Information card for entry 2015407

Structure parameters

• Chemical name: hexa-μ~2~-chloro-chlorotetrakis(2-methyl-1H-imidazole- κN^1^)-μ~4~-oxo-tetracopper(II) methanol tetrasolvate, [Cu~4~Cl~6~O(C~4~H~6~N~2~)~4~].3CH~4~O
• Formula: C19 H36 Cl6 Cu4 N8 O4
• Calculated formula: C19 H36 Cl6 Cu4 N8 O4
• 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: 10.2454 ± 0.0013 Å
• b: 17.826 ± 0.002 Å
• c: 19.557 ± 0.002 Å
• α: 90°
• β: 94.877 ± 0.002°
• γ: 90°
• Cell volume: 3558.9 ± 0.7 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0695
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.0986
• Weighted residual factors for all reflections included in the refinement: 0.1066
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes