Information card for entry 4113997

Structure parameters

• Common name: (dppbz)PtMe3H
• Chemical name: (dppbz)PtMe3H
• Formula: C29 H34 P2 Pt
• Calculated formula: C29 H34 P2 Pt
• SMILES: C[PtH]1(C)(C)[P](CC[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Mechanisms of C-C and C-H Alkane Reductive Eliminations from Octahedral Pt(IV): Reaction via Five-Coordinate Intermediates or Direct Elimination?
• Authors of publication: Dawn M. Crumpton-Bregel; Karen I. Goldberg
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2003
• Journal volume: 125
• Pages of publication: 9442 - 9456
• a: 10.0556 ± 0.0001 Å
• b: 17.0058 ± 0.0003 Å
• c: 16.1268 ± 0.0003 Å
• α: 90°
• β: 107.046 ± 0.001°
• γ: 90°
• Cell volume: 2636.6 ± 0.07 ų
• Cell temperature: 161 ± 2 K
• Ambient diffraction temperature: 161 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0512
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for significantly intense reflections: 0.0765
• Weighted residual factors for all reflections included in the refinement: 0.0824
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No