Information card for entry 4347345

Structure parameters

• Formula: C39 H63 N2 Pt Sn
• Calculated formula: C39 H63 N2 Pt Sn
• SMILES: [Pt]([Sn](C(C)(C)C)(C(C)(C)C)C(C)(C)C)=C1N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C
• Title of publication: Reversible Inter- and Intramolecular Carbon-Hydrogen Activation, Hydrogen Addition, and Catalysis by the Unsaturated Complex Pt(IPr)(SnBu(t)3)(H).
• Authors of publication: Koppaka, Anjaneyulu; Captain, Burjor
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 6
• Pages of publication: 2679 - 2681
• a: 13.5336 ± 0.0006 Å
• b: 17.1124 ± 0.0007 Å
• c: 19.7007 ± 0.0008 Å
• α: 65.644 ± 0.0001°
• β: 74.784 ± 0.0001°
• γ: 77.263 ± 0.0001°
• Cell volume: 3977.9 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0478
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.1024
• Weighted residual factors for all reflections included in the refinement: 0.1094
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No