Information card for entry 4305160

Structure parameters

• Formula: C74 H86 Cl2 N16 O18 Ru2
• Calculated formula: C74 H62 Cl2 N16 O18 Ru2
• SMILES: [Ru]123([n]4ccccc4c4cccc[n]14)([n]1ccccc1c1cccc[n]21)[n]1c2ccccc2[nH]c1c1n3c2c(cccc2)n1.[Cl-].CC(=O)O.C(=O)(C)O.O.O.O.O.O.O
• Title of publication: Ruthenium(II) 2,2'-Bibenzimidazole Complex as a Second-Sphere Receptor for Anions Interaction and Colorimeter
• Authors of publication: Ying Cui; Yan-Li Niu; Man-Li Cao; Ke Wang; Hao-Jun Mo; Yong-Rui Zhong; Bao-Hui Ye
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 5616 - 5624
• a: 13.6868 ± 0.001 Å
• b: 15.5547 ± 0.0011 Å
• c: 19.5503 ± 0.0014 Å
• α: 86.562 ± 0.001°
• β: 76.866 ± 0.001°
• γ: 75.104 ± 0.001°
• Cell volume: 3917 ± 0.5 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.1042
• Residual factor for significantly intense reflections: 0.0804
• Weighted residual factors for significantly intense reflections: 0.2021
• Weighted residual factors for all reflections included in the refinement: 0.22
• 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