Information card for entry 2203150

Structure parameters

• Formula: C32 H72 Br0.33 Cl3.67 Cu4 Mo N2 S4
• Calculated formula: C32 H72 Br0.328 Cl3.672 Cu4 Mo N2 S4
• Title of publication: A second tetragonal polymorph of bis(tetra-<i>n</i>-butylammonium) tetrakis[chloro(μ~3~-sulfido)copper(I)]molybdate(VI)
• Authors of publication: Brooks, Neil R.; Clegg, William; Esm-Hosseini, Majid; Hossaini Sadr, Moayad; Yavari, Reza
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 2
• Pages of publication: m204 - m206
• a: 13.3356 ± 0.0006 Å
• b: 13.3356 ± 0.0006 Å
• c: 13.6495 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2427.4 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• Space group number: 85
• Hermann-Mauguin space group symbol: P 4/n :2
• Hall space group symbol: -P 4a
• Residual factor for all reflections: 0.0419
• Residual factor for significantly intense reflections: 0.0244
• Weighted residual factors for significantly intense reflections: 0.0515
• Weighted residual factors for all reflections included in the refinement: 0.0583
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes