Information card for entry 2015405

Structure parameters

• Chemical name: 4-phenyl-1H-imidazolium hexa-μ~2~-chloro-chloro-μ~4~-oxo-tris(4-phenyl-1H-imidazole- κN^1^)tetracopper(II) monohydrate
• Formula: C36 H35 Cl7 Cu4 N8 O2
• Calculated formula: C36 H33 Cl7 Cu4 N8 O2
• Title of publication: Three oxo complexes with a tetranuclear [Cu~4~(μ~2~-Cl)~6~(μ~4~-O)] unit
• Authors of publication: Piedad Cortés; Ana María Atria; María Teresa Garland; Ricardo Baggio
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 7
• Pages of publication: m311 - m314
• a: 12.394 ± 0.003 Å
• b: 14.823 ± 0.003 Å
• c: 14.924 ± 0.003 Å
• α: 97.707 ± 0.006°
• β: 113.562 ± 0.005°
• γ: 112.86 ± 0.005°
• Cell volume: 2175.6 ± 0.8 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.099
• Residual factor for significantly intense reflections: 0.0503
• Weighted residual factors for significantly intense reflections: 0.0577
• Weighted residual factors for all reflections included in the refinement: 0.0667
• Goodness-of-fit parameter for all reflections included in the refinement: 0.975
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes