Information card for entry 4343002

Structure parameters

• Formula: C103 H64 Cl2 N6 O4 Ru2
• Calculated formula: C102 H62 N6 O4 Ru2
• SMILES: c12cccccc1c1C(=c3ccc4C(=c5ccc6=C(c7ccc8=C(c2c1[O]1[Ru](C#[O])([n]78)(n56)([n]34)[O]2c3c4c5c(c3C(=c3ccc6C(=c7ccc8=C(c9ccc(=C4c4ccccc4)[n]9[Ru]12([n]36)(n78)C#[O])c1ccccc1)c1ccccc1)c1ccccc1)ccccc5)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1
• 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: 13.427 ± 0.003 Å
• b: 13.427 ± 0.003 Å
• c: 44.203 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7969 ± 3 ų
• Cell temperature: 100.02 ± 0.1 K
• Ambient diffraction temperature: 100.02 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 96
• Hermann-Mauguin space group symbol: P 43 21 2
• Hall space group symbol: P 4nw 2abw
• Residual factor for all reflections: 0.3286
• Residual factor for significantly intense reflections: 0.1055
• Weighted residual factors for significantly intense reflections: 0.1698
• Weighted residual factors for all reflections included in the refinement: 0.2643
• Goodness-of-fit parameter for all reflections included in the refinement: 0.967
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No