Information card for entry 4328963

Structure parameters

• Formula: C66 H57 B F15 O P3 Pt
• Calculated formula: C66 H57 B F15 O P3 Pt
• SMILES: [PtH]([P](CCCCO[B](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)(C(C)(C)C)C(C)(C)C)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Ni, Pd, Pt, and Ru Complexes of Phosphine-Borate Ligands
• Authors of publication: Stephanie L. Granville; Gregory C. Welch; Douglas W. Stephan
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 4711 - 4721
• a: 14.3247 ± 0.0011 Å
• b: 14.9512 ± 0.0012 Å
• c: 16.0283 ± 0.0013 Å
• α: 86.229 ± 0.004°
• β: 64.236 ± 0.004°
• γ: 87.839 ± 0.004°
• Cell volume: 3084.7 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.052
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.0883
• Weighted residual factors for all reflections included in the refinement: 0.0948
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No