Information card for entry 4079403

Structure parameters

• Formula: C35 H31 Br Cl2 P2
• Calculated formula: C35 H31 Br Cl2 P2
• SMILES: [Br-].[P+](C1C=Cc2ccccc12)(c1ccccc1)(c1ccccc1)CP(c1ccccc1)c1ccccc1.C(Cl)Cl
• Title of publication: Synthesis and Ruthenium Coordination Complexes of the Chelating Phosphine Phosphonium-1-indenylide 1,1-Bis(diphenylphosphino)methane-1-indenylide,1-C9H6Ph2PCH2PPh2
• Authors of publication: Hussain, Riaz; Fowler, Kevin G.; Sauriol, Francoise; Baird, Michael C.; Budzelaar, Peter H. M.
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 19
• Pages of publication: 6926
• a: 11.8772 ± 0.0012 Å
• b: 12.1298 ± 0.0012 Å
• c: 12.4458 ± 0.0012 Å
• α: 99.166 ± 0.001°
• β: 115.536 ± 0.001°
• γ: 91.197 ± 0.001°
• Cell volume: 1589.1 ± 0.3 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.031
• Residual factor for significantly intense reflections: 0.0269
• Weighted residual factors for significantly intense reflections: 0.0705
• Weighted residual factors for all reflections included in the refinement: 0.0727
• 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