Information card for entry 1545105

Structure parameters

• Formula: C30 H49 B5 Cl Ir3
• Calculated formula: C30 H49 B5 Cl Ir3
• SMILES: [Ir]12345678([Ir]9%10%11%12%13%14%15([Ir]%16%17%18%19%20%21%22([c]%23([c]%19([c]%18([c]%17([c]%16%23C)C)C)C)C)[B]5%13(Cl)[BH]6%20[BH]57%21[BH]%14%22[BH]8%155)[c]5([c]9([c]%10(C)[c]%11([c]%125C)C)C)C)[c]5([c]2([c]3([c]4([c]15C)C)C)C)C
• Title of publication: Synthesis, Chemistry, and Electronic Structures of Group 9 Metallaboranes.
• Authors of publication: Borthakur, Rosmita; Kar, Sourav; Barik, Subrat Kumar; Bhattacharya, Somnath; Kundu, Gargi; Varghese, Babu; Ghosh, Sundargopal
• Journal of publication: Inorganic chemistry
• Year of publication: 2017
• Journal volume: 56
• Journal issue: 3
• Pages of publication: 1524 - 1533
• a: 18.0776 ± 0.0006 Å
• b: 23.0282 ± 0.0009 Å
• c: 16.1926 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6740.9 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0899
• Residual factor for significantly intense reflections: 0.0556
• Weighted residual factors for significantly intense reflections: 0.1158
• Weighted residual factors for all reflections included in the refinement: 0.1357
• Goodness-of-fit parameter for all reflections included in the refinement: 1.114
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No