Information card for entry 8105659

Structure parameters

• Chemical name: Bis [{[(4-fluorophenyl)amino]methyl}(triphenyl)phosphanium] tetrachloro-Cobaltate
• Formula: C50 H44 Cl4 Co F2 N2 P2
• Calculated formula: C50 H44 Cl4 Co F2 N2 P2
• SMILES: [Co](Cl)(Cl)([Cl-])[Cl-].[P+](CNc1ccc(F)cc1)(c1ccccc1)(c1ccccc1)c1ccccc1.[P+](CNc1ccc(F)cc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Crystal structure of bis[(((4-fluorophenyl)amino)methyl)triphenylphosphonium] tetrachloridocobaltate(II), C50H44Cl4CoF2N2P2
• Authors of publication: Kanchanadevi, S.; Fronczek, Frank R.; Arun, V.; Mahalingam, V.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2019
• Journal volume: 234
• Journal issue: 3
• Pages of publication: 401 - 403
• a: 18.4662 ± 0.0006 Å
• b: 15.2888 ± 0.0005 Å
• c: 33.2661 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9391.9 ± 0.5 ų
• Cell temperature: 180 ± 0.5 K
• Ambient diffraction temperature: 180 ± 0.5 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0544
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.0921
• Weighted residual factors for all reflections included in the refinement: 0.1005
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No