Information card for entry 7025025

Structure parameters

• Formula: C27 H21 N7 O4 Ru
• Calculated formula: C27 H21 N7 O4 Ru
• SMILES: [Ru]123([n]4ccccc4c4cccc[n]14)([n]1ccccc1c1cccc[n]21)n1cnc(c1C(=O)O3)C(=O)O.CC#N
• Title of publication: Ru(II) and Os(II) mixed-chelates derived from imidazole-4,5-dicarboxylic acid and 2,2'-bipyridine as colorimetric sensors for anions: synthesis, characterization and binding studies.
• Authors of publication: Das, Shyamal; Saha, Debasish; Bhaumik, Chanchal; Dutta, Supriya; Baitalik, Sujoy
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 17
• Pages of publication: 4162 - 4169
• a: 9.2456 ± 0.0011 Å
• b: 12.1346 ± 0.0015 Å
• c: 12.4524 ± 0.0015 Å
• α: 108.25 ± 0.003°
• β: 100.483 ± 0.003°
• γ: 97.162 ± 0.003°
• Cell volume: 1279.7 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0236
• Residual factor for significantly intense reflections: 0.0215
• Weighted residual factors for significantly intense reflections: 0.0594
• Weighted residual factors for all reflections included in the refinement: 0.0613
• Goodness-of-fit parameter for all reflections included in the refinement: 0.991
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No