Information card for entry 4117983

Structure parameters

• Formula: C25 H36 B N7 O Pt
• Calculated formula: C25 H36 B N7 O Pt
• SMILES: [Pt]12(C)(C)(C(=O)NCc3ccccc3)[n]3n([BH](n4[n]1c(cc4C)C)n1[n]2c(cc1C)C)c(cc3C)C
• Title of publication: Seeking a Mechanistic Analogue of the Water-Gas Shift Reaction: Carboxamido Ligand Formation and Isocyanate Elimination from Complexes Containing the Tp'PtMe Fragment
• Authors of publication: Bryan E. Frauhiger; Matthew T. Ondisco; Peter S. White; Joseph L. Templeton
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 8902 - 8910
• a: 8.1004 ± 0.0003 Å
• b: 9.5201 ± 0.0003 Å
• c: 18.1022 ± 0.0007 Å
• α: 78.606 ± 0.002°
• β: 77.336 ± 0.003°
• γ: 77.1 ± 0.002°
• Cell volume: 1311.34 ± 0.08 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: 0.043
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.1038
• Weighted residual factors for all reflections included in the refinement: 0.1051
• Goodness-of-fit parameter for all reflections included in the refinement: 1.198
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No