Information card for entry 7001278

Structure parameters

• Formula: C8 H28 Au2 B10 P2
• Calculated formula: C8 H28 Au2 B10 P2
• SMILES: [Au]([C]1234[BH]567[BH]891[BH]1%102[BH]2%113[BH]3%12%13[BH]%145([BH]568[BH]691[BH]%1023[BH]%12%1456)[C]47%11%13[Au][P](C)(C)C)[P](C)(C)C
• 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: 16.807 ± 0.003 Å
• b: 13.648 ± 0.003 Å
• c: 18.454 ± 0.004 Å
• α: 90°
• β: 102.73 ± 0.03°
• γ: 90°
• Cell volume: 4129 ± 1.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0197
• Residual factor for significantly intense reflections: 0.0188
• Weighted residual factors for significantly intense reflections: 0.0421
• Weighted residual factors for all reflections included in the refinement: 0.0425
• Goodness-of-fit parameter for all reflections included in the refinement: 1.142
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No