Information card for entry 4328960

Structure parameters

• Formula: C84 H100 B2 Cl2 F30 Ni P4
• Calculated formula: C84 H100 B2 Cl2 F30 Ni P4
• SMILES: C1CCCC(C1)[P]([Ni]([P](C1CCCCC1)(C1CCCCC1)c1c(F)c(F)c([B](F)(c2c(F)c(F)c(F)c(F)c2F)c2c(c(c(c(c2F)F)F)F)F)c(F)c1F)(Cl)Cl)(C1CCCCC1)c1c(F)c(F)c([B](F)(c2c(F)c(F)c(F)c(F)c2F)c2c(c(c(c(c2F)F)F)F)F)c(F)c1F.[PH+](C(C)(C)C)(C(C)(C)C)C(C)(C)C.[PH+](C(C)(C)C)(C(C)(C)C)C(C)(C)C
• 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: 11.6221 ± 0.0006 Å
• b: 13.0066 ± 0.0007 Å
• c: 16.1921 ± 0.0009 Å
• α: 89.881 ± 0.002°
• β: 81.754 ± 0.002°
• γ: 66.233 ± 0.002°
• Cell volume: 2212.7 ± 0.2 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: 0.0965
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.1121
• Weighted residual factors for all reflections included in the refinement: 0.1308
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No