Information card for entry 4316353

Structure parameters

• Formula: C40 H60 B2 Mo4 S7
• Calculated formula: C40 H60 B2 Mo4 S7
• Title of publication: Chemistry of Molybdaboranes: Synthesis, Structures, and Characterization of a New Class of Open-Cage Dimolybdaheteroborane Clusters
• Authors of publication: Rajendra Singh Dhayal; Kiran Kumar Varma Chakrahari; Babu Varghese; Shaikh M. Mobin; Sundargopal Ghosh
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 7741 - 7747
• a: 12.744 ± 0.005 Å
• b: 14.785 ± 0.005 Å
• c: 14.632 ± 0.005 Å
• α: 90 ± 0.005°
• β: 95.38 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 2744.8 ± 1.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.1123
• Residual factor for significantly intense reflections: 0.0932
• Weighted residual factors for significantly intense reflections: 0.3123
• Weighted residual factors for all reflections included in the refinement: 0.3482
• Goodness-of-fit parameter for all reflections included in the refinement: 1.486
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No