Information card for entry 2021246

Structure parameters

• Chemical name: Dichloridobis{μ-2-methoxy-6-[(methylimino)methyl]phenolato}{2-methoxy-6-[(methylimino)methyl]phenolato}cadmium(II)cobalt(III) monohydrate
• Formula: C27 H32 Cd Cl2 Co N3 O7
• Calculated formula: C27 H32 Cd Cl2 Co N3 O7
• SMILES: [Cd]12(Cl)(Cl)[O]3[Co]45([N](=Cc6c3c([O]1C)ccc6)C)(Oc1c(OC)cccc1C=[N]4C)[O]2c1c(OC)cccc1C=[N]5C.O
• Title of publication: Crystal structure of dichloridobis{μ-2-methoxy-6-[(methylimino)methyl]phenolato}{2-methoxy-6-[(methylimino)methyl]phenolato}cadmium(II)cobalt(III) monohydrate
• Authors of publication: Vassilyeva, Olga Yu.; Kasyanova, Katerina V.; Kokozay, Vladimir N.; Skelton, Brian W.
• Journal of publication: Acta Crystallographica Section E Crystallographic Communications
• Year of publication: 2018
• Journal volume: 74
• Journal issue: 11
• Pages of publication: 1532
• a: 9.4036 ± 0.0002 Å
• b: 21.1588 ± 0.0004 Å
• c: 15.0319 ± 0.0003 Å
• α: 90°
• β: 102.221 ± 0.002°
• γ: 90°
• Cell volume: 2923.1 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0574
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.1095
• Weighted residual factors for all reflections included in the refinement: 0.1173
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes