick, George M. | Absolute configurations of Emycin D, E and F; mimicry of centrosymmetric space groups by mixtures of chiral stereoisomers | Acta Crystallographica Section B | 1,999 | 55 | 4 | 607 | 616 | 10.1107/S0108768199003948 | 0.71073 | MoKα | 0.0779 | 0.0526 | null | null | null | 0.1178 | null | null | null | null | null | 1.033 | null | null | has coordinates | Walker, Martina; Pohl, Ehmke; Herbst-Irmer, Regine; Gerlitz, Martin; Rohr, Jürgen; Sheldrick, George M.
Absolute configurations of Emycin D, E and F; mimicry of centrosymmetric space groups by mixtures of chiral stereoisomers
Acta Crystallographica Section B
55(4)
(1999)
607-616 | 301,791 | 2025-08-18 | 23:15:22 | #------------------------------------------------------------------------------
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2,003,001 | 7.796 | 0.002 | 7.914 | 0.002 | 22.243 | 0.002 | 90 | null | 92.12 | 0.02 | 90 | null | 1,371.4 | 0.5 | 153 | 2 | 153 | 2 | null | null | null | null | 4 | P 1 21 1 | P 2yb | 4 | Di-o-brominebenzoyl-Emycin_F | - C33 H24 Br2 O6 - | - C33 H24 Br2 O6 - | - C66 H48 Br4 O12 - | 2 | 1 | JZ0006 | Walker, Martina; Pohl, Ehmke; Herbst-Irmer, Regine; Gerlitz, Martin; Rohr, Jürgen; Sheldrick, George M. | Absolute configurations of Emycin D, E and F; mimicry of centrosymmetric space groups by mixtures of chiral stereoisomers | Acta Crystallographica Section B | 1,999 | 55 | 4 | 607 | 616 | 10.1107/S0108768199003948 | 0.71073 | MoKα | 0.0552 | 0.0418 | null | null | null | 0.0966 | null | null | null | null | null | 1.029 | null | null | has coordinates | Walker, Martina; Pohl, Ehmke; Herbst-Irmer, Regine; Gerlitz, Martin; Rohr, Jürgen; Sheldrick, George M.
Absolute configurations of Emycin D, E and F; mimicry of centrosymmetric space groups by mixtures of chiral stereoisomers
Acta Crystallographica Section B
55(4)
(1999)
607-616 | 301,791 | 2025-08-18 | 23:15:22 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,003,002 | 8.279 | 0.002 | 11.539 | 0.003 | 11.962 | 0.003 | 101.32 | 0.02 | 110.25 | 0.02 | 92.76 | 0.02 | 1,042.9 | 0.5 | 153 | 2 | 153 | 2 | null | null | null | null | 4 | P 1 | P 1 | 1 | O-brominebenzoyl-Emycin_D | - C26 H19 Br O5 - | - C26 H19 Br O5 - | - C52 H38 Br2 O10 - | 2 | 2 | JZ0006 | Walker, Martina; Pohl, Ehmke; Herbst-Irmer, Regine; Gerlitz, Martin; Rohr, Jürgen; Sheldrick, George M. | Absolute configurations of Emycin D, E and F; mimicry of centrosymmetric space groups by mixtures of chiral stereoisomers | Acta Crystallographica Section B | 1,999 | 55 | 4 | 607 | 616 | 10.1107/S0108768199003948 | 0.71073 | MoKα | 0.0334 | 0.0307 | null | null | null | 0.0892 | null | null | null | null | null | 1.298 | null | null | has coordinates | Walker, Martina; Pohl, Ehmke; Herbst-Irmer, Regine; Gerlitz, Martin; Rohr, Jürgen; Sheldrick, George M.
Absolute configurations of Emycin D, E and F; mimicry of centrosymmetric space groups by mixtures of chiral stereoisomers
Acta Crystallographica Section B
55(4)
(1999)
607-616 | 301,791 | 2025-08-18 | 23:15:22 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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2,003,003 | 23.808 | 0.004 | 23.808 | 0.004 | 23.14 | 0.003 | 90 | null | 90 | null | 90 | null | 13,116 | 4 | 293 | 2 | 293 | 2 | null | null | null | null | 3 | P 4 21 2 | P 4ab 2ab | 90 | gamma-Cyclodextrin methanol | ? | - C48 H56 O53.28 - | - C288 H336 O319.68 - | 6 | 0.75 | KA0038 | Steiner, T.; Saenger, W. | Channel-Type Crystal Packing in the Very Rare Space Group <i>P</i>42~1~2 with <i>Z</i>' = 3/4: Crystal Structure of the Complex γ-Cyclodextrin‒Methanol‒<i>n</i>-Hydrate | Acta Crystallographica Section B | 1,998 | 54 | 4 | 450 | 455 | 10.1107/S0108768197014547 | 1.54176 | CuKα | 0.152 | 0.086 | null | 0.2618 | 0.2201 | null | null | null | 1.009 | 1.339 | 1.339 | null | null | null | has coordinates,has disorder | Steiner, T.; Saenger, W.
Channel-Type Crystal Packing in the Very Rare Space Group <i>P</i>42~1~2 with <i>Z</i>' = 3/4: Crystal Structure of the Complex γ-Cyclodextrin‒Methanol‒<i>n</i>-Hydrate
Acta Crystallographica Section B
54(4)
(1998)
450-455 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,003,004 | 5.312 | 0.001 | 6.5557 | 0.0008 | 42.196 | 0.008 | 90 | null | 90 | null | 90 | null | 1,469.5 | 0.8 | 295 | null | null | null | null | null | null | null | 3 | P 21 21 21 | P 2ac 2ab | null | - O80 P4 W24 - | - O80 P4 W24 - | - O80 P4 W24 - | 1 | 0.25 | Roussel, P.; Mather, G.; Domengès, B.; Groult, D.; Labbé, P. | Structural Investigation of P~4~W~24~O~80~: A New Monophosphate Tungsten Bronze | Acta Crystallographica, Section B: Structural Science | 1,998 | 54 | 4 | 365 | 375 | 10.1107/s0108768197013785 | 0.71073 | MoKα | null | 0.0284 | null | null | 0.0272 | null | null | null | null | 1.8 | 1.8 | null | null | null | has coordinates | Roussel, P.; Mather, G.; Domengès, B.; Groult, D.; Labbé, P.
Structural Investigation of P~4~W~24~O~80~: A New Monophosphate Tungsten Bronze
Acta Crystallographica, Section B: Structural Science
54(4)
(1998)
365-375 | 206,175 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2018-02-05 10:33:08 +0200 (Mon, 05 Feb 2018) $
#$Revision: 206175 $
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2,003,005 | 10.772 | 0.002 | 10.772 | 0.002 | 10.772 | 0.002 | 90 | null | 90 | null | 90 | null | 1,249.9 | 0.4 | 293 | null | 293 | null | null | null | null | null | 3 | P 21 3 | P 2ac 2ab 3 | 198 | - Ag7 P Se6 - | - Ag7 P Se6 - | - Ag28 P4 Se24 - | 4 | 0.333333 | LC0002 | Evain, M.; Gaudin, E.; Boucher, F.; Petricek, V.; Taulelle, F. | Structures and Phase Transitions of the <i>A</i>~7~PSe~6~ (<i>A</i> = Ag, Cu) Argyrodite-Type Ionic Conductors. I. Ag~7~PSe~6~ | Acta Crystallographica Section B | 1,998 | 54 | 4 | 376 | 383 | 10.1107/S0108768197019654 | 0.5609 | AgK-L~2,3~ | null | 0.0267 | null | null | 0.0266 | null | null | null | null | 0.76 | 0.76 | null | null | null | has coordinates | Evain, M.; Gaudin, E.; Boucher, F.; Petricek, V.; Taulelle, F.
Structures and Phase Transitions of the <i>A</i>~7~PSe~6~ (<i>A</i> = Ag, Cu) Argyrodite-Type Ionic Conductors. I. Ag~7~PSe~6~
Acta Crystallographica Section B
54(4)
(1998)
376-383 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
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2,003,006 | 10.838 | 0.003 | 10.838 | 0.003 | 10.838 | 0.003 | 90 | null | 90 | null | 90 | null | 1,273.1 | 0.6 | 473 | null | 473 | null | null | null | null | null | 3 | F -4 3 m | F -4 2 3 | 216 | - Ag7 P Se6 - | - Ag7.012 P Se6 - | - Ag28.048 P4 Se24 - | 4 | 0.041667 | LC0002 | Evain, M.; Gaudin, E.; Boucher, F.; Petricek, V.; Taulelle, F. | Structures and Phase Transitions of the <i>A</i>~7~PSe~6~ (<i>A</i> = Ag, Cu) Argyrodite-Type Ionic Conductors. I. Ag~7~PSe~6~ | Acta Crystallographica Section B | 1,998 | 54 | 4 | 376 | 383 | 10.1107/S0108768197019654 | 0.5609 | AgK-L~2,3~ | null | 0.0326 | null | null | 0.0372 | null | null | null | null | 1.4 | 1.4 | null | null | null | has coordinates | Evain, M.; Gaudin, E.; Boucher, F.; Petricek, V.; Taulelle, F.
Structures and Phase Transitions of the <i>A</i>~7~PSe~6~ (<i>A</i> = Ag, Cu) Argyrodite-Type Ionic Conductors. I. Ag~7~PSe~6~
Acta Crystallographica Section B
54(4)
(1998)
376-383 | 198,389 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2017-07-04 19:30:49 +0300 (Tue, 04 Jul 2017) $
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2,003,007 | 9.07 | 0.006 | 15 | 0.01 | 6.575 | 0.005 | 90 | null | 90 | null | 106.92 | 0.05 | 855.8 | 1.1 | 300 | null | null | null | null | null | null | null | 4 | P 1 1 21/b | -P 2bc | 14 | thallium dideuterium phosphate | - D2 O4 P Tl - | - D2 O4 P Tl - | - D16 O32 P8 Tl8 - | 8 | 2 | LC0004 | Ríos, Susana; Paulus, Werner; Cousson, Alain; Quilichini, Marguerite; Heger, Gernot | Isotope Effect in TlH~2~PO~4~ and TlD~2~PO~4~ | Acta Crystallographica Section B | 1,998 | 54 | 6 | 790 | 797 | 10.1107/S0108768198005254 | neutron | 0.8308 | neutron | null | 0.04 | null | null | 0.038 | null | null | null | null | 1.2 | 1.2 | null | null | null | has coordinates | Ríos, Susana; Paulus, Werner; Cousson, Alain; Quilichini, Marguerite; Heger, Gernot
Isotope Effect in TlH~2~PO~4~ and TlD~2~PO~4~
Acta Crystallographica Section B
54(6)
(1998)
790-797 | 301,791 | 2025-08-18 | 23:15:22 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,003,008 | 10.386 | 0.001 | 10.386 | 0.001 | 11.742 | 0.002 | 90 | null | 90 | null | 90 | null | 1,266.6 | 0.4 | null | null | 9 | 1 | null | null | null | null | 5 | P 42 21 2 | P 4n 2n | null | - C8 H24 P4 S8 Th - | - C8 H24 P4 S8 Th - | - C16 H48 P8 S16 Th2 - | 2 | 0.25 | Iversen, B. B.; Larsen, F. K.; Pinkerton, A. A.; Martin, A.; Darovsky, A.; Reynolds, P. A. | Accurate charge densities in days ‒ use of synchrotrons, image plates and very low temperatures | Acta Crystallographica, Section B: Structural Science | 1,999 | 55 | 3 | 363 | 374 | 10.1107/s0108768198010398 | 0.5603 | AgKα | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Iversen, B. B.; Larsen, F. K.; Pinkerton, A. A.; Martin, A.; Darovsky, A.; Reynolds, P. A.
Accurate charge densities in days ‒ use of synchrotrons, image plates and very low temperatures
Acta Crystallographica, Section B: Structural Science
55(3)
(1999)
363-374 | 249,482 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,003,009 | 10.42 | 0.004 | 10.42 | 0.004 | 11.784 | 0.008 | 90 | null | 90 | null | 90 | null | 1,279 | 1 | null | null | 28 | 5 | null | null | null | null | 5 | P 42 21 2 | P 4n 2n | null | - C8 H24 P4 S8 Th - | - C8 H24 P4 S8 Th - | - C16 H48 P8 S16 Th2 - | 2 | 0.25 | Iversen, B. B.; Larsen, F. K.; Pinkerton, A. A.; Martin, A.; Darovsky, A.; Reynolds, P. A. | Accurate charge densities in days ‒ use of synchrotrons, image plates and very low temperatures | Acta Crystallographica, Section B: Structural Science | 1,999 | 55 | 3 | 363 | 374 | 10.1107/s0108768198010398 | 0.394 | Synchrotron | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Iversen, B. B.; Larsen, F. K.; Pinkerton, A. A.; Martin, A.; Darovsky, A.; Reynolds, P. A.
Accurate charge densities in days ‒ use of synchrotrons, image plates and very low temperatures
Acta Crystallographica, Section B: Structural Science
55(3)
(1999)
363-374 | 249,482 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2020-03-18 14:50:32 +0200 (Wed, 18 Mar 2020) $
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2,003,010 | 10.42 | 0.004 | 10.42 | 0.004 | 11.784 | 0.008 | 90 | null | 90 | null | 90 | null | 1,279 | 1 | null | null | 28 | 5 | null | null | null | null | 5 | P 42 21 2 | P 4n 2n | null | - C8 H24 P4 S8 Th - | - C8 H24 P4 S8 Th - | - C16 H48 P8 S16 Th2 - | 2 | 0.25 | Iversen, B. B.; Larsen, F. K.; Pinkerton, A. A.; Martin, A.; Darovsky, A.; Reynolds, P. A. | Accurate charge densities in days ‒ use of synchrotrons, image plates and very low temperatures | Acta Crystallographica, Section B: Structural Science | 1,999 | 55 | 3 | 363 | 374 | 10.1107/s0108768198010398 | 0.394 | Synchrotron | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Iversen, B. B.; Larsen, F. K.; Pinkerton, A. A.; Martin, A.; Darovsky, A.; Reynolds, P. A.
Accurate charge densities in days ‒ use of synchrotrons, image plates and very low temperatures
Acta Crystallographica, Section B: Structural Science
55(3)
(1999)
363-374 | 249,482 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2020-03-18 14:50:32 +0200 (Wed, 18 Mar 2020) $
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2,003,011 | 10.386 | 0.001 | 10.386 | 0.001 | 11.742 | 0.002 | 90 | null | 90 | null | 90 | null | 1,266.6 | 0.4 | null | null | null | null | null | null | null | null | 5 | P 42 21 2 | P 4n 2n | null | - C8 H24 P4 S8 Th - | - C8 H24 P4 S8 Th - | - C16 H48 P8 S16 Th2 - | 2 | 0.25 | Iversen, B. B.; Larsen, F. K.; Pinkerton, A. A.; Martin, A.; Darovsky, A.; Reynolds, P. A. | Accurate charge densities in days ‒ use of synchrotrons, image plates and very low temperatures | Acta Crystallographica, Section B: Structural Science | 1,999 | 55 | 3 | 363 | 374 | 10.1107/s0108768198010398 | 0.5603 | AgKα | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Iversen, B. B.; Larsen, F. K.; Pinkerton, A. A.; Martin, A.; Darovsky, A.; Reynolds, P. A.
