Information card for entry 2216928

Structure parameters

• Chemical name: Bis{μ-4,4',6,6'-tetrabromo-2,2'-[o- phenylenebis(nitrilomethylidyne)]diphenolato}bis[(dimethylformamide)cadmium(II)]
• Formula: C46 H34 Br8 Cd2 N6 O6
• Calculated formula: C46 H34 Br8 Cd2 N6 O6
• SMILES: c12ccccc1[N]1=Cc3c([O]4[Cd]51([N]2=Cc1c(O5)c(Br)cc(Br)c1)([O]=CN(C)C)[O]1c2c(C=[N]5c6c(cccc6)[N]6=Cc7c(O[Cd]4156[O]=CN(C)C)c(Br)cc(Br)c7)cc(Br)cc2Br)c(Br)cc(Br)c3
• Title of publication: Bis{μ-4,4',6,6'-tetrabromo-2,2'-[<i>o</i>-phenylenebis(nitrilomethylidyne)]diphenolato}bis[(dimethylformamide)cadmium(II)]
• Authors of publication: Shaomin Shi; Xuegang Song; Zongqiu Hu; Xieqing Yu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 1
• Pages of publication: m36 - m36
• a: 9.6831 ± 0.0008 Å
• b: 12.0433 ± 0.001 Å
• c: 12.4877 ± 0.001 Å
• α: 95.942 ± 0.001°
• β: 108.822 ± 0.001°
• γ: 90.313 ± 0.001°
• Cell volume: 1369.82 ± 0.19 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1151
• Residual factor for significantly intense reflections: 0.0593
• Weighted residual factors for significantly intense reflections: 0.1666
• Weighted residual factors for all reflections included in the refinement: 0.2095
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes