Information card for entry 7001277

Structure parameters

• Formula: C38 H40 Au2 B10 P2
• Calculated formula: C38 H40 Au2 B10 P2
• SMILES: [BH]1234[BH]567[C]891([Au][P](c1ccccc1)(c1ccccc1)c1ccccc1)[BH]1%10%11[BH]%1238[BH]38%10[BH]%10%131[BH]16([BH]625[BH]4%123[C]8%1316[Au][P](c1ccccc1)(c1ccccc1)c1ccccc1)[BH]79%11%10
• Title of publication: Organometallic gold complexes of carborane. Theoretical comparative analysis of ortho, meta, and para derivatives and luminescence studies
• Authors of publication: Crespo, Olga; Gimeno, M. Concepción; Laguna, Antonio; Ospino, Isaura; Aullón, Gabriel; Oliva, Josep M.
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 19
• Pages of publication: 3807 - 3813
• a: 8.1035 ± 0.0016 Å
• b: 11.757 ± 0.002 Å
• c: 20.581 ± 0.004 Å
• α: 90°
• β: 97.18 ± 0.03°
• γ: 90°
• Cell volume: 1945.4 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.0257
• Residual factor for significantly intense reflections: 0.0232
• Weighted residual factors for significantly intense reflections: 0.0569
• Weighted residual factors for all reflections included in the refinement: 0.0579
• Goodness-of-fit parameter for all reflections included in the refinement: 1.155
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No