Information card for entry 7013147

Structure parameters

• Formula: C39 H41 Cl2 N3 O4 Ru
• Calculated formula: C39 H41 Cl2 N3 O4 Ru
• SMILES: [Ru]12(Cl)(Cl)([n]3c(CC(c4ccccc4)(c4ccccc4)O1)cccc3CC(c1ccccc1)(c1ccccc1)O2)[O]=CN(C)C.C(=O)N(C)C
• Title of publication: Nitrido-ruthenium(vi) and -osmium(vi) complexes of multianionic chelating (N, O) ligands. Reactions with nucleophiles, electrophiles and oxidizing agentsElectronic supplementary information (ESI) available: Fig. S1?S6. See http://www.rsc.org/suppdata/dt/b3/b304920p/
• Authors of publication: Yip, Ka-Lai; Yu, Wing-Yiu; Chan, Pui-Ming; Zhu, Nian-Yong; Che, Chi-Ming
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 18
• Pages of publication: 3556
• a: 10.098 ± 0.002 Å
• b: 14.093 ± 0.003 Å
• c: 14.192 ± 0.003 Å
• α: 66.68 ± 0.02°
• β: 79.25 ± 0.02°
• γ: 87.84 ± 0.02°
• Cell volume: 1820.7 ± 0.7 ų
• Cell temperature: 301 ± 2 K
• Ambient diffraction temperature: 301 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0485
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.1204
• Weighted residual factors for all reflections included in the refinement: 0.1289
• Goodness-of-fit parameter for all reflections included in the refinement: 1.129
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No