Information card for entry 4339266

Structure parameters

• Formula: C26 H23 N11 O Ru
• Calculated formula: C26 H23 N11 O Ru
• SMILES: [Ru]123([n]4c([nH]cc4)c4n1ccn4)([n]1ccccc1c1[n]3cccc1)[n]1c(c3[n]2cccc3)cccc1.O.N(#N)=[N-]
• Title of publication: Anion-selective interaction and colorimeter by an optical metalloreceptor based on ruthenium(II) 2,2'-biimidazole: hydrogen bonding and proton transfer.
• Authors of publication: Cui, Ying; Mo, Hao-Jun; Chen, Jin-Can; Niu, Yan-Li; Zhong, Yong-Rui; Zheng, Kang-Cheng; Ye, Bao-Hui
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 16
• Pages of publication: 6427 - 6436
• a: 12.1028 ± 0.0012 Å
• b: 19.068 ± 0.002 Å
• c: 12.8736 ± 0.0013 Å
• α: 90°
• β: 117.028 ± 0.002°
• γ: 90°
• Cell volume: 2646.4 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0631
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.0654
• Weighted residual factors for all reflections included in the refinement: 0.0694
• Goodness-of-fit parameter for all reflections included in the refinement: 0.969
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No