Information card for entry 4347349

Structure parameters

• Formula: C47 H72 N2 Pt Sn
• Calculated formula: C47 H72 N2 Pt Sn
• SMILES: [PtH]1([Sn](C(C)(C)C)(C(C)(C)C)C(C)(C)C)(=C2N(C=CN2c2c(cccc2C(C)C)C(C)C)c2c(cccc2C(C)C)C(C)C)[CH2]=[CH]1c1ccccc1
• 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: 20.0223 ± 0.0013 Å
• b: 12.4136 ± 0.0008 Å
• c: 19.6166 ± 0.0013 Å
• α: 90°
• β: 110.883 ± 0.001°
• γ: 90°
• Cell volume: 4555.4 ± 0.5 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0586
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.0673
• Weighted residual factors for all reflections included in the refinement: 0.0717
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No