Information card for entry 2213324

Structure parameters

• Chemical name: {[N,N'-Bis(4-methoxybenzyl)ethane-1,2-diyldiimino]diacetato}bis(1H-imidazole- κN^3^)nickel(II)
• Formula: C28 H34 N6 Ni O6
• Calculated formula: C28 H34 N6 Ni O6
• SMILES: c1c(ccc(c1)OC)C[N]12CC[N]3([Ni]2([n]2c[nH]cc2)(OC(=O)C1)([n]1c[nH]cc1)OC(=O)C3)Cc1ccc(cc1)OC
• Title of publication: {[<i>N</i>,<i>N</i>'-Bis(4-methoxybenzyl)ethane-1,2-diyldiimino]diacetato}bis(1<i>H</i>-imidazole-κ<i>N</i>^3^)nickel(II)
• Authors of publication: Min Zhang; Hui-Li Weng; Xing-Man Xu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: m1465 - m1466
• a: 26.0085 ± 0.0012 Å
• b: 16.4458 ± 0.0008 Å
• c: 15.0304 ± 0.0007 Å
• α: 90°
• β: 105.786 ± 0.001°
• γ: 90°
• Cell volume: 6186.5 ± 0.5 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 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: 0.0767
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for significantly intense reflections: 0.1228
• Weighted residual factors for all reflections included in the refinement: 0.1314
• Goodness-of-fit parameter for all reflections included in the refinement: 0.893
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes