Information card for entry 7022737

Structure parameters

• Formula: C47 H46 Cl2 N O P2 Ru
• Calculated formula: C47 H46 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: 11.902 ± 0.0008 Å
• b: 12.7647 ± 0.0013 Å
• c: 15.59 ± 0.002 Å
• α: 106.371 ± 0.005°
• β: 94.4 ± 0.003°
• γ: 113.79 ± 0.001°
• Cell volume: 2029.9 ± 0.4 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0622
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.0898
• Weighted residual factors for all reflections included in the refinement: 0.098
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No