Information card for entry 4065869

Structure parameters

• Formula: C27 H39 B Cl2 I N7 Pt
• Calculated formula: C27 H39 B Cl2 I N7 Pt
• SMILES: [Pt]12(I)(C)(C(=N\c3c(cccc3C)C)\C)[n]3n([BH](n4[n]1c(cc4C)C)n1[n]2c(cc1C)C)c(cc3C)C.C(Cl)Cl
• 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: 11.0982 ± 0.0009 Å
• b: 11.9831 ± 0.0009 Å
• c: 12.536 ± 0.0008 Å
• α: 86.822 ± 0.005°
• β: 75.098 ± 0.005°
• γ: 76.798 ± 0.005°
• Cell volume: 1568.5 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0612
• Residual factor for significantly intense reflections: 0.0525
• Weighted residual factors for significantly intense reflections: 0.1176
• Weighted residual factors for all reflections included in the refinement: 0.1216
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No