Information card for entry 8105169

Structure parameters

• Formula: C25 H29 Cl F7 N2 O P Ru
• Calculated formula: C25 H29 Cl F7 N2 O P Ru
• SMILES: CC(=O)C.c1(c(cccc1)F)[N]1=Cc2cccc[n]2[Ru]234561([c]1([cH]2[cH]3[c]4([cH]5[cH]61)C)C(C)C)Cl.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Crystal structure of chlorido-(η 6-p-cymene)-(N-(2-fluorophenyl)-1-(pyridin-2-yl)methanimine-κ 2 N,N′)ruthenium(II) – acetone (1/1), C22H23ClN2F7OPRu
• Authors of publication: Gichumbi, Joel M.; Omondi, Bernard; Friedrich, Holger B.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2020
• Journal volume: 235
• Journal issue: 3
• Pages of publication: 551 - 553
• a: 7.3048 ± 0.0001 Å
• b: 12.954 ± 0.0003 Å
• c: 28.7076 ± 0.0006 Å
• α: 90°
• β: 96.699 ± 0.001°
• γ: 90°
• Cell volume: 2697.95 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• 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: 0.0205
• Residual factor for significantly intense reflections: 0.0196
• Weighted residual factors for significantly intense reflections: 0.0474
• Weighted residual factors for all reflections included in the refinement: 0.0479
• Goodness-of-fit parameter for all reflections included in the refinement: 1.136
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No