Information card for entry 4330516

Structure parameters

• Formula: C20 H34 B4 Mo2 S2
• Calculated formula: C20 H34 B4 Mo2 S2
• SMILES: [Mo]123456789%10([c]%11([c]4([c]3([c]2([c]1%11C)C)C)C)C)[Mo]1234%11%12%13%14%15([c]%16([c]1([c]2([c]3([c]4%16C)C)C)C)C)[S]5[BH]7%12[BH]%10%15[BH]8%13[BH]9%14[S]6%11
• Title of publication: Theoretical and Experimental Investigations on Hypoelectronic Heterodimetallaboranes of Group 6 Transition Metals
• Authors of publication: Bellie Sundaram Krishnamoorthy; Arunabha Thakur; Kiran Kumar Varma Chakrahari; Shubhankar Kumar Bose; Paul Hamon; Thierry Roisnel; Samia Kahlal; Sundargopal Ghosh; Jean-François Halet
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 10375 - 10383
• a: 15.1781 ± 0.0003 Å
• b: 32.341 ± 0.0007 Å
• c: 16.5167 ± 0.0003 Å
• α: 90°
• β: 114.685 ± 0.001°
• γ: 90°
• Cell volume: 7366.7 ± 0.3 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0997
• Residual factor for significantly intense reflections: 0.0721
• Weighted residual factors for significantly intense reflections: 0.1841
• Weighted residual factors for all reflections included in the refinement: 0.2071
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No