Information card for entry 7021438

Structure parameters

• Formula: C40 H45 Au B9 O P3
• Calculated formula: C40 H45 Au B9 O P3
• SMILES: [Au]1([P]([C]234[BH]56[BH]78[BH]9%10[BH]%11%12%13[BH]%142([BH]236[BH]358[BH]79%11[BH]%12%1423)[C]4%10%13[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[P](OCC)(c1ccccc1)c1ccccc1
• Title of publication: Influence of the group 11 metal on the emissive properties of complexes [M{(PR2)2C2B9H10}L].
• Authors of publication: Crespo, Olga; Díez-Gil, César; Gimeno, M Concepción; Jones, Peter G.; Laguna, Antonio; Ospino, Isaura; Tapias, Jorge; Villacampa, M. Dolores; Visbal, Renso
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 23
• Pages of publication: 8298 - 8306
• a: 11.9805 ± 0.0017 Å
• b: 12.7651 ± 0.0018 Å
• c: 14.375 ± 0.002 Å
• α: 79.691 ± 0.003°
• β: 70.189 ± 0.003°
• γ: 76.404 ± 0.003°
• Cell volume: 1998.4 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.073
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.1002
• Weighted residual factors for all reflections included in the refinement: 0.1072
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No