Information card for entry 4343001

Structure parameters

• Chemical name: Carbonyl ruthenium(II) 5,10,15,20-tetraphenyl-21-hydroxyazuliporphyrin
• Formula: C61 H56 N3 O4.5 Ru
• Calculated formula: C58.66 H50.235 N3 O3.915 Ru
• Title of publication: Oxidation and Oxygenation of Carbonyl Ruthenium(II) Azuliporphyrin.
• Authors of publication: Białek, Michał J; Białońska, Agata; Latos-Grażyński, Lechosław
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 13
• Pages of publication: 6184 - 6194
• a: 13.666 ± 0.003 Å
• b: 13.913 ± 0.003 Å
• c: 14.58 ± 0.004 Å
• α: 73.2 ± 0.02°
• β: 67.95 ± 0.03°
• γ: 83.27 ± 0.03°
• Cell volume: 2459.6 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1888
• Residual factor for significantly intense reflections: 0.1108
• Weighted residual factors for significantly intense reflections: 0.2447
• Weighted residual factors for all reflections included in the refinement: 0.2935
• Goodness-of-fit parameter for all reflections included in the refinement: 0.854
• Diffraction radiation wavelength: 1.54175 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No