Crystallography Open Database
Search results
Result: there are 468 entries in the selection
Switch to the old layout of the pageDownload all results as: list of COD numbers | list of CIF URLs | data in CSV format | archive of CIF files (ZIP)
Searching journal of publication like 'Acta Crystallographica, Section B' volume of publication is 58
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 2103397 | CIF Paper | C28 H60 Ga4 S4 | I -4 3 m | 12.209; 12.209; 12.209 90; 90; 90 | 1819.87 | Marsh, Richard E. The space groups of point group <i>C</i>~3~: some corrections, some comments Acta Crystallographica Section B, 2002, 58, 893-899 |
| 2103398 | CIF Paper | C28 H60 Ga4 Se4 | I -4 3 m | 12.346; 12.346; 12.346 90; 90; 90 | 1881.82 | Marsh, Richard E. The space groups of point group <i>C</i>~3~: some corrections, some comments Acta Crystallographica Section B, 2002, 58, 893-899 |
| 2103399 | CIF Paper | C16 H20 Cu F6 O6 | R -3 :H | 24.469; 24.469; 10.581 90; 90; 120 | 5486.43 | Marsh, Richard E. The space groups of point group <i>C</i>~3~: some corrections, some comments Acta Crystallographica Section B, 2002, 58, 893-899 |
| 2103400 | CIF Paper | C12 H36 Bi3 Cl3 N6 O12 | R 3 2 | 8.114; 8.114; 35.96 90; 90; 120 | 2050.31 | Marsh, Richard E. The space groups of point group <i>C</i>~3~: some corrections, some comments Acta Crystallographica Section B, 2002, 58, 893-899 |
| 2103401 | CIF Paper | C18 H74 Cl12 Cr3 Fe N18 O | R 3 2 | 15.445; 15.445; 21.06 90; 90; 120 | 4350.76 | Marsh, Richard E. The space groups of point group <i>C</i>~3~: some corrections, some comments Acta Crystallographica Section B, 2002, 58, 893-899 |
| 2103402 | CIF Paper | C18 H74 Cl12 Co3 Fe N18 O | R 3 2 | 15.346; 15.346; 20.88 90; 90; 120 | 4258.45 | Marsh, Richard E. The space groups of point group <i>C</i>~3~: some corrections, some comments Acta Crystallographica Section B, 2002, 58, 893-899 |
| 2103403 | CIF Paper | C68 H56 Ag Cl N4 O4 P4 | R -3 :H | 14.138; 14.138; 51.536 90; 90; 120 | 8921.08 | Marsh, Richard E. The space groups of point group <i>C</i>~3~: some corrections, some comments Acta Crystallographica Section B, 2002, 58, 893-899 |
| 2103404 | CIF Paper | C27 H33 N3 O13 Ru3 | R 3 2 | 17.436; 17.436; 10.907 90; 90; 120 | 2871.64 | Marsh, Richard E. The space groups of point group <i>C</i>~3~: some corrections, some comments Acta Crystallographica Section B, 2002, 58, 893-899 |
| 2103405 | CIF Paper | C62 H70 N8 O6 | R -3 :R | 28.042; 28.042; 28.042 118.64; 118.64; 118.64 | 6636.45 | Marsh, Richard E. The space groups of point group <i>C</i>~3~: some corrections, some comments Acta Crystallographica Section B, 2002, 58, 893-899 |
| 2103406 | CIF Paper | C26 H56 Au B Cl6 F4 P2 | R -3 m | 11.308; 11.308; 52.56 90; 90; 120 | 5820.46 | Marsh, Richard E. The space groups of point group <i>C</i>~3~: some corrections, some comments Acta Crystallographica Section B, 2002, 58, 893-899 |
| 2103407 | CIF Paper | ? | P 21 21 21 | 12.28593; 8.53351; 8.49385 90; 90; 90 | 890.513 | Nowell, Harriott; Attfield, J. Paul; Cole, Jason C. The use of restraints in Rietveld refinement of molecular compounds; a case study using the crystal structure determination of tryptamine free base Acta Crystallographica Section B, 2002, 58, 835-840 |
