Information card for entry 4316351

Structure parameters

• Formula: C38.5 H48 B Cl Mo2 S4
• Calculated formula: C38.5 H47 B Cl Mo2 S4
• 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: 10.6733 ± 0.0003 Å
• b: 11.8836 ± 0.0004 Å
• c: 17.4329 ± 0.0006 Å
• α: 71.821 ± 0.002°
• β: 82.061 ± 0.002°
• γ: 65.939 ± 0.002°
• Cell volume: 1918.09 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0753
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.1015
• Weighted residual factors for all reflections included in the refinement: 0.1153
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No