Information card for entry 7002477

Structure parameters

• Formula: C30 H36 Cl3 F6 N6 O11 P Ru3
• Calculated formula: C30 H36 Cl3 F6 N6 O11 P Ru3
• SMILES: [Ru]12345[n]6n(c7[n]1[n]([Ru]18([n]9ccccc9)([O]2[Ru]([n]2ccccc2)([O]=C(O4)C)(OC(=[O]5)C)([O]=C(O1)C)OC(=[O]8)C)[O]=C(O3)C)c(Cl)cc7)c(cc6C)C.[P](F)(F)(F)(F)(F)[F-].C(Cl)Cl
• Title of publication: Low-valence oxo-centred triruthenium complexes by bridging acetate substitution with pyrazolyldiazine or pyridinyltetrazine ligands
• Authors of publication: Dai, Feng-Rong; Ye, Heng-Yun; Li, Bin; Zhang, Li-Yi; Chen, Zhong-Ning
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 40
• Pages of publication: 8696 - 8703
• a: 8.01 ± 0.004 Å
• b: 13.998 ± 0.006 Å
• c: 20.935 ± 0.011 Å
• α: 106.47 ± 0.011°
• β: 97.9 ± 0.02°
• γ: 96.716 ± 0.017°
• Cell volume: 2199.4 ± 1.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.166
• Residual factor for significantly intense reflections: 0.1186
• Weighted residual factors for significantly intense reflections: 0.2389
• Weighted residual factors for all reflections included in the refinement: 0.2654
• Goodness-of-fit parameter for all reflections included in the refinement: 0.966
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No