| 2103408 | CIF Paper | C7 H9 N O2 S | I 41/a :2 | 18.7407; 18.7407; 9.1004 90; 90; 90 | 3196.2 | Tremayne, Maryjane; Seaton, Colin C.; Glidewell, Christopher Structures of three substituted arenesulfonamides from X-ray powder diffraction data using the differential evolution technique Acta Crystallographica Section B, 2002, 58, 823-834 |
| 2103409 | CIF Paper | C6 H6 N2 O4 S | P 1 21/n 1 | 8.8424; 13.4933; 7.0732 90; 100.466; 90 | 829.89 | Tremayne, Maryjane; Seaton, Colin C.; Glidewell, Christopher Structures of three substituted arenesulfonamides from X-ray powder diffraction data using the differential evolution technique Acta Crystallographica Section B, 2002, 58, 823-834 |
| 2103410 | CIF Paper | C6 H6 N2 O4 S | P 1 21 1 | 7.7169; 8.0514; 7.0334 90; 110.274; 90 | 409.924 | Tremayne, Maryjane; Seaton, Colin C.; Glidewell, Christopher Structures of three substituted arenesulfonamides from X-ray powder diffraction data using the differential evolution technique Acta Crystallographica Section B, 2002, 58, 823-834 |
| 2103411 | CIF Paper | C12 H16 Mo2 N2 O8 | C 1 2/m 1 | 8.178; 14.347; 7.628 90; 100.31; 90 | 880.541 | Herbstein, Frank H.; Hu, Shengzhi; Kapon, Moshe Some errors from the crystallographic literature, some amplifications and a questionable result Acta Crystallographica Section B, 2002, 58, 884-892 |
| 2103412 | CIF Paper | C14 H24 Mo2 N2 O8 | C 1 2/m 1 | 8.091; 15.818; 7.864 90; 103.05; 90 | 980.468 | Herbstein, Frank H.; Hu, Shengzhi; Kapon, Moshe Some errors from the crystallographic literature, some amplifications and a questionable result Acta Crystallographica Section B, 2002, 58, 884-892 |
| 2103413 | CIF Paper | C22 H28 Mo2 N2 O9 | C 1 2/c 1 | 23.2; 8.472; 14.801 90; 118.41; 90 | 2558.78 | Herbstein, Frank H.; Hu, Shengzhi; Kapon, Moshe Some errors from the crystallographic literature, some amplifications and a questionable result Acta Crystallographica Section B, 2002, 58, 884-892 |
| 2103414 | CIF Paper | C36 H40 Br4 N6 O3 V2 | C 1 2/c 1 | 15.804; 16.73; 16.348 90; 110.21; 90 | 4056.31 | Herbstein, Frank H.; Hu, Shengzhi; Kapon, Moshe Some errors from the crystallographic literature, some amplifications and a questionable result Acta Crystallographica Section B, 2002, 58, 884-892 |
| 2103415 | CIF Paper | C23 H24 O | C m c 21 | 19.531; 11.459; 8.067 90; 90; 90 | 1805.44 | Herbstein, Frank H.; Hu, Shengzhi; Kapon, Moshe Some errors from the crystallographic literature, some amplifications and a questionable result Acta Crystallographica Section B, 2002, 58, 884-892 |
| 2103416 | CIF Paper | C24 H28 N2 O | C m c 21 | 21.838; 9.291; 9.647 90; 90; 90 | 1957.35 | Herbstein, Frank H.; Hu, Shengzhi; Kapon, Moshe Some errors from the crystallographic literature, some amplifications and a questionable result Acta Crystallographica Section B, 2002, 58, 884-892 |
| 2103417 | CIF Paper | C12 H18 Cr K N2 O9 | P -1 | 9.674; 12.942; 6.994 99.26; 108.92; 87.4 | 817.529 | Herbstein, Frank H.; Hu, Shengzhi; Kapon, Moshe Some errors from the crystallographic literature, some amplifications and a questionable result Acta Crystallographica Section B, 2002, 58, 884-892 |
| 2103418 | CIF Paper | C48 H48 N4 | P -1 | 9.409; 13.743; 7.519 104.391; 95.457; 93.973 | 933.127 | Herbstein, Frank H.; Hu, Shengzhi; Kapon, Moshe Some errors from the crystallographic literature, some amplifications and a questionable result Acta Crystallographica Section B, 2002, 58, 884-892 |
| 2103419 | CIF Paper | C36 H20 Mn4 O12 S4 | C 1 2/c 1 | 11.529; 22.081; 16.544 90; 108.28; 90 | 3999.1 | Herbstein, Frank H.; Hu, Shengzhi; Kapon, Moshe Some errors from the crystallographic literature, some amplifications and a questionable result Acta Crystallographica Section B, 2002, 58, 884-892 |
| 2103420 | CIF Paper | C24 H18 Cl2 Cu N4 O9 | C 1 2/c 1 | 19.177; 8.199; 16.246 90; 100.1; 90 | 2514.81 | Herbstein, Frank H.; Hu, Shengzhi; Kapon, Moshe Some errors from the crystallographic literature, some amplifications and a questionable result Acta Crystallographica Section B, 2002, 58, 884-892 |
| 2103421 | CIF Paper | C43 H54 N6 Ni O13 | C 1 2/c 1 | 16.854; 15.626; 19.144 90; 114.785; 90 | 4577.36 | Herbstein, Frank H.; Hu, Shengzhi; Kapon, Moshe Some errors from the crystallographic literature, some amplifications and a questionable result Acta Crystallographica Section B, 2002, 58, 884-892 |
| 2103422 | CIF Paper | C60 H42 N8 Ni O10 | C 1 2/c 1 | 13.6359; 24.875; 15.217 90; 99.604; 90 | 5089.16 | Herbstein, Frank H.; Hu, Shengzhi; Kapon, Moshe Some errors from the crystallographic literature, some amplifications and a questionable result Acta Crystallographica Section B, 2002, 58, 884-892 |
| 2103423 | CIF Paper | C18 H12 N10 O14 | P 1 21/a 1 | 23.522; 5.459; 8.781 90; 96.66; 90 | 1119.93 | Herbstein, Frank H.; Hu, Shengzhi; Kapon, Moshe Some errors from the crystallographic literature, some amplifications and a questionable result Acta Crystallographica Section B, 2002, 58, 884-892 |
| 2103424 | CIF Paper | C30 H32 I2 N20 | P 1 21/a 1 | 29.422; 12.304; 5.071 90; 94.06; 90 | 1831.14 | Herbstein, Frank H.; Hu, Shengzhi; Kapon, Moshe Some errors from the crystallographic literature, some amplifications and a questionable result Acta Crystallographica Section B, 2002, 58, 884-892 |
| 2103425 | CIF Paper | C24 H16 Cd Cs N4 S20 | P -1 | 8.982; 20.803; 5.794 90.51; 102.92; 99.65 | 1039.07 | Herbstein, Frank H.; Hu, Shengzhi; Kapon, Moshe Some errors from the crystallographic literature, some amplifications and a questionable result Acta Crystallographica Section B, 2002, 58, 884-892 |
| 2103426 | CIF HKL Paper | C H7 F5 N4 Zr | P n m a | 6.6524; 6.9466; 16.0497 90; 90; 90 | 741.68 | Ross II, C. R.; Bauer, M. R.; Nielson, R. M.; Abrahams, S. C. Aminoguanidinium(1+) pentafluorozirconate: multiple redetermination and comparisons Acta Crystallographica Section B, 2002, 58, 841-848 |
| 2103427 | CIF HKL Paper | C H7 F5 N4 Zr | P n m a | 6.6404; 6.8981; 15.9872 90; 90; 90 | 732.31 | Ross II, C. R.; Bauer, M. R.; Nielson, R. M.; Abrahams, S. C. Aminoguanidinium(1+) pentafluorozirconate: multiple redetermination and comparisons Acta Crystallographica Section B, 2002, 58, 841-848 |
| 2103428 | CIF HKL Paper | C H7 F5 N4 Zr | P n m a | 6.6485; 6.934; 16.0344 90; 90; 90 | 739.2 | Ross II, C. R.; Bauer, M. R.; Nielson, R. M.; Abrahams, S. C. Aminoguanidinium(1+) pentafluorozirconate: multiple redetermination and comparisons Acta Crystallographica Section B, 2002, 58, 841-848 |
| 2103429 | CIF HKL Paper | C9 H16 O3 | P -1 | 6.035; 8.39; 9.389 84.29; 76.37; 77.95 | 451.2 | Kálmán, Alajos; Fábián, László; Argay, Gyula; Bernáth, Gábor; Gyarmati, Zsuzsanna Predictable close-packing similarities between <i>cis</i>- and <i>trans</i>-2-hydroxy-1-cyclooctanecarboxylic acids and <i>trans</i>-2-hydroxy-1-cyclooctanecarboxamide Acta Crystallographica Section B, 2002, 58, 855-863 |
| 2103430 | CIF HKL Paper | C9 H17 N O2 | P -1 | 6.76; 7.314; 11.217 79.22; 74.12; 69.45 | 496.93 | Kálmán, Alajos; Fábián, László; Argay, Gyula; Bernáth, Gábor; Gyarmati, Zsuzsanna Predictable close-packing similarities between <i>cis</i>- and <i>trans</i>-2-hydroxy-1-cyclooctanecarboxylic acids and <i>trans</i>-2-hydroxy-1-cyclooctanecarboxamide Acta Crystallographica Section B, 2002, 58, 855-863 |
| 2103431 | CIF HKL Paper | C9 H16 O3 | P 1 21/c 1 | 11.082; 7.618; 11.579 90; 105.67; 90 | 941.2 | Kálmán, Alajos; Fábián, László; Argay, Gyula; Bernáth, Gábor; Gyarmati, Zsuzsanna Predictable close-packing similarities between <i>cis</i>- and <i>trans</i>-2-hydroxy-1-cyclooctanecarboxylic acids and <i>trans</i>-2-hydroxy-1-cyclooctanecarboxamide Acta Crystallographica Section B, 2002, 58, 855-863 |
| 2103432 | CIF Paper | H8 O16 P4 Tl4 | P -1 | 8.997; 14.866; 6.499 92.03; 89.92; 107.01 | 830.7 | Álvarez-Otero, E.; Madariaga, G.; Peral, I.; Folcia, C. L.; Ríos, S. Structural study of the low-temperature phase of TlH~2~PO~4~ at 180K Acta Crystallographica Section B, 2002, 58, 750-759 |
| 2103433 | CIF Paper | H8 O16 P4 Tl4 | P -1 | 8.997; 14.866; 6.499 92.03; 89.92; 107.01 | 830.7 | Álvarez-Otero, E.; Madariaga, G.; Peral, I.; Folcia, C. L.; Ríos, S. Structural study of the low-temperature phase of TlH~2~PO~4~ at 180K Acta Crystallographica Section B, 2002, 58, 750-759 |
| 2103434 | CIF HKL Paper | C14 H17 Fe N O4 | C 1 2/c 1 | 30.9616; 7.8147; 12.1521 90; 109.709; 90 | 2768.02 | Zakaria, Choudhury M.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher Ferrocene-1,1'-dicarboxylic acid as a building block in supramolecular chemistry: supramolecular structures in one, two and three dimensions Acta Crystallographica Section B, 2002, 58, 786-802 |
| 2103435 | CIF HKL Paper | C18 H22 Fe N2 O4 | P -1 | 7.4666; 10.7846; 11.3184 104.897; 99.153; 105.238 | 824.32 | Zakaria, Choudhury M.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher Ferrocene-1,1'-dicarboxylic acid as a building block in supramolecular chemistry: supramolecular structures in one, two and three dimensions Acta Crystallographica Section B, 2002, 58, 786-802 |
| 2103436 | CIF HKL Paper | C20 H30 Fe N2 O7 | P 1 21/c 1 | 7.4018; 9.2018; 30.3884 90; 101.063; 90 | 2031.29 | Zakaria, Choudhury M.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher Ferrocene-1,1'-dicarboxylic acid as a building block in supramolecular chemistry: supramolecular structures in one, two and three dimensions Acta Crystallographica Section B, 2002, 58, 786-802 |
| 2103437 | CIF HKL Paper | C22 H18 Fe N2 O4 | P -1 | 6.95; 10.7645; 12.526 97.878; 92.096; 102.998 | 902.27 | Zakaria, Choudhury M.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher Ferrocene-1,1'-dicarboxylic acid as a building block in supramolecular chemistry: supramolecular structures in one, two and three dimensions Acta Crystallographica Section B, 2002, 58, 786-802 |
| 2103438 | CIF HKL Paper | C28 H48 Fe N2 O4 | P -1 | 6.349; 9.6089; 12.1674 98.738; 100.38; 91.229 | 720.76 | Zakaria, Choudhury M.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher Ferrocene-1,1'-dicarboxylic acid as a building block in supramolecular chemistry: supramolecular structures in one, two and three dimensions Acta Crystallographica Section B, 2002, 58, 786-802 |
| 2103439 | CIF HKL Paper | C17 H21 Fe N O4 | P 1 21/c 1 | 5.988; 19.475; 13.434 90; 99.058; 90 | 1547.09 | Zakaria, Choudhury M.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher Ferrocene-1,1'-dicarboxylic acid as a building block in supramolecular chemistry: supramolecular structures in one, two and three dimensions Acta Crystallographica Section B, 2002, 58, 786-802 |
| 2103440 | CIF HKL Paper | C52 H74 Fe2 N2 O9 | P -1 | 10.3588; 11.9612; 22.7731 74.969; 78.066; 64.459 | 2444.18 | Zakaria, Choudhury M.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher Ferrocene-1,1'-dicarboxylic acid as a building block in supramolecular chemistry: supramolecular structures in one, two and three dimensions Acta Crystallographica Section B, 2002, 58, 786-802 |
| 2103441 | CIF HKL Paper | C48 H66 Fe3 N8 O12 | P -1 | 9.736; 13.661; 22.855 97.51; 99.09; 91.11 | 2973.4 | Zakaria, Choudhury M.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher Ferrocene-1,1'-dicarboxylic acid as a building block in supramolecular chemistry: supramolecular structures in one, two and three dimensions Acta Crystallographica Section B, 2002, 58, 786-802 |
| 2103442 | CIF HKL Paper | C28 H32 Fe N2 O6 | P -1 | 12.6828; 13.2119; 14.3107 64.487; 68.446; 72.255 | 1981.88 | Zakaria, Choudhury M.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher Ferrocene-1,1'-dicarboxylic acid as a building block in supramolecular chemistry: supramolecular structures in one, two and three dimensions Acta Crystallographica Section B, 2002, 58, 786-802 |
| 2103443 | CIF HKL Paper | C13 H9 I N2 O2 | P 1 21/n 1 | 8.0664; 10.7191; 14.5692 90; 99.026; 90 | 1244.12 | Glidewell, Christopher; Howie, R. Alan; Low, John N.; Skakle, Janet M. S.; Wardell, Solange M. S. V.; Wardell, James L. Nine isomeric nitrobenzylidene-iodoanilines: interplay of C—H···O hydrogen bonds, iodo···nitro interactions and aromatic π···π stacking interactions Acta Crystallographica Section B, 2002, 58, 864-876 |
| 2103444 | CIF HKL Paper | C13 H9 I N2 O2 | P 1 21/c 1 | 7.9059; 22.623; 7.6095 90; 113.755; 90 | 1245.69 | Glidewell, Christopher; Howie, R. Alan; Low, John N.; Skakle, Janet M. S.; Wardell, Solange M. S. V.; Wardell, James L. Nine isomeric nitrobenzylidene-iodoanilines: interplay of C—H···O hydrogen bonds, iodo···nitro interactions and aromatic π···π stacking interactions Acta Crystallographica Section B, 2002, 58, 864-876 |
| 2103445 | CIF HKL Paper | C13 H9 I N2 O2 | P 1 21/c 1 | 10.1401; 13.7454; 9.7829 90; 113.961; 90 | 1246.03 | Glidewell, Christopher; Howie, R. Alan; Low, John N.; Skakle, Janet M. S.; Wardell, Solange M. S. V.; Wardell, James L. Nine isomeric nitrobenzylidene-iodoanilines: interplay of C—H···O hydrogen bonds, iodo···nitro interactions and aromatic π···π stacking interactions Acta Crystallographica Section B, 2002, 58, 864-876 |
| 2103446 | CIF HKL Paper | C13 H9 I N2 O2 | P 1 21/c 1 | 12.0589; 4.5562; 22.9725 90; 97.397; 90 | 1251.67 | Glidewell, Christopher; Howie, R. Alan; Low, John N.; Skakle, Janet M. S.; Wardell, Solange M. S. V.; Wardell, James L. Nine isomeric nitrobenzylidene-iodoanilines: interplay of C—H···O hydrogen bonds, iodo···nitro interactions and aromatic π···π stacking interactions Acta Crystallographica Section B, 2002, 58, 864-876 |
Back to the search form
Your own data is not in the COD? Deposit it, thanks!