Information card for entry 4347363

Structure parameters

• Formula: C20 H39 B9 Ir2
• Calculated formula: C20 H39 B9 Ir2
• SMILES: [c]12([c]3([c]4([c]5([c]1(C)[Ir]16782345[BH]23[BH]451[BH]196[BH]6%104[BH]4%111[BH]16[BH]6%124[BH]72([BH]89%116)[Ir]246735%101%12[c]1([c]2([c]4([c]6([c]71C)C)C)C)C)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: 8.5307 ± 0.0004 Å
• b: 14.5958 ± 0.0006 Å
• c: 21.0227 ± 0.0009 Å
• α: 90°
• β: 100.675 ± 0.002°
• γ: 90°
• Cell volume: 2572.3 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• 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: 0.0535
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.0824
• Weighted residual factors for all reflections included in the refinement: 0.0886
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No