Information card for entry 7008196

Structure parameters

• Formula: C33 H35 O P Ru
• Calculated formula: C33 H35 O P Ru
• SMILES: [Ru]12345678([p]9[c]4([c]3([c]2([c]19c1ccccc1)C)C)c1c2ccccc2ccc1OC)[c]1([c]8([c]7([c]6([c]51C)C)C)C)C
• Title of publication: Synthesis, structure and dynamics of methoxynaphthalene-substituted phospha-ruthenocenes and -ferrocenes.
• Authors of publication: Carmichael, Duncan; Ricard, Louis; Seeboth, Nicolas; Brown, John M.; Claridge, Timothy D. W.; Odell, Barbara
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2005
• Journal issue: 12
• Pages of publication: 2173 - 2181
• a: 9.992 ± 0.005 Å
• b: 11.74 ± 0.005 Å
• c: 12.042 ± 0.005 Å
• α: 79.53 ± 0.005°
• β: 71.17 ± 0.005°
• γ: 89.49 ± 0.005°
• Cell volume: 1312.9 ± 1 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.049
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.0824
• Weighted residual factors for all reflections included in the refinement: 0.0874
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No