Information card for entry 7108170

Structure parameters

• Formula: C41 H66 P2 Pt
• Calculated formula: C41 H66 P2 Pt
• SMILES: [PtH]1([P](CCC[P]1(C1CCCCC1)C1CCCCC1)(C1CCCCC1)C1CCCCC1)c1cc(ccc1)C.c1(ccccc1)C
• 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: 11.772 ± 0.001 Å
• b: 13.486 ± 0.001 Å
• c: 25.007 ± 0.002 Å
• α: 90°
• β: 104.899 ± 0.002°
• γ: 90°
• Cell volume: 3836.6 ± 0.5 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 4
• 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: 0.0319
• Residual factor for significantly intense reflections: 0.0271
• Weighted residual factors for significantly intense reflections: 0.0573
• Weighted residual factors for all reflections included in the refinement: 0.0605
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No