Information card for entry 4347062

Structure parameters

• Formula: C57 H43 Cl9 N2 O Ru S
• Calculated formula: C57 H43 Cl9 N2 O Ru S
• Title of publication: Palladium(II), Ruthenium(II), and Ruthenium(III) Complexes of 23-Thiaazuliporphyrin: The Case of Coordination-Induced Contraction.
• Authors of publication: Białek, Michał J; Latos-Grażyński, Lechosław
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 4
• Pages of publication: 1758 - 1769
• a: 10.995 ± 0.002 Å
• b: 20.962 ± 0.004 Å
• c: 23.41 ± 0.008 Å
• α: 90°
• β: 99.31 ± 0.02°
• γ: 90°
• Cell volume: 5324 ± 2 ų
• Cell temperature: 100.1 ± 0.4 K
• Ambient diffraction temperature: 100.1 ± 0.4 K
• Number of distinct elements: 7
• 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: 0.0528
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.0848
• Weighted residual factors for all reflections included in the refinement: 0.0918
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No