Information card for entry 4316355

Structure parameters

• Formula: C38 H51 B4 Mo2 Se3
• Calculated formula: C38 H50 B4 Mo2 Se3
• SMILES: [Mo]123456789([Mo]%10%11%12%13%14%15%16%17([Se]1c1ccccc1)([H][B]([Se]c1ccccc1)([BH]3%11[BH]4%12[B]5%13([Se]c1ccccc1)[H]%10)[H]2)[c]1([c]%14([c]%15([c]%16([c]%171C)C)C)C)C)[c]1([c]9([c]8([c]7([c]61C)C)C)C)C
• 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: 20.1362 ± 0.0014 Å
• b: 11.4533 ± 0.0004 Å
• c: 17.2837 ± 0.0013 Å
• α: 90°
• β: 106.944 ± 0.009°
• γ: 90°
• Cell volume: 3813 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0319
• Residual factor for significantly intense reflections: 0.0208
• Weighted residual factors for significantly intense reflections: 0.0409
• Weighted residual factors for all reflections included in the refinement: 0.0419
• Goodness-of-fit parameter for all reflections included in the refinement: 0.891
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No