Information card for entry 2203151

Structure parameters

• Formula: C27 H66 Br3.42 Cl0.58 Cu3 Mo N3 O2 S3
• Calculated formula: C27 H66 Br3.415 Cl0.585 Cu3 Mo N3 O2 S3
• Title of publication: Tris(tetraethylammonium) tris(μ~3~-sulfido)bis[bromocopper(I)][dibromocopper(I)]oxomolybdate(VI) acetone solvate
• Authors of publication: Beheshti, Azizolla; Brooks, Neil R.; Clegg, William; Khorrmdin, Rahman
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 2
• Pages of publication: m231 - m233
• a: 14.2654 ± 0.001 Å
• b: 17.8039 ± 0.0018 Å
• c: 17.288 ± 0.002 Å
• α: 90°
• β: 93.224 ± 0.009°
• γ: 90°
• Cell volume: 4383.9 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 9
• 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: 0.0741
• Residual factor for significantly intense reflections: 0.0528
• Weighted residual factors for significantly intense reflections: 0.1179
• Weighted residual factors for all reflections included in the refinement: 0.1277
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes