Information card for entry 4347063

Structure parameters

• Formula: C54.95 H40.68 Cl1.03 N2 O Pd S
• Calculated formula: C54.934 H40.675 Cl1.026 N2 O Pd 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: 10.635 ± 0.003 Å
• b: 14.695 ± 0.004 Å
• c: 15.144 ± 0.005 Å
• α: 62.24 ± 0.03°
• β: 81.23 ± 0.03°
• γ: 89.46 ± 0.04°
• Cell volume: 2064.7 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0696
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for significantly intense reflections: 0.1039
• Weighted residual factors for all reflections included in the refinement: 0.114
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No