Information card for entry 4308893

Structure parameters

• Formula: C57 H39 N5 O Ru
• Calculated formula: C57 H39 N5 O Ru
• SMILES: [Ru]123(O)([n]4c5=C(c6n3c(C(=c3[n]2c(C(=c2n1c(=C(c4cc5)c1ccccc1)cc2)c1ccccc1)cc3)c1ccccc1)cc6)c1ccccc1)N=C(c1ccccc1)c1ccccc1
• Title of publication: Tuning the Reactivity of Dioxoruthenium(VI) Porphyrins toward an Arylimine by Altering Porphyrin Substituents
• Authors of publication: Jie-Sheng Huang; Sarana Ka-Yan Leung; Zhong-Yuan Zhou; Nianyong Zhu; Chi-Ming Che
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 3780 - 3788
• a: 12.9343 ± 0.0014 Å
• b: 30.942 ± 0.004 Å
• c: 11.1807 ± 0.0012 Å
• α: 90°
• β: 101.492 ± 0.003°
• γ: 90°
• Cell volume: 4385 ± 0.9 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• 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: 0.1804
• Residual factor for significantly intense reflections: 0.0629
• Weighted residual factors for significantly intense reflections: 0.1221
• Weighted residual factors for all reflections included in the refinement: 0.1596
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No