Information card for entry 7108168

Structure parameters

• Formula: C29 H52 Cl6 P2 Pt
• Calculated formula: C27 H48 Cl2 P2 Pt
• SMILES: [Pt]1([P](CCC[P]1(C1CCCCC1)C1CCCCC1)(C1CCCCC1)C1CCCCC1)(Cl)Cl
• Title of publication: Room Temperature Reversible CH Activation Mediated by a Pt(0) center, and Stoichiometric Biphenyl Formation via Solvent Activation
• Authors of publication: Emmanuel Nicolas; Xavier Le Goff; Stephane Bouchonnet; Nicolas Mezailles
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Journal issue: 67
• Pages of publication: 8350 - 8352
• a: 8.959 ± 0.001 Å
• b: 17.604 ± 0.002 Å
• c: 11.96 ± 0.001 Å
• α: 90°
• β: 110.056 ± 0.002°
• γ: 90°
• Cell volume: 1771.9 ± 0.3 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 8
• Hermann-Mauguin space group symbol: C 1 m 1
• Hall space group symbol: C -2y
• Residual factor for all reflections: 0.0384
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.102
• Weighted residual factors for all reflections included in the refinement: 0.102
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No