Information card for entry 8106027

Structure parameters

• Formula: C30 H34 F6 N4 O9 S2 Zn
• Calculated formula: C30 H34 F6 N4 O9 S2 Zn
• Title of publication: Crystal structure of aqua-bis{[2,6-dimethyl-N-(pyridin-2-ylmethylene)aniline-κ2 N,N′]}zinc(II) triflate monohydrate [ZnC29H31N4O]CF3SO3⋅H2O
• Authors of publication: Njogu, Eric M.; Omondi, Bernard; Nyamori, Vincent O.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2018
• Journal volume: 233
• Journal issue: 1
• Pages of publication: 7 - 8
• a: 13.8335 ± 0.0003 Å
• b: 15.9222 ± 0.0003 Å
• c: 17.3099 ± 0.0003 Å
• α: 90°
• β: 105.655 ± 0.001°
• γ: 90°
• Cell volume: 3671.24 ± 0.12 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0318
• Residual factor for significantly intense reflections: 0.0301
• Weighted residual factors for significantly intense reflections: 0.079
• Weighted residual factors for all reflections included in the refinement: 0.0806
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No