Information card for entry 4346139

Structure parameters

• Common name: in manuscript 3a
• Formula: C32 H42 Cl6 N2 P2 Ru
• Calculated formula: C32 H42 Cl6 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: 9.9759 ± 0.0007 Å
• b: 16.3832 ± 0.0012 Å
• c: 23.1814 ± 0.0017 Å
• α: 90°
• β: 95.333 ± 0.002°
• γ: 90°
• Cell volume: 3772.3 ± 0.5 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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 all reflections: 0.0967
• Residual factor for significantly intense reflections: 0.0607
• Weighted residual factors for significantly intense reflections: 0.1325
• Weighted residual factors for all reflections included in the refinement: 0.147
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No