Information card for entry 7021437

Structure parameters

• Formula: C45 H47 B9 Cl2 Cu P3
• Calculated formula: C45 H47 B9 Cl2 Cu P3
• SMILES: [Cu]1([P]([C]234[C]56([P]1(c1ccccc1)c1ccccc1)[BH]17[BH2]89[BH]%102[BH]2%119[BH]978[BH]761[BH]135[BH]4%102[BH]%11971)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1.C(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: 17.0593 ± 0.0014 Å
• b: 20.6703 ± 0.0016 Å
• c: 13.3203 ± 0.0011 Å
• α: 90°
• β: 102.592 ± 0.004°
• γ: 90°
• Cell volume: 4584 ± 0.6 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 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: 0.0655
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.0929
• Weighted residual factors for all reflections included in the refinement: 0.1029
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No