Information card for entry 2232781

Structure parameters

• Chemical name: <i>catena</i>-Poly[[bis[3-(1<i>H</i>-imidazol-1-yl)-1-phenylpropan-1-one- κ<i>N</i>^3^]nickel(II)]-μ-oxalato- κ^4^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^1'^,<i>O</i>^2'^]
• Formula: C26 H24 N4 Ni O6
• Calculated formula: C26 H24 N4 Ni O6
• SMILES: [Ni]1([n]2ccn(c2)CCC(=O)c2ccccc2)([n]2ccn(c2)CCC(=O)c2ccccc2)[O]=C2C(O1)=[O][Ni]1(O2)(OC(=O)C(=O)O1)([n]1cn(CCC(=O)c2ccccc2)cc1)[n]1ccn(c1)CCC(=O)c1ccccc1
• Title of publication: <i>catena</i>-Poly[[bis[3-(1<i>H</i>-imidazol-1-yl)-1-phenylpropan-1-one-κ<i>N</i>^3^]nickel(II)]-μ-oxalato-κ^4^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^1'^,<i>O</i>^2'^]
• Authors of publication: Guo, Jian-Hua
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 12
• Pages of publication: m1832
• a: 15.3065 ± 0.0011 Å
• b: 5.6605 ± 0.0004 Å
• c: 27.536 ± 0.002 Å
• α: 90°
• β: 95.613 ± 0.001°
• γ: 90°
• Cell volume: 2374.3 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.0614
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.0879
• Weighted residual factors for all reflections included in the refinement: 0.0956
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes