Information card for entry 8100644

Structure parameters

• Formula: C24 H22 Cu N6 O5
• Calculated formula: C24 H22 Cu N6 O5
• SMILES: [Cu]12(OC(=O)c3ccccc3)(OC(=O)c3ccccc3)[n]3n(C(n4[n]1ccc4)n1[n]2ccc1)ccc3.O
• Title of publication: Crystal structure of bis(η^1^-benzoato)tris(1-pyrazolyl)methanecopper (II) hydrate, C~24~H~22~CuN~6~O~5~
• Authors of publication: Moubaraki, B.; Murray, K. S.; Tiekink, E. R. T.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2002
• Journal volume: 217
• Journal issue: 2
• Pages of publication: 219 - 220
• a: 12.344 ± 0.007 Å
• b: 12.465 ± 0.004 Å
• c: 17.053 ± 0.003 Å
• α: 90°
• β: 110.807 ± 0.019°
• γ: 90°
• Cell volume: 2452.9 ± 1.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No