Crystallography Open Database
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Result: there are 398 entries in the selection
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Searching journal of publication like 'Acta Crystallographica Section B Structural Science' volume of publication is 65
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 2104655 | CIF HKL Paper | C3 H9 N O6 S | P 21 21 21 | 6.4955; 18; 5.093 90; 90; 90 | 595.47 | Johnstone, Russell D. L.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Warren, John E. Comparison of the effects of pressure on three layered hydrates: a partially successful attempt to predict a high-pressure phase transition Acta Crystallographica Section B, 2009, 65, 731-748 |
| 2104656 | CIF HKL Paper | C3 H9 N O6 S | P 21 21 21 | 6.4885; 17.834; 5.0983 90; 90; 90 | 590 | Johnstone, Russell D. L.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Warren, John E. Comparison of the effects of pressure on three layered hydrates: a partially successful attempt to predict a high-pressure phase transition Acta Crystallographica Section B, 2009, 65, 731-748 |
| 2104657 | CIF HKL Paper | C9 H13 N O6 S | P 1 21 1 | 6.5299; 7.6432; 11.6081 90; 93.59; 90 | 578.22 | Johnstone, Russell D. L.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Warren, John E. Comparison of the effects of pressure on three layered hydrates: a partially successful attempt to predict a high-pressure phase transition Acta Crystallographica Section B, 2009, 65, 731-748 |
| 2104658 | CIF HKL Paper | C9 H13 N O6 S | P 1 21 1 | 6.4946; 7.6198; 11.5599 90; 93.306; 90 | 571.12 | Johnstone, Russell D. L.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Warren, John E. Comparison of the effects of pressure on three layered hydrates: a partially successful attempt to predict a high-pressure phase transition Acta Crystallographica Section B, 2009, 65, 731-748 |
| 2104659 | CIF HKL Paper | C9 H13 N O6 S | P 1 21 1 | 6.3782; 7.4754; 11.445 90; 92.591; 90 | 545.14 | Johnstone, Russell D. L.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Warren, John E. Comparison of the effects of pressure on three layered hydrates: a partially successful attempt to predict a high-pressure phase transition Acta Crystallographica Section B, 2009, 65, 731-748 |
| 2104660 | CIF HKL Paper | C9 H13 N O6 S | P 1 21 1 | 10.2176; 8.2463; 12.6853 90; 114.238; 90 | 974.61 | Johnstone, Russell D. L.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Warren, John E. Comparison of the effects of pressure on three layered hydrates: a partially successful attempt to predict a high-pressure phase transition Acta Crystallographica Section B, 2009, 65, 731-748 |
| 2104661 | CIF HKL Paper | C9 H13 N O6 S | P 1 21 1 | 9.9602; 8.1894; 12.475 90; 113.06; 90 | 936.3 | Johnstone, Russell D. L.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Warren, John E. Comparison of the effects of pressure on three layered hydrates: a partially successful attempt to predict a high-pressure phase transition Acta Crystallographica Section B, 2009, 65, 731-748 |
| 2104662 | CIF HKL Paper | C9 H13 N O6 S | P 1 21 1 | 9.7934; 8.1603; 12.3534 90; 112.384; 90 | 912.86 | Johnstone, Russell D. L.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Warren, John E. Comparison of the effects of pressure on three layered hydrates: a partially successful attempt to predict a high-pressure phase transition Acta Crystallographica Section B, 2009, 65, 731-748 |
| 2104663 | CIF HKL Paper | C9 H13 N O6 S | P 1 21 1 | 9.7046; 8.1477; 12.3071 90; 112.034; 90 | 902.05 | Johnstone, Russell D. L.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Warren, John E. Comparison of the effects of pressure on three layered hydrates: a partially successful attempt to predict a high-pressure phase transition Acta Crystallographica Section B, 2009, 65, 731-748 |
| 2104664 | CIF HKL Paper | C9 H13 N O6 S | P 1 21 1 | 9.6213; 8.129; 12.298 90; 112.049; 90 | 891.5 | Johnstone, Russell D. L.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Warren, John E. Comparison of the effects of pressure on three layered hydrates: a partially successful attempt to predict a high-pressure phase transition Acta Crystallographica Section B, 2009, 65, 731-748 |
| 2104665 | CIF HKL Paper | C9 H13 N O6 S | P 1 21 1 | 9.5437; 8.1824; 12.151 90; 111.3; 90 | 884.1 | Johnstone, Russell D. L.; Lennie, Alistair R.; Parsons, Simon; Pidcock, Elna; Warren, John E. Comparison of the effects of pressure on three layered hydrates: a partially successful attempt to predict a high-pressure phase transition Acta Crystallographica Section B, 2009, 65, 731-748 |
| 2105702 | CIF | C3 H4 O | P b c a | 6.97; 9.514; 9.752 90; 90; 90 | 646.7 | Day, Graeme M.; Cooper, Timothy G.; Cruz-Cabeza, Aurora J.; Hejczyk, Katarzyna E.; Ammon, Herman L.; Boerrigter, Stephan X. M.; Tan, Jeffrey S.; Della Valle, Raffaele G.; Venuti, Elisabetta; Jose, Jovan; Gadre, Shridhar R.; Desiraju, Gautam R.; Thakur, Tejender S.; van Eijck, Bouke P.; Facelli, Julio C.; Bazterra, Victor E.; Ferraro, Marta B.; Hofmann, Detlef W. M.; Neumann, Marcus A.; Leusen, Frank J. J.; Kendrick, John; Price, Sarah L.; Misquitta, Alston J.; Karamertzanis, Panagiotis G.; Welch, Gareth W. A.; Scheraga, Harold A.; Arnautova, Yelena A.; Schmidt, Martin U.; van de Streek, Jacco; Wolf, Alexandra K.; Schweizer, Bernd Significant progress in predicting the crystal structures of small organic molecules ‒ a report on the fourth blind test Acta Crystallographica Section B Structural Science, 2009, 65, 107-125 |
| 2105703 | CIF | C6 H2 Br2 Cl F | P 1 21/c 1 | 3.8943; 13.5109; 14.4296 90; 93.636; 90 | 757.69 | Day, Graeme M.; Cooper, Timothy G.; Cruz-Cabeza, Aurora J.; Hejczyk, Katarzyna E.; Ammon, Herman L.; Boerrigter, Stephan X. M.; Tan, Jeffrey S.; Della Valle, Raffaele G.; Venuti, Elisabetta; Jose, Jovan; Gadre, Shridhar R.; Desiraju, Gautam R.; Thakur, Tejender S.; van Eijck, Bouke P.; Facelli, Julio C.; Bazterra, Victor E.; Ferraro, Marta B.; Hofmann, Detlef W. M.; Neumann, Marcus A.; Leusen, Frank J. J.; Kendrick, John; Price, Sarah L.; Misquitta, Alston J.; Karamertzanis, Panagiotis G.; Welch, Gareth W. A.; Scheraga, Harold A.; Arnautova, Yelena A.; Schmidt, Martin U.; van de Streek, Jacco; Wolf, Alexandra K.; Schweizer, Bernd Significant progress in predicting the crystal structures of small organic molecules ‒ a report on the fourth blind test Acta Crystallographica Section B Structural Science, 2009, 65, 107-125 |
| 2105704 | CIF | C10 H10 N2 S3 | P 1 21/c 1 | 13.06; 9.738; 9.335 90; 105.8; 90 | 1142.4 | Day, Graeme M.; Cooper, Timothy G.; Cruz-Cabeza, Aurora J.; Hejczyk, Katarzyna E.; Ammon, Herman L.; Boerrigter, Stephan X. M.; Tan, Jeffrey S.; Della Valle, Raffaele G.; Venuti, Elisabetta; Jose, Jovan; Gadre, Shridhar R.; Desiraju, Gautam R.; Thakur, Tejender S.; van Eijck, Bouke P.; Facelli, Julio C.; Bazterra, Victor E.; Ferraro, Marta B.; Hofmann, Detlef W. M.; Neumann, Marcus A.; Leusen, Frank J. J.; Kendrick, John; Price, Sarah L.; Misquitta, Alston J.; Karamertzanis, Panagiotis G.; Welch, Gareth W. A.; Scheraga, Harold A.; Arnautova, Yelena A.; Schmidt, Martin U.; van de Streek, Jacco; Wolf, Alexandra K.; Schweizer, Bernd Significant progress in predicting the crystal structures of small organic molecules ‒ a report on the fourth blind test Acta Crystallographica Section B Structural Science, 2009, 65, 107-125 |
| 2105705 | CIF | C13 H15 N3 O2 | P 1 21/n 1 | 7.2795; 13.6699; 12.6695 90; 96.646; 90 | 1252.3 | Day, Graeme M.; Cooper, Timothy G.; Cruz-Cabeza, Aurora J.; Hejczyk, Katarzyna E.; Ammon, Herman L.; Boerrigter, Stephan X. M.; Tan, Jeffrey S.; Della Valle, Raffaele G.; Venuti, Elisabetta; Jose, Jovan; Gadre, Shridhar R.; Desiraju, Gautam R.; Thakur, Tejender S.; van Eijck, Bouke P.; Facelli, Julio C.; Bazterra, Victor E.; Ferraro, Marta B.; Hofmann, Detlef W. M.; Neumann, Marcus A.; Leusen, Frank J. J.; Kendrick, John; Price, Sarah L.; Misquitta, Alston J.; Karamertzanis, Panagiotis G.; Welch, Gareth W. A.; Scheraga, Harold A.; Arnautova, Yelena A.; Schmidt, Martin U.; van de Streek, Jacco; Wolf, Alexandra K.; Schweizer, Bernd Significant progress in predicting the crystal structures of small organic molecules ‒ a report on the fourth blind test Acta Crystallographica Section B Structural Science, 2009, 65, 107-125 |
| 2105706 | CIF Paper | Br4 Si | P a -3 | 11.17701; 11.17701; 11.17701 90; 90; 90 | 1396.29 | Wolf, Alexandra K.; Glinnemann, Jürgen; Schmidt, Martin U.; Tong, Jianwei; Dinnebier, Robert E.; Simon, Arndt; Köhler, Jürgen SiBr4‒ prediction and determination of crystal structures Acta Crystallographica Section B Structural Science, 2009, 65, 342-349 |
| 2105707 | CIF Paper | Br4 Si | P 1 21/c 1 | 10.1319; 6.7002; 10.2389 90; 102.665; 90 | 678.16 | Wolf, Alexandra K.; Glinnemann, Jürgen; Schmidt, Martin U.; Tong, Jianwei; Dinnebier, Robert E.; Simon, Arndt; Köhler, Jürgen SiBr4‒ prediction and determination of crystal structures Acta Crystallographica Section B Structural Science, 2009, 65, 342-349 |
| 9014704 | CIF | Cl Cu2 H3 O3 | P 1 21/n 1 | 6.1675; 6.8327; 9.1517 90; 99.492; 90 | 380.379 | Malcherek, T.; Schluter, J. Structures of the pseudo-trigonal polymorphs of Cu2(OH)3Cl Note: Sample #1 Acta Crystallographica, Section B, 2009, 65, 334-341 |
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