Information card for entry 4347361

Structure parameters

• Formula: C20 H38 B8 Ir2
• Calculated formula: C20 H38 B8 Ir2
• SMILES: [Ir]12345678([Ir]9%10%11%12%13%14%15%16([c]%17([c]%11([c]9([c]%10([c]%12%17C)C)C)C)C)[BH]95[BH]5%108[BH]8%117[BH]6%13[BH]6%148[BH]7%15[BH]5%116[BH]%169%107)[c]5([c]2([c]3([c]1([c]45C)C)C)C)C
• Title of publication: Hypoelectronic 8-11-Vertex Irida- and Rhodaboranes.
• Authors of publication: Roy, Dipak Kumar; Borthakur, Rosmita; Prakash, Rini; Bhattacharya, Somnath; Jagan, Rajamony; Ghosh, Sundargopal
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 10
• Pages of publication: 4764 - 4770
• a: 17.8713 ± 0.0014 Å
• b: 9.5072 ± 0.0007 Å
• c: 14.8172 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2517.5 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0462
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.0758
• Weighted residual factors for all reflections included in the refinement: 0.0792
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No