Information card for entry 4347350

Structure parameters

• Formula: C43 H52 N2 Pt
• Calculated formula: C43 H52 N2 Pt
• SMILES: [Pt]12(=C3C(C=CN3c3c(cccc3C(C)C)C(C)C)c3c(cccc3C(C)C)C(C)C)([CH2]=[CH]1c1ccccc1)[CH2]=[CH]2c1ccccc1
• 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: 24.785 ± 0.0009 Å
• b: 12.2744 ± 0.0004 Å
• c: 27.2533 ± 0.001 Å
• α: 90°
• β: 114.686 ± 0.001°
• γ: 90°
• Cell volume: 7533.3 ± 0.5 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0261
• Residual factor for significantly intense reflections: 0.0197
• Weighted residual factors for significantly intense reflections: 0.0436
• Weighted residual factors for all reflections included in the refinement: 0.0463
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No