Accurate charge densities in days ‒ use of synchrotrons, image plates and very low temperatures
Acta Crystallographica, Section B: Structural Science
55(3)
(1999)
363-374 | 249,482 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2020-03-18 14:50:32 +0200 (Wed, 18 Mar 2020) $
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2,003,012 | 12.646 | 0.001 | 12.646 | 0.001 | 3.9551 | 0.0002 | 90 | null | 90 | null | 90 | null | 632.5 | null | 790 | null | null | null | null | null | null | null | 4 | P 4/m b m | -P 4 2ab | 127 | - K Nb5 O15 Pb2 - | - K Nb5 O15 Pb3.1 - | - K2 Nb10 O30 Pb6.2 - | 2 | 0.125 | Sciau, Philippe; Calvarin, Gilbert; Ravez, Jean | Structures des phases paraélectrique et ferroélectrique de Pb~2~KNb~5~O~15~ | Acta Crystallographica Section B | 1,999 | 55 | 4 | 459 | 466 | 10.1107/S0108768198017984 | 1.39217 | CuKβ | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Sciau, Philippe; Calvarin, Gilbert; Ravez, Jean
Structures des phases paraélectrique et ferroélectrique de Pb~2~KNb~5~O~15~
Acta Crystallographica Section B
55(4)
(1999)
459-466 | 277,834 | 2022-09-14 | 16:39:43 | #------------------------------------------------------------------------------
#$Date: 2022-09-14 19:38:48 +0300 (Wed, 14 Sep 2022) $
#$Revision: 277834 $
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4,322,430 | 9.4158 | 0.0003 | 11.418 | 0.0004 | 13.082 | 0.0003 | 66.54 | 0.02 | 73.77 | 0.003 | 84.825 | 0.004 | 1,238.4 | 0.2 | 203 | 2 | 203 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | - C25.5 H36 Cl Er N4 - | - C25.5 H30 Cl Er N4 - | - C51 H60 Cl2 Er2 N8 - | 2 | 1 | Peter W. Roesky; Markus R. Bürgstein | Bridged Aminotroponiminate Complexes of the Lanthanides | Inorganic Chemistry | 1,999 | 38 | 5629 | 5632 | 10.1021/ic990533c | 0.71073 | MoKa | 0.0186 | 0.0177 | null | 0.0499 | 0.0489 | null | null | null | 1.023 | 1.019 | 1.019 | null | null | null | has coordinates,has disorder | Peter W. Roesky; Markus R. Bürgstein
Bridged Aminotroponiminate Complexes of the Lanthanides
Inorganic Chemistry
38
(1999)
5629-5632 | 176,467 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,003,013 | 12.646 | 0.001 | 12.646 | 0.001 | 3.9551 | 0.0002 | 90 | null | 90 | null | 90 | null | 632.5 | null | 790 | null | null | null | null | null | null | null | 4 | P 4/m b m | -P 4 2ab | 127 | - K Nb5 O15 Pb2 - | - K Nb5 O15 Pb3.1 - | - K2 Nb10 O30 Pb6.2 - | 2 | 0.125 | Sciau, Philippe; Calvarin, Gilbert; Ravez, Jean | Structures des phases paraélectrique et ferroélectrique de Pb~2~KNb~5~O~15~ | Acta Crystallographica Section B | 1,999 | 55 | 4 | 459 | 466 | 10.1107/S0108768198017984 | neutron | 1.985 | neutron | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Sciau, Philippe; Calvarin, Gilbert; Ravez, Jean
Structures des phases paraélectrique et ferroélectrique de Pb~2~KNb~5~O~15~
Acta Crystallographica Section B
55(4)
(1999)
459-466 | 277,834 | 2022-09-14 | 16:39:43 | #------------------------------------------------------------------------------
#$Date: 2022-09-14 19:38:48 +0300 (Wed, 14 Sep 2022) $
