Crystallography Open Database
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Searching journal of publication like 'Acta Crystallographica Section B'
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 2108132 | CIF HKL | C7 H6 O2 S | P -1 | 3.863; 6.0337; 14.4721 91.302; 93.062; 92.925 | 336.29 | Pavan, Mysore. S; Sarkar, Sounak; Row, Tayur N. Guru Exploring the rare S—H···S hydrogen bond using charge density analysis in isomers of mercaptobenzoic acid Acta Crystallographica Section B, 2017, 73, 626-633 |
| 2108133 | CIF HKL Paper | C18 H12 N6 Ni S4 | P -1 | 7.446; 8.8942; 9.2799 114.992; 94.904; 108.68 | 509.94 | Chuang, Yu-Chun; Sheu, Chou-Fu; Lee, Gene-Hsiang; Chen, Yu-Sheng; Wang, Yu Charge density studies of 3<i>d</i> metal (Ni/Cu) complexes with a non-innocent ligand Acta Crystallographica Section B, 2017, 73, 634-642 |
| 2108134 | CIF HKL | C13 H6 N5 Ni S4 | P 1 21/c 1 | 16.1805; 6.3567; 17.0872 90; 116.837; 90 | 1568.2 | Chuang, Yu-Chun; Sheu, Chou-Fu; Lee, Gene-Hsiang; Chen, Yu-Sheng; Wang, Yu Charge density studies of 3<i>d</i> metal (Ni/Cu) complexes with a non-innocent ligand Acta Crystallographica Section B, 2017, 73, 634-642 |
| 2108135 | CIF HKL | C18 H12 Cu N6 S4 | P -1 | 7.5458; 9.0111; 9.2574 115.334; 95.223; 108.563 | 520.01 | Chuang, Yu-Chun; Sheu, Chou-Fu; Lee, Gene-Hsiang; Chen, Yu-Sheng; Wang, Yu Charge density studies of 3<i>d</i> metal (Ni/Cu) complexes with a non-innocent ligand Acta Crystallographica Section B, 2017, 73, 634-642 |
| 2108136 | CIF HKL | C13 H6 Cu N5 S4 | P 1 21/c 1 | 17.418; 6.1838; 18.165 90; 126.93; 90 | 1564 | Chuang, Yu-Chun; Sheu, Chou-Fu; Lee, Gene-Hsiang; Chen, Yu-Sheng; Wang, Yu Charge density studies of 3<i>d</i> metal (Ni/Cu) complexes with a non-innocent ligand Acta Crystallographica Section B, 2017, 73, 634-642 |
| 2108137 | CIF HKL | C18 H12 N6 Ni S4 | P -1 | 7.4307; 8.9072; 9.2445 115.167; 94.727; 108.525 | 507.94 | Chuang, Yu-Chun; Sheu, Chou-Fu; Lee, Gene-Hsiang; Chen, Yu-Sheng; Wang, Yu Charge density studies of 3<i>d</i> metal (Ni/Cu) complexes with a non-innocent ligand Acta Crystallographica Section B, 2017, 73, 634-642 |
| 2108138 | CIF HKL | C13 H6 N5 Ni S4 | P 1 21/c 1 | 16.0654; 6.3464; 17.0333 90; 116.606; 90 | 1552.77 | Chuang, Yu-Chun; Sheu, Chou-Fu; Lee, Gene-Hsiang; Chen, Yu-Sheng; Wang, Yu Charge density studies of 3<i>d</i> metal (Ni/Cu) complexes with a non-innocent ligand Acta Crystallographica Section B, 2017, 73, 634-642 |
| 2108139 | CIF HKL Paper | C13 H15 Co N2 O7 | P 1 21/c 1 | 12.655; 7.6693; 15.934 90; 106.636; 90 | 1481.7 | Cox, Jordan M.; Walton, Ian M.; Bateman, Gage; Benson, Cassidy A.; Mitchell, Travis; Sylvester, Eric; Chen, Yu-Sheng; Benedict, Jason B. Solvent exchange in a metal‒organic framework single crystal monitored by dynamic <i>in situ</i> X-ray diffraction Acta Crystallographica Section B, 2017, 73, 669-674 |
| 2108140 | CIF HKL | C15 H17 Co N2 O6 | P 1 21/c 1 | 12.899; 7.638; 16.085 90; 108.337; 90 | 1504 | Cox, Jordan M.; Walton, Ian M.; Bateman, Gage; Benson, Cassidy A.; Mitchell, Travis; Sylvester, Eric; Chen, Yu-Sheng; Benedict, Jason B. Solvent exchange in a metal‒organic framework single crystal monitored by dynamic <i>in situ</i> X-ray diffraction Acta Crystallographica Section B, 2017, 73, 669-674 |
