Information card for entry 2019209

Structure parameters

• Chemical name: <i>catena</i>-Poly[[copper(II)-μ-[2-({2-[2-(naphthalen-2-yloxy)-1-oxidoethylidene]hydrazin-1-ylidene}methyl)phenolato]] dimethylformamide monosolvate monohydrate]
• Formula: C22 H23 Cu N3 O5
• Calculated formula: C22 H23 Cu N3 O5
• SMILES: [Cu]123(OC(=N[N]2=Cc2c(O1)cccc2)COc1cc2ccccc2cc1)[O](CC1=[N]3[N]2=Cc3c(O[Cu]2O1)cccc3)c1cc2ccccc2cc1.O=CN(C)C.O.O=CN(C)C.O
• Title of publication: A novel one-dimensional copper(II) coordination polymer and a trinuclear nickel(II) complex with a one-dimensional hydrogen-bonded structure
• Authors of publication: Chen, Xiao-Hua; Chen, Shun-Yu; Xie, Chun-Ling; Wu, Qiong-Jie
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 11
• Pages of publication: 1373 - 1377
• a: 10.874 ± 0.004 Å
• b: 22.702 ± 0.008 Å
• c: 9.137 ± 0.003 Å
• α: 90°
• β: 106.701 ± 0.008°
• γ: 90°
• Cell volume: 2160.4 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.075
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.0938
• Weighted residual factors for all reflections included in the refinement: 0.1056
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No