Information card for entry 2219753

Structure parameters

• Chemical name: catena-Poly[[{2-methoxy-6-[(4-methylphenyl)iminomethyl]phenolato}cadmium(II)]- di-μ~2~-chlorido-[dimethanolcadmium(II)]-di-μ~2~-chlorido-[{2-methoxy-6- [(4-methylphenyl)iminomethyl]phenolato}cadmium(II)]-di-μ~2~-chlorido]
• Formula: C32 H38 Cd3 Cl6 N2 O6
• Calculated formula: C32 H38 Cd3 Cl6 N2 O6
• SMILES: [Cd]123(Oc4c(/C=[NH+]/c5ccc(C)cc5)cccc4[O]1C)([Cl][Cd]1([OH]C)([Cl]2)([OH]C)[Cl][Cd]24(Oc5c(/C=[NH+]/c6ccc(C)cc6)cccc5[O]2C)([Cl]1)[Cl][Cd]12(Oc5c(/C=[NH+]/c6ccc(C)cc6)cccc5[O]1C)([Cl][Cd]([OH]C)([OH]C)[Cl]2)[Cl]4)[Cl][Cd]1(Cl)(Oc4c(/C=[NH+]/c5ccc(C)cc5)cccc4[O]1C)(Cl)[Cl]3
• Title of publication: <i>catena</i>-Poly[[{2-methoxy-6-[(4-methylphenyl)iminomethyl]phenolato}cadmium(II)]-di-μ~2~-chlorido-[dimethanolcadmium(II)]-di-μ~2~-chlorido-[{2-methoxy-6-[(4-methylphenyl)iminomethyl]phenolato}cadmium(II)]-di-μ~2~-chlorido]
• Authors of publication: Xian, Hui-Duo; Li, Hua-Qiong; Liu, Jian-Feng; Zhao, Guo-Liang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 11
• Pages of publication: m1445
• a: 19.7697 ± 0.0005 Å
• b: 13.9554 ± 0.0003 Å
• c: 15.1449 ± 0.0004 Å
• α: 90°
• β: 110.423 ± 0.001°
• γ: 90°
• Cell volume: 3915.74 ± 0.17 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• 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: 0.0352
• Residual factor for significantly intense reflections: 0.0258
• Weighted residual factors for significantly intense reflections: 0.0564
• Weighted residual factors for all reflections included in the refinement: 0.0598
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes