Information card for entry 4347061

Structure parameters

• Formula: C52 H35 Cl3 N2 O0.9 Pd2 S
• Calculated formula: C52 H35 Cl3 N2 O0.898 Pd2 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: 13.086 ± 0.003 Å
• b: 28.335 ± 0.006 Å
• c: 16.858 ± 0.004 Å
• α: 90°
• β: 102.23 ± 0.03°
• γ: 90°
• Cell volume: 6109 ± 2 ų
• Cell temperature: 79.9 ± 0.4 K
• Ambient diffraction temperature: 79.9 ± 0.4 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: 0.1356
• Residual factor for significantly intense reflections: 0.0868
• Weighted residual factors for significantly intense reflections: 0.2121
• Weighted residual factors for all reflections included in the refinement: 0.2408
• Goodness-of-fit parameter for all reflections included in the refinement: 0.943
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No