Information card for entry 4088009

Structure parameters

• Formula: C38 H66 Cl N P2 Ru
• Calculated formula: C38 H66 Cl N P2 Ru
• Title of publication: Ligand Sphere Conversions in Terminal Carbide Complexes
• Authors of publication: Morsing, Thorbjørn J.; Reinholdt, Anders; Sauer, Stephan P. A.; Bendix, Jesper
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 35
• Journal issue: 2
• Pages of publication: 100
• a: 13.2252 ± 0.0006 Å
• b: 23.4044 ± 0.001 Å
• c: 13.5975 ± 0.0007 Å
• α: 90°
• β: 115.829 ± 0.002°
• γ: 90°
• Cell volume: 3788.3 ± 0.3 ų
• Cell temperature: 122 ± 2 K
• Ambient diffraction temperature: 122 ± 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: 0.0572
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.0976
• Weighted residual factors for all reflections included in the refinement: 0.1035
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No