Information card for entry 2202408

Structure parameters

• Formula: C16 H40 Cl2 Cu2 Mo N2 S4
• Calculated formula: C16 H40 Cl2 Cu2 Mo N2 S4
• SMILES: [Mo]1234([Cu](S1)(S2)Cl)[Cu](S3)(S4)Cl.[N+](CC)(CC)(CC)CC.[N+](CC)(CC)(CC)CC
• Title of publication: Bis(tetraethylammonium) μ-tetrathiomolybdato(VI)-bis[chlorocopper(I)]
• Authors of publication: Hosaini Sadr, Moayad; Razmi, Habib; Brooks, Neil R.; Clegg, William
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 12
• Pages of publication: m1134 - m1136
• a: 7.5052 ± 0.0005 Å
• b: 13.2537 ± 0.0009 Å
• c: 27.9439 ± 0.0018 Å
• α: 90°
• β: 93.175 ± 0.001°
• γ: 90°
• Cell volume: 2775.4 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• 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: 0.0584
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.0628
• Weighted residual factors for all reflections included in the refinement: 0.0705
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes