Information card for entry 2013118

Structure parameters

• Chemical name: Hexa-μ-chloro-μ~4~-oxo-tetrakis{[5-(2,4,6-trimethylphenyl)pyrazole- κN^2^]copper(II)}
• Formula: C48 H56 Cl6 Cu4 N8 O
• Calculated formula: C48 H56 Cl6 Cu4 N8 O
• SMILES: c1(cc[n]([nH]1)[Cu]123[O]45[Cu]6([n]7ccc(c8c(C)cc(cc8C)C)[nH]7)([Cl]2)[Cl][Cu]5([Cl]3)([Cl][Cu]4([Cl]1)([n]1ccc(c2c(cc(cc2C)C)C)[nH]1)[Cl]6)[n]1ccc(c2c(cc(cc2C)C)C)[nH]1)c1c(cc(cc1C)C)C
• Title of publication: Hexa-μ-chloro-μ~4~-oxo-tetrakis{[5-(2,4,6-trimethylphenyl)pyrazole-κ<i>N</i>^2^]copper(II)}
• Authors of publication: Liu, Xiao-Ming; Kilner, Colin A.; Halcrow, Malcolm A.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 3
• Pages of publication: m100 - m102
• a: 21.6279 ± 0.0002 Å
• b: 11.8266 ± 0.0001 Å
• c: 20.8023 ± 0.0003 Å
• α: 90°
• β: 96.4448 ± 0.0005°
• γ: 90°
• Cell volume: 5287.28 ± 0.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.046
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.094
• Weighted residual factors for all reflections included in the refinement: 0.102
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes