Information card for entry 4073540

Structure parameters

• Formula: C34 H47 Cl4 N2 Pt
• Calculated formula: C34 H47 Cl4 N2 Pt
• SMILES: [Pt]1(Cl)(=C2N(C=CN2c2c(cccc2C(C)C)C(C)C)c2c(cccc2C(C)C)C(C)C)(Cl)[CH2]=[CH]1CCC=C.ClCCl
• Title of publication: Insertion of a N-Heterocyclic Carbene (NHC) into a Platinum−Olefin Bond
• Authors of publication: Fantasia, Serena; Jacobsen, Heiko; Cavallo, Luigi; Nolan, Steven P.
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 14
• Pages of publication: 3286
• a: 9.9989 ± 0.0004 Å
• b: 15.5824 ± 0.0006 Å
• c: 23.2901 ± 0.0009 Å
• α: 90°
• β: 93.903 ± 0.001°
• γ: 90°
• Cell volume: 3620.3 ± 0.2 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0332
• Residual factor for significantly intense reflections: 0.0259
• Weighted residual factors for significantly intense reflections: 0.0642
• Weighted residual factors for all reflections included in the refinement: 0.0672
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No