| 2108141 | CIF HKL | C15 H15 Co N2 O5 | P 1 21/c 1 | 12.631; 7.5996; 16.109 90; 109.223; 90 | 1460.1 | Cox, Jordan M.; Walton, Ian M.; Bateman, Gage; Benson, Cassidy A.; Mitchell, Travis; Sylvester, Eric; Chen, Yu-Sheng; Benedict, Jason B. Solvent exchange in a metal‒organic framework single crystal monitored by dynamic <i>in situ</i> X-ray diffraction Acta Crystallographica Section B, 2017, 73, 669-674 |
| 2108142 | CIF Paper | Al2 Mg3 O12 Si3 | I a -3 d | 11.4405; 11.4405; 11.4405 90; 90; 90 | 1497.39 | Destro, Riccardo; Ruffo, Riccardo; Roversi, Pietro; Soave, Raffaella; Loconte, Laura; Lo Presti, Leonardo Anharmonic motions <i>versus</i> dynamic disorder at the Mg ion from the charge densities in pyrope (Mg~3~Al~2~Si~3~O~12~) crystals at 30K: six of one, half a dozen of the other Acta Crystallographica Section B, 2017, 73, 722-736 |
| 2108143 | CIF HKL Paper | C28 H38 N4 O4 S2 | P 1 21/a 1 | 9.34; 19.482; 8.634 90; 115.13; 90 | 1422.35 | Voufack, Ariste Bolivard; Claiser, Nicolas; Lecomte, Claude; Pillet, Sébastien; Pontillon, Yves; Gillon, Béatrice; Yan, Zeyin; Gillet, Jean-Michel; Marazzi, Marco; Genoni, Alessandro; Souhassou, Mohamed When combined X-ray and polarized neutron diffraction data challenge high-level calculations: spin-resolved electron density of an organic radical Acta Crystallographica Section B, 2017, 73, 544-549 |
| 2108144 | CIF | C16 H10 O2 | P 1 21/n 1 | 8.8423; 12.2033; 9.1817 90; 92.78; 90 | 989.59 | Casati, Nicola; Genoni, Alessandro; Meyer, Benjamin; Krawczuk, Anna; Macchi, Piero Exploring charge density analysis in crystals at high pressure: data collection, data analysis and advanced modelling Acta Crystallographica Section B, 2017, 73, 584-597 |
| 2108145 | CIF | C16 H10 O2 | P 1 21/n 1 | 8.7168; 11.8642; 8.8601 90; 92.569; 90 | 915.37 | Casati, Nicola; Genoni, Alessandro; Meyer, Benjamin; Krawczuk, Anna; Macchi, Piero Exploring charge density analysis in crystals at high pressure: data collection, data analysis and advanced modelling Acta Crystallographica Section B, 2017, 73, 584-597 |
| 2108146 | CIF | C16 H10 O2 | P 1 21/n 1 | 8.6563; 11.7038; 8.714 90; 92.652; 90 | 881.88 | Casati, Nicola; Genoni, Alessandro; Meyer, Benjamin; Krawczuk, Anna; Macchi, Piero Exploring charge density analysis in crystals at high pressure: data collection, data analysis and advanced modelling Acta Crystallographica Section B, 2017, 73, 584-597 |
| 2108147 | CIF | C16 H10 O2 | P 1 21/n 1 | 8.5923; 11.5463; 8.584 90; 92.826; 90 | 850.58 | Casati, Nicola; Genoni, Alessandro; Meyer, Benjamin; Krawczuk, Anna; Macchi, Piero Exploring charge density analysis in crystals at high pressure: data collection, data analysis and advanced modelling Acta Crystallographica Section B, 2017, 73, 584-597 |
| 2108148 | CIF | C16 H10 O2 | P 1 21/n 1 | 8.5652; 11.4704; 8.5109 90; 92.95; 90 | 835.06 | Casati, Nicola; Genoni, Alessandro; Meyer, Benjamin; Krawczuk, Anna; Macchi, Piero Exploring charge density analysis in crystals at high pressure: data collection, data analysis and advanced modelling Acta Crystallographica Section B, 2017, 73, 584-597 |
| 2108149 | CIF | C16 H10 O2 | P 1 21/n 1 | 8.6187; 11.5861; 8.6105 90; 92.788; 90 | 858.8 | Casati, Nicola; Genoni, Alessandro; Meyer, Benjamin; Krawczuk, Anna; Macchi, Piero Exploring charge density analysis in crystals at high pressure: data collection, data analysis and advanced modelling Acta Crystallographica Section B, 2017, 73, 584-597 |
| 2108150 | CIF Paper | C9 H12 K N2 O9 P | P 21 21 21 | 8.063; 10.4358; 16.0092 90; 90; 90 | 1347.08 | Jarzembska, Katarzyna N.; Ślepokura, Katarzyna; Kamiński, Radosław; Gutmann, Matthias J.; Dominiak, Paulina M.; Woźniak, Krzysztof Multi-temperature study of potassium uridine-5'-monophosphate: electron density distribution and anharmonic motion modelling Acta Crystallographica Section B, 2017, 73, 550-564 |
| 2108151 | CIF | C9 H12 K N2 O9 P | P 21 21 21 | 8.0754; 10.387; 16 90; 90; 90 | 1342.1 | Jarzembska, Katarzyna N.; Ślepokura, Katarzyna; Kamiński, Radosław; Gutmann, Matthias J.; Dominiak, Paulina M.; Woźniak, Krzysztof Multi-temperature study of potassium uridine-5'-monophosphate: electron density distribution and anharmonic motion modelling Acta Crystallographica Section B, 2017, 73, 550-564 |
| 2108152 | CIF | C9 H12 K N2 O9 P | P 21 21 21 | 8.0778; 10.4023; 16.0137 90; 90; 90 | 1345.59 | Jarzembska, Katarzyna N.; Ślepokura, Katarzyna; Kamiński, Radosław; Gutmann, Matthias J.; Dominiak, Paulina M.; Woźniak, Krzysztof Multi-temperature study of potassium uridine-5'-monophosphate: electron density distribution and anharmonic motion modelling Acta Crystallographica Section B, 2017, 73, 550-564 |
| 2108153 | CIF | C9 H12 K N2 O9 P | P 21 21 21 | 8.067; 10.4871; 16.0561 90; 90; 90 | 1358.34 | Jarzembska, Katarzyna N.; Ślepokura, Katarzyna; Kamiński, Radosław; Gutmann, Matthias J.; Dominiak, Paulina M.; Woźniak, Krzysztof Multi-temperature study of potassium uridine-5'-monophosphate: electron density distribution and anharmonic motion modelling Acta Crystallographica Section B, 2017, 73, 550-564 |
| 2108154 | CIF | C9 H12 K N2 O9 P | P 21 21 21 | 8.0835; 10.5221; 16.0738 90; 90; 90 | 1367.16 | Jarzembska, Katarzyna N.; Ślepokura, Katarzyna; Kamiński, Radosław; Gutmann, Matthias J.; Dominiak, Paulina M.; Woźniak, Krzysztof Multi-temperature study of potassium uridine-5'-monophosphate: electron density distribution and anharmonic motion modelling Acta Crystallographica Section B, 2017, 73, 550-564 |
| 2108155 | CIF | C13 H9 N O5 | P 21 21 21 | 5.6052; 8.5753; 22.881 90; 90; 90 | 1099.8 | Goel, Sahil; Yadav, Harsh; Sinha, Nidhi; Singh, Budhendra; Bdikin, Igor; Kumar, Binay X-ray, dielectric, piezoelectric and optical analyses of a new nonlinear optical 8-hydroxyquinolinium hydrogen squarate crystal Acta Crystallographica Section B, 2018, 74, 12-23 |
| 2108156 | CIF HKL | Cu3 H4 O8 Te | C m c m | 2.93172; 11.8414; 8.6047 90; 90; 90 | 298.72 | Missen, O. P.; Mills, S. J.; Welch, M. D.; Spratt, J.; Rumsey, M. S.; Birch, W. D.; Brugger, J. The crystal structure of cesbronite, Cu~3~TeO~4~(OH)~4~: a novel sheet tellurate topology Acta Crystallographica Section B, 2018, 74, 24-31 |
| 2108157 | CIF HKL | K Mn2 O10 V3 | P -1 | 6.912; 6.993; 9.656 101.858; 102.627; 100.669 | 432.6 | Yakubovich, Olga; Shvanskaya, Larisa; Pchelkina, Zlata; Dimitrova, Olga; Volkov, Anatoliy; Volkova, Olga; Vasiliev, Alexander A novel representative in the rare family of trivanadates, KMn~2~V~3~O~10~: synthesis, crystal structure and magnetic properties Acta Crystallographica Section B, 2018, 74, 97-103 |
| 2108158 | CIF | H3 O4 P | P 1 21/c 1 | 5.707; 4.82; 11.436 90; 94.75; 90 | 313.5 | Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R. A new high-pressure polymorph of phosphoric acid Acta Crystallographica Section B, 2017, 73, 1068-1074 |
| 2108159 | CIF | H3 O4 P | P 21 21 21 | 4.619; 8.479; 14.38 90; 90; 90 | 563.2 | Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R. A new high-pressure polymorph of phosphoric acid Acta Crystallographica Section B, 2017, 73, 1068-1074 |
| 2108160 | CIF | D3 O4 P | P 1 21/c 1 | 5.7493; 4.83921; 11.617 90; 95.15; 90 | 321.9 | Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R. A new high-pressure polymorph of phosphoric acid Acta Crystallographica Section B, 2017, 73, 1068-1074 |
| 2108161 | CIF | D3 O4 P | P 1 21/c 1 | 5.6927; 4.81609; 11.4468 90; 94.704; 90 | 312.77 | Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R. A new high-pressure polymorph of phosphoric acid Acta Crystallographica Section B, 2017, 73, 1068-1074 |
| 2108162 | CIF | D3 O4 P | P 1 21/c 1 | 5.6334; 4.78996; 11.3055 90; 94.255; 90 | 304.22 | Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R. A new high-pressure polymorph of phosphoric acid Acta Crystallographica Section B, 2017, 73, 1068-1074 |
| 2108163 | CIF | D3 O4 P | P 1 21/c 1 | 5.5686; 4.7647; 11.1762 90; 93.81; 90 | 295.88 | Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R. A new high-pressure polymorph of phosphoric acid Acta Crystallographica Section B, 2017, 73, 1068-1074 |
| 2108164 | CIF | D3 O4 P | P 1 21/c 1 | 5.5356; 4.7522; 11.1169 90; 93.561; 90 | 291.88 | Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R. A new high-pressure polymorph of phosphoric acid Acta Crystallographica Section B, 2017, 73, 1068-1074 |
| 2108165 | CIF | D3 O4 P | P 1 21/c 1 | 5.5049; 4.7401; 11.0668 90; 93.355; 90 | 288.28 | Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R. A new high-pressure polymorph of phosphoric acid Acta Crystallographica Section B, 2017, 73, 1068-1074 |
| 2108166 | CIF | D3 O4 P | P 1 21/c 1 | 5.4357; 4.7148; 10.9698 90; 92.874; 90 | 280.78 | Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R. A new high-pressure polymorph of phosphoric acid Acta Crystallographica Section B, 2017, 73, 1068-1074 |
| 2108167 | CIF | D3 O4 P | P 1 21/c 1 | 5.403; 4.7036; 10.9238 90; 92.633; 90 | 277.32 | Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R. A new high-pressure polymorph of phosphoric acid Acta Crystallographica Section B, 2017, 73, 1068-1074 |
| 2108168 | CIF | D3 O4 P | P 1 21/c 1 | 5.7466; 4.8378; 11.6028 90; 95.107; 90 | 321.29 | Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R. A new high-pressure polymorph of phosphoric acid Acta Crystallographica Section B, 2017, 73, 1068-1074 |
| 2108169 | CIF | D3 O4 P | P 21 21 21 | 4.6648; 8.6057; 14.5932 90; 90; 90 | 585.83 | Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R. A new high-pressure polymorph of phosphoric acid Acta Crystallographica Section B, 2017, 73, 1068-1074 |
| 2108170 | CIF | D3 O4 P | P 21 21 21 | 4.6494; 8.558; 14.5078 90; 90; 90 | 577.26 | Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R. A new high-pressure polymorph of phosphoric acid Acta Crystallographica Section B, 2017, 73, 1068-1074 |
| 2108171 | CIF | D3 O4 P | P 21 21 21 | 4.6332; 8.5169; 14.4323 90; 90; 90 | 569.51 | Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R. A new high-pressure polymorph of phosphoric acid Acta Crystallographica Section B, 2017, 73, 1068-1074 |
| 2108172 | CIF | D3 O4 P | P 21 21 21 | 4.6206; 8.481; 14.388 90; 90; 90 | 563.83 | Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R. A new high-pressure polymorph of phosphoric acid Acta Crystallographica Section B, 2017, 73, 1068-1074 |
| 2108173 | CIF | D3 O4 P | P 21 21 21 | 4.6022; 8.4597; 14.3291 90; 90; 90 | 557.88 | Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R. A new high-pressure polymorph of phosphoric acid Acta Crystallographica Section B, 2017, 73, 1068-1074 |
| 2108174 | CIF | D3 O4 P | P 21 21 21 | 4.598; 8.4429; 14.3036 90; 90; 90 | 555.27 | Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R. A new high-pressure polymorph of phosphoric acid Acta Crystallographica Section B, 2017, 73, 1068-1074 |
| 2108175 | CIF | D3 O4 P | P 21 21 21 | 4.5932; 8.4323; 14.2795 90; 90; 90 | 553.06 | Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R. A new high-pressure polymorph of phosphoric acid Acta Crystallographica Section B, 2017, 73, 1068-1074 |
| 2108176 | CIF | D3 O4 P | P 21 21 21 | 4.5868; 8.4232; 14.2653 90; 90; 90 | 551.15 | Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R. A new high-pressure polymorph of phosphoric acid Acta Crystallographica Section B, 2017, 73, 1068-1074 |
| 2108177 | CIF | D3 O4 P | P 21 21 21 | 4.5831; 8.411; 14.2424 90; 90; 90 | 549.02 | Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R. A new high-pressure polymorph of phosphoric acid Acta Crystallographica Section B, 2017, 73, 1068-1074 |
| 2108178 | CIF | D3 O4 P | P 21 21 21 | 4.5791; 8.4031; 14.2214 90; 90; 90 | 547.22 | Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R. A new high-pressure polymorph of phosphoric acid Acta Crystallographica Section B, 2017, 73, 1068-1074 |
| 2108179 | CIF | D3 O4 P | P 21 21 21 | 4.5689; 8.3733; 14.1755 90; 90; 90 | 542.31 | Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R. A new high-pressure polymorph of phosphoric acid Acta Crystallographica Section B, 2017, 73, 1068-1074 |
| 2108180 | CIF | D3 O4 P | P 21 21 21 | 4.5639; 8.3606; 14.1535 90; 90; 90 | 540.05 | Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R. A new high-pressure polymorph of phosphoric acid Acta Crystallographica Section B, 2017, 73, 1068-1074 |
| 2108181 | CIF | D3 O4 P | P 21 21 21 | 4.5599; 8.3496; 14.1332 90; 90; 90 | 538.1 | Bull, Craig L.; Funnell, Nicholas P.; Pulham, Colin R.; Marshall, William G.; Allan, David R. A new high-pressure polymorph of phosphoric acid Acta Crystallographica Section B, 2017, 73, 1068-1074 |
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