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2,003,014 | 17.779 | 0.002 | 18.015 | 0.002 | 3.9209 | 0.0004 | 90 | null | 90 | null | 90 | null | 1,255.82 | null | 294 | null | null | null | null | null | null | null | 4 | C m 2 m | C -2 -2 | 38 | - K Nb5 O15 Pb2 - | - K2 Nb5 O15 Pb4 - | - K8 Nb20 O60 Pb16 - | 4 | 0.5 | Sciau, Philippe; Calvarin, Gilbert; Ravez, Jean | Structures des phases paraélectrique et ferroélectrique de Pb~2~KNb~5~O~15~ | Acta Crystallographica Section B | 1,999 | 55 | 4 | 459 | 466 | 10.1107/S0108768198017984 | neutron | 1.985 | neutron | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Sciau, Philippe; Calvarin, Gilbert; Ravez, Jean
Structures des phases paraélectrique et ferroélectrique de Pb~2~KNb~5~O~15~
Acta Crystallographica Section B
55(4)
(1999)
459-466 | 277,834 | 2022-09-14 | 16:39:43 | #------------------------------------------------------------------------------
#$Date: 2022-09-14 19:38:48 +0300 (Wed, 14 Sep 2022) $
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2,003,015 | 17.756 | 0.001 | 18.019 | 0.001 | 3.9141 | 0.0002 | 90 | null | 90 | null | 90 | null | 1,252.3 | null | 81 | null | null | null | null | null | null | null | 4 | C m 2 m | C -2 -2 | 38 | - K Nb5 O15 Pb2 - | - K2 Nb5 O15 Pb4 - | - K8 Nb20 O60 Pb16 - | 4 | 0.5 | Sciau, Philippe; Calvarin, Gilbert; Ravez, Jean | Structures des phases paraélectrique et ferroélectrique de Pb~2~KNb~5~O~15~ | Acta Crystallographica Section B | 1,999 | 55 | 4 | 459 | 466 | 10.1107/S0108768198017984 | 1.39217 | CuKβ | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Sciau, Philippe; Calvarin, Gilbert; Ravez, Jean
Structures des phases paraélectrique et ferroélectrique de Pb~2~KNb~5~O~15~
Acta Crystallographica Section B
55(4)
(1999)
459-466 | 277,834 | 2022-09-14 | 16:39:43 | #------------------------------------------------------------------------------
#$Date: 2022-09-14 19:38:48 +0300 (Wed, 14 Sep 2022) $
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4,322,429 | 12.714 | 0.003 | 32.835 | 0.007 | 16.193 | 0.003 | 90 | null | 110.62 | 0.03 | 90 | null | 6,327 | 3 | 203 | 2 | 203 | 2 | null | null | null | null | 6 | P 1 21/n 1 | -P 2yn | 14 | - C62 H92 Cl2 N8 Nd2 O4 - | - C62 H92 Cl2 N8 Nd2 O4 - | - C248 H368 Cl8 N32 Nd8 O16 - | 4 | 1 | Peter W. Roesky; Markus R. Bürgstein | Bridged Aminotroponiminate Complexes of the Lanthanides | Inorganic Chemistry | 1,999 | 38 | 5629 | 5632 | 10.1021/ic990533c | 0.71073 | MoKa | 0.2459 | 0.0887 | null | 0.2757 | 0.1987 | null | null | null | 0.861 | 1.149 | 1.149 | null | null | null | has coordinates | Peter W. Roesky; Markus R. Bürgstein
Bridged Aminotroponiminate Complexes of the Lanthanides
Inorganic Chemistry
38
(1999)
5629-5632 | 179,327 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,003,016 | 14.005 | 0.008 | 13.697 | 0.006 | 15.755 | 0.008 | 90 | null | 110.88 | 0.03 | 90 | null | 2,824 | 3 | 233 | 2 | 233 | 2 | null | null | null | null | 6 | C 1 2/c 1 | -C 2yc | 15 | - C6 H14 I2 N2 O2 Zn - | - C5.81 H13.43 I2 N2 O2 Zn - | - C46.48 H107.44 I16 N16 O16 Zn8 - | 8 | 1 | MU0321 | Edwards, R. A.; Easteal, A. J.; Gladkikh, O. P.; Robinson, W. T.; Turnbull, M. M.; Wilkins, C. J. | A Reversible Non-disruptive Phase Transition Shown by the Zinc Iodide Dimethylformamide Complex ZnI~2~(dmf)~2~ | Acta Crystallographica Section B | 1,998 | 54 | 5 | 663 | 670 | 10.1107/S0108768198000536 | 0.71073 | MoKα | 0.0766 | 0.049 | null | 0.1183 | 0.1059 | null | null | null | 1.081 | 1.153 | 1.153 | null | null | null | has coordinates,has disorder | Edwards, R. A.; Easteal, A. J.; Gladkikh, O. P.; Robinson, W. T.; Turnbull, M. M.; Wilkins, C. J.
