Information card for entry 7021439

Structure parameters

• Formula: C82 H89 Au2 B18 Cl9 P6
• Calculated formula: C82 H87 Au2 B18 Cl9 P6
• SMILES: [Au]1([P]([C]234[BH]56[BH]78[BH]9%10[BH]%11%127[BH]7%139[BH]92([BH]235[BH]%11%139[BH]68%122)[C]4%107[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)CCC[P]([Au]1[P]([C]234[BH]56[BH]78[BH]9%10[BH]%11%127[BH]7%139[BH]92([BH]235[BH]68%11[BH]%12792)[C]4%10%13[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl
• 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: 16.2394 ± 0.0017 Å
• b: 17.7117 ± 0.0019 Å
• c: 17.713 ± 0.0019 Å
• α: 72.326 ± 0.002°
• β: 69.982 ± 0.002°
• γ: 80.111 ± 0.002°
• Cell volume: 4547.9 ± 0.8 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: 0.0576
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.0823
• Weighted residual factors for all reflections included in the refinement: 0.0884
• Goodness-of-fit parameter for all reflections included in the refinement: 0.925
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No