Information card for entry 1514373

Structure parameters

• Formula: C39 H42 Cl F6 N3 O4 P2 Ru
• Calculated formula: C39 H42 Cl F6 N3 O4 P2 Ru
• SMILES: [Ru]123([P](c4ccccc4)(c4ccccc4)c4ccccc4)(Cl)[n]4ccccc4C[O]3Cc3[n]1c(ccc3)COCc1[n]2cccc1.[P](F)(F)(F)(F)(F)[F-].OC.OC
• Title of publication: Pyridyl- and benzimidazole-based ruthenium(iii) complex for selective chloride recognition through fluorescence spectroscopy
• Authors of publication: Sharma, Hemant; Guadalupe, Hernández J.; Narayanan, Jayanthi; Hofeld, Herbert; Pandiyan, Thangarasu; Singh, Narinder
• Journal of publication: Analytical Methods
• Year of publication: 2013
• Journal volume: 5
• Journal issue: 16
• Pages of publication: 3880
• a: 10.2059 ± 0.0015 Å
• b: 12.2904 ± 0.0018 Å
• c: 16.59 ± 0.002 Å
• α: 88.423 ± 0.002°
• β: 79.612 ± 0.002°
• γ: 67.58 ± 0.002°
• Cell volume: 1890.2 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0523
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for significantly intense reflections: 0.1298
• Weighted residual factors for all reflections included in the refinement: 0.133
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No