Information card for entry 7200654

Structure parameters

• Formula: C18 H18 N12 O4 Ru S
• Calculated formula: C18 H18 N12 O4 Ru S
• SMILES: S(=O)(=O)([O-])[O-].[Ru]123([n]4cc[nH]c4c4[n]1cc[nH]4)([n]1cc[nH]c1c1[n]2cc[nH]1)[n]1cc[nH]c1c1[n]3cc[nH]1
• Title of publication: pH-Dependent formation of (6,3) and (10,3) hydrogen-bonded networks based on [Ru(H2biim)3]SO4: polymorphs and topological isomers
• Authors of publication: Yang, Li-Fei; Cao, Man-Li; Mo, Hao-Jun; Hao, Hong-Guo; Wu, Jin-Ji; Zhang, Jie-Peng; Ye, Bao-Hui
• Journal of publication: CrystEngComm
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 6
• Pages of publication: 1114
• a: 12.6267 ± 0.001 Å
• b: 12.6267 ± 0.001 Å
• c: 14.244 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2271 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 80
• Hermann-Mauguin space group symbol: I 41
• Hall space group symbol: I 4bw
• Residual factor for all reflections: 0.0789
• Residual factor for significantly intense reflections: 0.0782
• Weighted residual factors for significantly intense reflections: 0.2459
• Weighted residual factors for all reflections included in the refinement: 0.2472
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No