Information card for entry 2214125

Structure parameters

• Chemical name: Bis{2-bromo-4-chloro-6-[(2-dimethylaminoethylimino)methyl]phenolato}cadmium(II) monohydrate
• Formula: C22 H28 Br2 Cd Cl2 N4 O3
• Calculated formula: C22 H28 Br2 Cd Cl2 N4 O3
• SMILES: c12cc(cc(c2O[Cd]234([N](=C1)CC[N]2(C)C)[N](=Cc1c(c(cc(c1)Cl)Br)O4)CC[N]3(C)C)Br)Cl.O
• Title of publication: Bis{2-bromo-4-chloro-6-[(2-dimethylaminoethylimino)methyl]phenolato}cadmium(II) monohydrate
• Authors of publication: Li-Zhong Li; Li-Hua Wang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 7
• Pages of publication: m2010 - m2011
• a: 12.4517 ± 0.0018 Å
• b: 9.2937 ± 0.0014 Å
• c: 23.254 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2691 ± 0.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0664
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.0764
• Weighted residual factors for all reflections included in the refinement: 0.0868
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes