Information card for entry 4334023

Structure parameters

• Formula: C30 H31 Cl2 N P2 Pt
• Calculated formula: C30 H31 Cl2 N P2 Pt
• SMILES: [P]1(N(C2CCCCC2)[P]([Pt]1(Cl)Cl)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Ethylene Tri- and Tetramerization: a Steric Parameter Selectivity Switch from X-ray Crystallography and Computational Analysis
• Authors of publication: Nicoline Cloete; Hendrik G. Visser; Ilana Engelbrecht; Matthew J. Overett; William F. Gabrielli; Andreas Roodt
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 2268 - 2270
• a: 11.0839 ± 0.0009 Å
• b: 17.2379 ± 0.0016 Å
• c: 14.8418 ± 0.0012 Å
• α: 90°
• β: 100.329 ± 0.002°
• γ: 90°
• Cell volume: 2789.8 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.026
• Weighted residual factors for all reflections included in the refinement: 0.0549
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No