Information card for entry 4307551

Structure parameters

• Formula: C80 H120 As8 Br8 Cu8 Mo8 S12
• Calculated formula: C80 H120 As8 Br8 Cu8 Mo8 S12
• Title of publication: Investigation into the Formation of Supramolecular Compounds from Mixed As/S-Ligand Complexes [(Cp*Mo)2As2S3] (Cp* = C5Me5) and Copper Halides
• Authors of publication: Michael Pronold; Manfred Scheer; Joachim Wachter; Manfred Zabel
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 1396 - 1400
• a: 10.5935 ± 0.0012 Å
• b: 16.3714 ± 0.0018 Å
• c: 16.6376 ± 0.0018 Å
• α: 91.103 ± 0.013°
• β: 92.323 ± 0.014°
• γ: 97.429 ± 0.013°
• Cell volume: 2858 ± 0.6 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 123 ± 1 K
• Number of distinct elements: 7
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0545
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.0815
• Weighted residual factors for all reflections included in the refinement: 0.0847
• Goodness-of-fit parameter for all reflections included in the refinement: 0.848
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No