Information card for entry 4345702

Structure parameters

• Formula: C50 H53 F13 N10 O3 P2 Ru
• Calculated formula: C50 H39 F13 N10 O3 P2 Ru
• SMILES: [Ru]123([n]4c5c6[n]2cccc6ccc5ccc4)([n]2c4c5[n]1cccc5ccc4ccc2)[n]1c(cccc1)c1cn(n[n]31)CCNC(=O)Nc1ccc(cc1)F.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].O1CCCC1.O(C(C)C)C(C)C
• Title of publication: Bis-Heteroleptic Ruthenium(II) Complex of Pendant Urea Functionalized Pyridyl Triazole and Phenathroline for Recognition, Sensing, and Extraction of Oxyanions.
• Authors of publication: Ghosh, Tamal Kanti; Chakraborty, Sourav; Chowdhury, Bijit; Ghosh, Pradyut
• Journal of publication: Inorganic chemistry
• Year of publication: 2017
• Journal volume: 56
• Journal issue: 9
• Pages of publication: 5371 - 5382
• a: 11.481 ± 0.0016 Å
• b: 14.428 ± 0.002 Å
• c: 16.881 ± 0.003 Å
• α: 80.963 ± 0.004°
• β: 82.957 ± 0.004°
• γ: 83.381 ± 0.004°
• Cell volume: 2727.6 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1078
• Residual factor for significantly intense reflections: 0.0625
• Weighted residual factors for significantly intense reflections: 0.15
• Weighted residual factors for all reflections included in the refinement: 0.1756
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No