Information card for entry 7022736

Structure parameters

• Formula: C50 H49 Cl2 N O P2 Ru
• Calculated formula: C49.934 H48.934 Cl2 N O P2 Ru
• Title of publication: Reversible binding of water, methanol, and ethanol to a five-coordinate ruthenium(II) complex.
• Authors of publication: Ma, Erin S. F.; Patrick, Brian O.; James, Brian R.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 12
• Pages of publication: 4291 - 4298
• a: 10.5773 ± 0.0006 Å
• b: 16.979 ± 0.002 Å
• c: 24.2616 ± 0.0006 Å
• α: 90°
• β: 90.706 ± 0.001°
• γ: 90°
• Cell volume: 4356.9 ± 0.6 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 7
• 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: 0.1357
• Residual factor for significantly intense reflections: 0.0759
• Weighted residual factors for significantly intense reflections: 0.167
• Weighted residual factors for all reflections included in the refinement: 0.2023
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No