Information card for entry 1545108

Structure parameters

• Formula: C38 H54 Au B6 Co2 P
• Calculated formula: C38 H54 Au B6 Co2 P
• SMILES: [c]12([c]3([c]4([c]5([c]1(C)[CoH]1672345[BH]234[BH]58([BH]12[H]8)[Co]1289%10%114([c]4([c]1([c]2([c]8([c]94C)C)C)C)C)[BH]12([BH]63%10[BH]71[H]2)[Au]5%11[P](c1ccccc1)(c1ccccc1)c1ccccc1)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: 19.911 ± 0.005 Å
• b: 12.631 ± 0.002 Å
• c: 17.268 ± 0.004 Å
• α: 90°
• β: 103.586 ± 0.007°
• γ: 90°
• Cell volume: 4221.3 ± 1.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• 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: 0.0692
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.0676
• Weighted residual factors for all reflections included in the refinement: 0.0757
• Goodness-of-fit parameter for all reflections included in the refinement: 0.916
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No