Information card for entry 4337856

Structure parameters

• Formula: C42 H39 Cl F6 N7 P Ru S
• Calculated formula: C42 H39 Cl F5.6 N7 P Ru S
• Title of publication: Effect of Substituents on the Water Oxidation Activity of [Ru(II)(terpy)(phen)Cl](+) Procatalysts.
• Authors of publication: Wanniarachchi, Dakshika C.; Heeg, Mary Jane; Verani, Cláudio N
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 7
• Pages of publication: 3311
• a: 15.7842 ± 0.0008 Å
• b: 13.1866 ± 0.0007 Å
• c: 19.5857 ± 0.001 Å
• α: 90°
• β: 93.825 ± 0.002°
• γ: 90°
• Cell volume: 4067.5 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 8
• 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: 0.0454
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.0994
• Weighted residual factors for all reflections included in the refinement: 0.1048
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No