A Reversible Non-disruptive Phase Transition Shown by the Zinc Iodide Dimethylformamide Complex ZnI~2~(dmf)~2~
Acta Crystallographica Section B
54(5)
(1998)
663-670 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,003,017 | 13.819 | 0.003 | 13.543 | 0.003 | 15.559 | 0.005 | 90 | null | 110.29 | 0.02 | 90 | null | 2,731.2 | 1.3 | 131 | 2 | 131 | 2 | null | null | null | null | 6 | P 1 21/n 1 | -P 2yn | 14 | - C6 H14 I2 N2 O2 Zn - | - C6 H14 I2 N2 O2 Zn - | - C48 H112 I16 N16 O16 Zn8 - | 8 | 2 | MU0321 | Edwards, R. A.; Easteal, A. J.; Gladkikh, O. P.; Robinson, W. T.; Turnbull, M. M.; Wilkins, C. J. | A Reversible Non-disruptive Phase Transition Shown by the Zinc Iodide Dimethylformamide Complex ZnI~2~(dmf)~2~ | Acta Crystallographica Section B | 1,998 | 54 | 5 | 663 | 670 | 10.1107/S0108768198000536 | 0.71073 | MoKα | 0.0583 | 0.0389 | null | 0.2139 | 0.1263 | null | null | null | 1.122 | 1.118 | 1.118 | null | null | null | has coordinates | Edwards, R. A.; Easteal, A. J.; Gladkikh, O. P.; Robinson, W. T.; Turnbull, M. M.; Wilkins, C. J.
A Reversible Non-disruptive Phase Transition Shown by the Zinc Iodide Dimethylformamide Complex ZnI~2~(dmf)~2~
Acta Crystallographica Section B
54(5)
(1998)
663-670 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,003,018 | 5.941 | 0.003 | 10.08 | 0.003 | 8.282 | 0.002 | 90 | null | 95.87 | 0.03 | 90 | null | 493.4 | 0.3 | 293 | null | null | null | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | - C4 H6 N2 O2 - | - C4 H6 N2 O2 - | - C16 H24 N8 O8 - | 4 | 1 | MU0323 | Lenstra; Bracke; Van Dijk; Maes; Vanhulle; Desseyn | Net Intensities: Accuracy Improvement Through a Bayesian Perspective on the Measuring Strategy and Their Persistent Lack of Precision. An Illustration | Acta Crystallographica Section B | 1,998 | 54 | 6 | 851 | 858 | 10.1107/S0108768198004637 | 0.71073 | MoKα | null | 0.034 | null | null | 0.037 | null | null | null | null | null | null | null | null | null | has coordinates | Lenstra; Bracke; Van Dijk; Maes; Vanhulle; Desseyn
Net Intensities: Accuracy Improvement Through a Bayesian Perspective on the Measuring Strategy and Their Persistent Lack of Precision. An Illustration
Acta Crystallographica Section B
54(6)
(1998)
851-858 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,003,019 | 7.858 | 0.003 | 14.442 | 0.002 | 16.807 | 0.003 | 90 | null | 92.26 | 0.02 | 90 | null | 1,905.9 | 0.8 | null | null | null | null | null | null | null | null | 4 | P 1 21/m 1 | -P 2yb | 11 | - C21 H15 Bi O6 - | - C42 H30 Bi2 O12 - | - C168 H120 Bi8 O48 - | 4 | 1 | MU0326 | Rae, A. D.; Gainsford, G. J.; Kemmitt, T. | Disordered Structure of Polymeric Bismuth Tribenzoate, [Bi(C~6~H~5~COO)~3~]~<i>n~</i> | Acta Crystallographica Section B | 1,998 | 54 | 4 | 438 | 442 | 10.1107/S0108768197017862 | 0.71073 | MoKα | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Rae, A. D.; Gainsford, G. J.; Kemmitt, T.
Disordered Structure of Polymeric Bismuth Tribenzoate, [Bi(C~6~H~5~COO)~3~]~<i>n~</i>
Acta Crystallographica Section B
54(4)
(1998)
438-442 | 176,432 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,003,020 | 12.532 | null | 12.532 | null | 12.717 | null | 90 | null | 90 | null | 120 | null | 1,729.64 | null | null | null | null | null | null | null | null | null | 3 | R 3 | R 3 | null | - B2 Ba O2 - | - B6 Ba3 O12 - | - B36 Ba18 O72 - | 6 | null | MU0327 | Xue, D. F.; Zhang, S. Y. | Structure and Non-linear Optical Properties of β -Barium Borate | Acta Crystallographica Section B | 1,998 | 54 | 5 | 652 | 656 | 10.1107/S0108768198004649 | 0.71 | MoKα | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Xue, D. F.; Zhang, S. Y.
Structure and Non-linear Optical Properties of β -Barium Borate
Acta Crystallographica Section B
54(5)
(1998)
652-656 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,003,021 | 8.9346 | 0.0001 | 8.9346 | 0.0001 | 8.9346 | 0.0001 | 90 | null | 90 | null | 90 | null | 713.22 | null | null | null | null | null | null | null | null | null | 5 | I -4 3 m | I -4 2 3 | null | - Ca8 Ga8 H8 O32 Si4 - | - Ca8 Ga8.04 H7.92 O32 Si3.96 - | - Ca8 Ga8.04 H7.92 O32 Si3.96 - | 1 | 0.020833 | Binsted, N.; Dann, S.E.; Pack, M.J.; Weller, M.T. | Acta Crystallographica, Section B | 1,998 | 54 | 558 | 563 | neutron | 1.594 | neutron | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Binsted, N.; Dann, S.E.; Pack, M.J.; Weller, M.T.
Acta Crystallographica, Section B
54
(1998)
558-563 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,003,022 | 8.9346 | 0.0002 | 8.9346 | 0.0002 | 8.9346 | 0.0002 | 90 | null | 90 | null | 90 | null | 713.22 | null | null | null | null | null | null | null | null | null | 5 | I -4 | I -4 | null | - Ca8 Ga8 H8 O32 Si4 - | - Ca8 Ga8 H8 O32 Si4 - | - Ca8 Ga8 H8 O32 Si4 - | 1 | 0.125 | Binsted, N.; Dann, S.E.; Pack, M.J.; Weller, M.T. | Acta Crystallographica, Section B | 1,998 | 54 | 558 | 563 | neutron | 1.594 | neutron | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Binsted, N.; Dann, S.E.; Pack, M.J.; Weller, M.T.
Acta Crystallographica, Section B
54
(1998)
558-563 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,003,023 | 8.9345 | 0.0001 | 8.9345 | 0.0001 | 8.9345 | 0.0001 | 90 | null | 90 | null | 90 | null | 713.2 | null | null | null | null | null | null | null | null | null | 5 | I -4 | I -4 | null | - Ca8 Ga8 H8 O32 Si4 - | - Ca8 Ga8 H8 O32 Si4 - | - Ca8 Ga8 H8 O32 Si4 - | 1 | 0.125 | Binsted, N.; Dann, S.E.; Pack, M.J.; Weller, M.T. | Acta Crystallographica, Section B | 1,998 | 54 | 558 | 563 | neutron | 1.594 | neutron | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Binsted, N.; Dann, S.E.; Pack, M.J.; Weller, M.T.
Acta Crystallographica, Section B
54
(1998)
558-563 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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