Information card for entry 4065867

Structure parameters

• Formula: C27 H40 B N7 Pt
• Calculated formula: C27 H40 B N7 Pt
• SMILES: [Pt]12(C)(C)(/C(=N/c3c(cccc3C)C)C)[n]3n([BH](n4[n]1c(cc4C)C)n1[n]2c(cc1C)C)c(cc3C)C
• Title of publication: Synthesis of Isonitrile, Iminoacyl, and Aminocarbene Tp′Pt Complexes†
• Authors of publication: Engelman, Kristi L.; White, Peter S.; Templeton, Joseph L.
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 21
• Pages of publication: 4943
• a: 10.9293 ± 0.0003 Å
• b: 11.9574 ± 0.0003 Å
• c: 22.0161 ± 0.0006 Å
• α: 78.747 ± 0.002°
• β: 83.337 ± 0.002°
• γ: 78.822 ± 0.002°
• Cell volume: 2759.19 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0735
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.0985
• Weighted residual factors for all reflections included in the refinement: 0.1061
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No