Information card for entry 8100646

Structure parameters

• Formula: C17 H15 Cl Cu N6 O2
• Calculated formula: C17 H15 Cl Cu N6 O2
• SMILES: [Cu]12(Cl)(OC(=O)c3ccccc3)[n]3n(C(n4[n]1ccc4)n1[n]2ccc1)ccc3
• Title of publication: Crystal structure of η^1^-benzoato-chloro-tris(1-pyrazolylmethane)- copper(II),^ ^C~17~H~15~ClCuN~6~O~2~
• Authors of publication: van Langenberg, K. A.; 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: 223 - 224
• a: 7.715 ± 0.003 Å
• b: 14.382 ± 0.002 Å
• c: 16.457 ± 0.003 Å
• α: 90°
• β: 99.95 ± 0.02°
• γ: 90°
• Cell volume: 1798.6 ± 0.7 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 6
• 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