Information card for entry 4065868

Structure parameters

• Formula: C25 H34 B N7 Pt
• Calculated formula: C25 H34 B N7 Pt
• SMILES: [Pt]1(C)(C#[N]c2c(cccc2C)C)[n]2n([BH](n3[n]1c(cc3C)C)n1nc(cc1C)C)c(cc2C)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: 10.9517 ± 0.0003 Å
• b: 19.4849 ± 0.0005 Å
• c: 12.2946 ± 0.0003 Å
• α: 90°
• β: 93.826 ± 0.001°
• γ: 90°
• Cell volume: 2617.73 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0262
• Residual factor for significantly intense reflections: 0.0229
• Weighted residual factors for significantly intense reflections: 0.055
• Weighted residual factors for all reflections included in the refinement: 0.0564
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No