Information card for entry 2014961

Structure parameters

• Chemical name: catena-Poly[[{2,4-dichloro-6-[(pyridin-2-ylmethylimino)methyl]phenolato}- copper(II)]-μ-thiocyanato]
• Formula: C14 H9 Cl2 Cu N3 O S
• Calculated formula: C14 H9 Cl2 Cu N3 O S
• SMILES: [Cu]12([N](=Cc3c(O1)c(Cl)cc(Cl)c3)Cc1[n]2cccc1)N=C=S
• Title of publication: <i>catena</i>-Poly[[[2,4-dichloro-6-(pyridin-2-ylmethyliminomethyl)phenolato]copper(II)]-μ-thiocyanato]
• Authors of publication: You, Zhong-Lu; Zhu, Hai-Liang
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 9
• Pages of publication: m421 - m423
• a: 10.499 ± 0.002 Å
• b: 12.208 ± 0.002 Å
• c: 11.886 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1523.4 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.047
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.0931
• Weighted residual factors for all reflections included in the refinement: 0.0954
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes