Information card for entry 4084289

Structure parameters

• Common name: sef1_99a
• Chemical name: sef1_99a
• Formula: C42 H54.63 Cl N4 O P Ru
• Calculated formula: C42 H54.63 Cl N4 O P Ru
• Title of publication: Mono- and Dimetalation of a Tridentate Bisimidazole-Phosphine Ligand
• Authors of publication: Flowers, Sarah E.; Cossairt, Brandi M.
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 17
• Pages of publication: 4341
• a: 16.1738 ± 0.0018 Å
• b: 13.9542 ± 0.0015 Å
• c: 17.0592 ± 0.0018 Å
• α: 90°
• β: 92.634 ± 0.007°
• γ: 90°
• Cell volume: 3846.1 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1423
• Residual factor for significantly intense reflections: 0.0876
• Weighted residual factors for significantly intense reflections: 0.1593
• Weighted residual factors for all reflections included in the refinement: 0.1764
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No