Information card for entry 4308892

Structure parameters

• Formula: C70 H44 Cl4 N6 Ru
• Calculated formula: C70 H44 Cl4 N6 Ru
• SMILES: [Ru]123([n]4c5=C(c6n3c(C(=c3[n]2c(C(=c2n1c(=C(c4cc5)c1ccc(Cl)cc1)cc2)c1ccc(Cl)cc1)cc3)c1ccc(Cl)cc1)cc6)c1ccc(Cl)cc1)(N=C(c1ccccc1)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: 12.145 ± 0.002 Å
• b: 20.47 ± 0.004 Å
• c: 23.446 ± 0.005 Å
• α: 90°
• β: 102.48 ± 0.03°
• γ: 90°
• Cell volume: 5691 ± 2 ų
• Cell temperature: 301 ± 2 K
• Ambient diffraction temperature: 301 ± 2 K
• Number of distinct elements: 5
• 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: 0.0853
• Residual factor for significantly intense reflections: 0.0514
• Weighted residual factors for significantly intense reflections: 0.1392
• Weighted residual factors for all reflections included in the refinement: 0.1627
• Goodness-of-fit parameter for all reflections included in the refinement: 0.975
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No