Information card for entry 4075892

Structure parameters

• Formula: C39 H33 Cl P2 Ru
• Calculated formula: C39 H33 Cl P2 Ru
• SMILES: [Ru]1234(Cl)([PH](c5ccccc5)c5ccccc5)([P](c5ccccc5)(c5ccccc5)c5ccccc5)[cH]5[cH]1[cH]2[c]13cccc[c]451
• Title of publication: Electronic Control of Conformation in Mixed-Phosphine Complexes of the Ruthenium η5-Indenyl Fragment
• Authors of publication: Derrah, Eric J.; Marlinga, Jazmin C.; Mitra, Debbie; Friesen, Dawn M.; Hall, Shaun A.; McDonald, Robert; Rosenberg, Lisa
• Journal of publication: Organometallics
• Year of publication: 2005
• Journal volume: 24
• Journal issue: 24
• Pages of publication: 5817
• a: 13.7599 ± 0.0008 Å
• b: 11.3513 ± 0.0006 Å
• c: 21.8632 ± 0.0012 Å
• α: 90°
• β: 107.716 ± 0.001°
• γ: 90°
• Cell volume: 3252.9 ± 0.3 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0535
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.0998
• Weighted residual factors for all reflections included in the refinement: 0.106
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No