Information card for entry 2208936

Structure parameters

• Chemical name: Tetrakis(benzyldiphenylphosphine-κP)tetra-μ~2~-sulfido- dicopper(I)molybdenum(VI) tetrahydrate
• Formula: C76 H76 Cu2 Mo O4 P4 S4
• Calculated formula: C76 H76 Cu2 Mo O4 P4 S4
• Title of publication: Tetrakis(benzyldiphenylphosphine-κ<i>P</i>)tetra-μ~2~-sulfido-dicopper(I)molybdenum(VI) tetrahydrate
• Authors of publication: Niu, Yun-Yin; Shui, You-Qin; Yang, Rui; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 5
• Pages of publication: m939 - m941
• a: 13.777 ± 0.001 Å
• b: 13.777 Å
• c: 22.995 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4364.6 ± 0.5 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 7
• Space group number: 82
• Hermann-Mauguin space group symbol: I -4
• Hall space group symbol: I -4
• Residual factor for all reflections: 0.0614
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.1355
• Weighted residual factors for all reflections included in the refinement: 0.148
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes