Information card for entry 4346140

Structure parameters

• Common name: in manuscript 3b
• Formula: C34.5 H47 Cl2 N2 P2 Ru
• Calculated formula: C34.5025 H47.005 Cl2 N2 P2 Ru
• Title of publication: Bulky N-Phosphino-Functionalized N-Heterocyclic Carbene Ligands: Synthesis, Ruthenium Coordination Chemistry, and Ruthenium Alkylidene Complexes for Olefin Metathesis.
• Authors of publication: Brown, Christopher C.; Rominger, Frank; Limbach, Michael; Hofmann, Peter
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 21
• Pages of publication: 10126 - 10140
• a: 11.6983 ± 0.0005 Å
• b: 17.3524 ± 0.0008 Å
• c: 17.5483 ± 0.0008 Å
• α: 85.509 ± 0.0012°
• β: 82.146 ± 0.0012°
• γ: 78.159 ± 0.0012°
• Cell volume: 3449 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0906
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.0794
• Weighted residual factors for all reflections included in the refinement: 0.092
• Goodness-of-fit parameter for all reflections included in the refinement: 0.983
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No