Information card for entry 2015147

Structure parameters

• Chemical name: Poly[bis[μ-2,4-dichloro-6-(2-pyridylmethyliminomethyl)phenolato]-di-μ- thiocyanato-dicadmium(II)]
• Formula: C14 H9 Cd Cl2 N3 O S
• Calculated formula: C14 H9 Cd Cl2 N3 O S
• SMILES: [Cd]1234([O](c5c(cc(Cl)cc5Cl)C=[N]1Cc1[n]2cccc1)[Cd]12([O]3c3c(cc(Cl)cc3Cl)C=[N]1Cc1[n]2cccc1)N=C=S)[N]#CS[Cd]12([O]3c5c(cc(Cl)cc5Cl)C=[N]1Cc1[n]2cccc1)([N]#CS4)[O]1[Cd]23([N](=Cc3c1c(Cl)cc(Cl)c3)Cc1[n]2cccc1)N=C=S
• Title of publication: <i>catena</i>-Poly[[bis[μ-2,4-dichloro-6-(2-pyridylmethyliminomethyl)phenolato]dicadmium(II)]-di-μ-thiocyanato]
• Authors of publication: You, Zhong-Lu
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 12
• Pages of publication: m532 - m534
• a: 13.131 ± 0.001 Å
• b: 7.829 ± 0.001 Å
• c: 16.911 ± 0.002 Å
• α: 90°
• β: 111.903 ± 0.001°
• γ: 90°
• Cell volume: 1613 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.035
• Residual factor for significantly intense reflections: 0.0281
• Weighted residual factors for significantly intense reflections: 0.0678
• Weighted residual factors for all reflections included in the refinement: 0.0709
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes