Crystallography Open Database
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Result: there are 173 entries in the selection
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Searching journal of publication like 'Acta Crystallographica Section B' volume of publication is 67
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 2104960 | CIF HKL Paper | C28 H16 O2 | P 1 21/n 1 | 9.7119; 7.041; 11.2282 90; 110.229; 90 | 720.4 | Johnstone, Russell D. L.; Allan, David; Lennie, Alistair; Pidcock, Elna; Valiente, Rafael; Rodríguez, Fernando; Gonzalez, Jesús; Warren, John; Parsons, Simon The effect of pressure on the crystal structure of bianthrone Acta Crystallographica Section B, 2011, 67, 226-237 |
| 2104961 | CIF HKL Paper | C18 H8 Br4 O2 S8 | P 1 21/n 1 | 10.3653; 11.7998; 11.0749 90; 110.217; 90 | 1271.1 | García-Orduña, Pilar; Dahaoui, Slimane; Lecomte, Claude Intermolecular interactions and charge transfer in the 2:1 tetrathiafulvalene bromanil complex, (TTF)~2~-BA Acta Crystallographica Section B, 2011, 67, 244-249 |
| 2104962 | CIF HKL Paper | C18 H8 Br4 O2 S8 | P 1 21/n 1 | 10.2781; 11.5982; 11.0418 90; 110.434; 90 | 1233.44 | García-Orduña, Pilar; Dahaoui, Slimane; Lecomte, Claude Intermolecular interactions and charge transfer in the 2:1 tetrathiafulvalene bromanil complex, (TTF)~2~-BA Acta Crystallographica Section B, 2011, 67, 244-249 |
| 2104963 | CIF HKL Paper | C18 H8 Br4 O2 S8 | P 1 21/n 1 | 10.2507; 11.5276; 10.9799 90; 110.446; 90 | 1215.71 | García-Orduña, Pilar; Dahaoui, Slimane; Lecomte, Claude Intermolecular interactions and charge transfer in the 2:1 tetrathiafulvalene bromanil complex, (TTF)~2~-BA Acta Crystallographica Section B, 2011, 67, 244-249 |
| 2104964 | CIF Paper | Na O3 Ti1.25 | C 1 2/m 1 | 21.555; 3.7583; 11.926 90; 136.14; 90 | 669.4 | Andrusenko, Iryna; Mugnaioli, Enrico; Gorelik, Tatiana E.; Koll, Dominik; Panthöfer, Martin; Tremel, Wolfgang; Kolb, Ute Structure analysis of titanate nanorods by automated electron diffraction tomography Acta Crystallographica Section B, 2011, 67, 218-225 |
| 2104965 | CIF HKL Paper | Al14 Ca12 O33 | I -4 3 d | 11.989; 11.989; 11.989 90; 90; 90 | 1723.3 | Sakakura, Terutoshi; Tanaka, Kiyoaki; Takenaka, Yasuyuki; Matsuishi, Satoru; Hosono, Hideo; Kishimoto, Shunji Determination of the local structure of a cage with an oxygen ion in Ca~12~Al~14~O~33~ Acta Crystallographica Section B, 2011, 67, 193-204 |
| 2104966 | CIF HKL Paper | C8 H8 N2 O2 | P -1 | 5.7913; 8.2458; 8.9223 116.823; 104.589; 91.602 | 362.99 | Zarychta, Bartosz; Zaleski, Jacek; Kyzioł, Janusz; Daszkiewicz, Zdzisław; Jelsch, Christian Charge-density analysis of 1-nitroindoline: refinement quality using free <i>R</i> factors and restraints Acta Crystallographica Section B, 2011, 67, 250-262 |
| 2104967 | CIF HKL Paper | C15 H24 N3 O3 P | P 1 21/n 1 | 9.517; 10.723; 32.993 90; 96.029; 90 | 3348.3 | Gholivand, Khodayar; Mahzouni, Hamid Reza Solid-state and gas-phase structures of two conformers of <i>N</i>-(4-methylphenyl)-<i>N</i>',<i>N</i>''-bis(morpholinyl) phosphoric triamide; insights from X-ray crystallography and DFT calculations Acta Crystallographica Section B, 2011, 67, 238-243 |
| 2104968 | CIF Paper | C84 H106 B2 Co2 N4 O10 | C 1 2/c 1 | 22.8118; 19.2667; 17.3077 90; 96.176; 90 | 7562.7 | Deutsch, Maxime; Claiser, Nicolas; Gillet, Jean-Michel; Lecomte, Claude; Sakiyama, Hiroshi; Tone, Katsuya; Souhassou, Mohamed <i>d</i>-Orbital orientation in a dimer cobalt complex: link to magnetic properties? Acta Crystallographica Section B, 2011, 67, 324-332 |
| 2104969 | CIF HKL Paper | C20 H30 N2 O4 Sn2 | P b c a | 13.0745; 12.9669; 13.6824 90; 90; 90 | 2319.66 | Korlyukov, Alexander A.; Khrustalev, Victor N.; Vologzhanina, Anna V.; Lyssenko, Konstantin A.; Nechaev, Mikhail. S.; Antipin, Mikhail Yu. Bis(μ^2^-2-(dimethylamino)ethoxo-<i>N</i>,<i>O</i>,<i>O</i>)-di(phenolato-<i>O</i>)ditin(II): a high-resolution single-crystal X-ray diffraction and quantum chemical study Acta Crystallographica Section B, 2011, 67, 315-323 |
| 2104970 | CIF HKL Paper | C10 H10 N4 O2 | P 1 21/c 1 | 11.0299; 10.0921; 18.6365 90; 97.238; 90 | 2057.99 | Paul, Agnieszka; Kubicki, Maciej; Jelsch, Christian; Durand, Pierrick; Lecomte, Claude <i>R</i>-free factor and experimental charge-density analysis of 1-(2'-aminophenyl)-2-methyl-4-nitroimidazole: a crystal structure with <i>Z</i>' = 2 Acta Crystallographica Section B, 2011, 67, 365-378 |
| 2104971 | CIF HKL Paper | C3 H5 Cl O S | P 1 21/c 1 | 9.4763; 5.8288; 11.0764 90; 112.853; 90 | 563.79 | Rodríguez Pirani, Lucas; Erben, Mauricio F.; Boese, Roland; Pozzi, C. Gustavo; Fantoni, Adolfo C.; Della Védova, Carlos O. Conformational preference of chlorothioformate species: molecular structure of ethyl chlorothioformate, ClC(O)SCH~2~CH~3~, in the solid phase and NBO analysis Acta Crystallographica Section B, 2011, 67, 350-356 |
| 2104972 | CIF HKL Paper | Ca H1.25 O4.625 Se | P 32 2 1 | 14.1681; 14.1681; 13.4241 90; 90; 120 | 2333.67 | Fritz, Susanne; Schmidt, Horst; Paschke, Iris; Magdysyuk, Oxana V.; Dinnebier, Robert E.; Freyer, Daniela; Voigt, Wolfgang CaSeO~4~·0.625H~2~O ‒ water channel occupation in a bassanite related structure Acta Crystallographica Section B, 2011, 67, 293-301 |
| 2104973 | CIF Paper | Ca H1.25 O4.625 Se | P 32 2 1 | 14.1035; 14.1035; 13.3622 90; 90; 120 | 2301.8 | Fritz, Susanne; Schmidt, Horst; Paschke, Iris; Magdysyuk, Oxana V.; Dinnebier, Robert E.; Freyer, Daniela; Voigt, Wolfgang CaSeO~4~·0.625H~2~O ‒ water channel occupation in a bassanite related structure Acta Crystallographica Section B, 2011, 67, 293-301 |
| 2104974 | CIF HKL Paper | C7 H4 Cl2 O | P 1 21/c 1 | 3.7888; 13.7784; 13.0368 90; 90.979; 90 | 680.47 | Solanko, Katarzyna A.; Bond, Andrew D. Intermolecular interactions and unexpected isostructurality in the crystal structures of the dichlorobenzaldehyde isomers Acta Crystallographica Section B, 2011, 67, 437-445 |
| 2104975 | CIF HKL Paper | C7 H4 Cl2 O | P -1 | 3.815; 7.829; 17.895 89.091; 85.728; 81.115 | 526.6 | Solanko, Katarzyna A.; Bond, Andrew D. Intermolecular interactions and unexpected isostructurality in the crystal structures of the dichlorobenzaldehyde isomers Acta Crystallographica Section B, 2011, 67, 437-445 |
| 2104976 | CIF HKL Paper | C7 H4 Cl2 O | P 1 21 1 | 3.8094; 14.8887; 6.2014 90; 91.849; 90 | 351.54 | Solanko, Katarzyna A.; Bond, Andrew D. Intermolecular interactions and unexpected isostructurality in the crystal structures of the dichlorobenzaldehyde isomers Acta Crystallographica Section B, 2011, 67, 437-445 |
| 2104977 | CIF HKL Paper | C7 H4 Cl2 O | P 1 21/n 1 | 3.7785; 31.353; 12.058 90; 91.546; 90 | 1428 | Solanko, Katarzyna A.; Bond, Andrew D. Intermolecular interactions and unexpected isostructurality in the crystal structures of the dichlorobenzaldehyde isomers Acta Crystallographica Section B, 2011, 67, 437-445 |
| 2104978 | CIF Paper | C6 H4 S2 Tl2 | P -1 | 6.5525; 6.8444; 9.5265 71.798; 85.988; 89.219 | 404.86 | Stone, Kevin H.; Turner, Dayna L.; Singh, Mayank Pratap; Vaid, Thomas P.; Stephens, Peter W. Hidden superlattice in Tl~2~(SC~6~H~4~S) and Tl~2~(SeC~6~H~4~Se) solved from powder X-ray diffraction Acta Crystallographica Section B, 2011, 67, 409-415 |
| 2104979 | CIF Paper | C6 H4 Se2 Tl2 | P -1 | 6.67438; 6.84998; 9.82649 72.513; 84.79; 88.659 | 426.725 | Stone, Kevin H.; Turner, Dayna L.; Singh, Mayank Pratap; Vaid, Thomas P.; Stephens, Peter W. Hidden superlattice in Tl~2~(SC~6~H~4~S) and Tl~2~(SeC~6~H~4~Se) solved from powder X-ray diffraction Acta Crystallographica Section B, 2011, 67, 409-415 |
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