Information card for entry 2010681

Structure parameters

• Chemical name: Hexakis(imidazole)nickel(II) di(p-methoxybenzoate), [Ni(Im)~6~(mB)~2~] (Im = imidazole, mB = p-methoxybenzoate)
• Formula: C34 H38 N12 Ni O6
• Calculated formula: C34 H38 N12 Ni O6
• SMILES: c1[n]([Ni]([n]2c[nH]cc2)([n]2c[nH]cc2)([n]2cc[nH]c2)([n]2cc[nH]c2)[n]2cc[nH]c2)cc[nH]1.O(c1ccc(cc1)C(=O)[O-])C.O(c1ccc(cc1)C(=O)[O-])C
• Title of publication: Hexakis(imidazole-<i>N</i>^3^)nickel(II) bis(4-methoxybenzoate)
• Authors of publication: Zuoxiang Wang; Yurong Zhang; Ibrahim Abdul Razak; S.Shanmuga Sundara Raj; Hoong-Kun Fun; Fengsheng Li; Hongchang Song
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 2
• Pages of publication: 161 - 162
• a: 9.8185 ± 0.0004 Å
• b: 10.5191 ± 0.0004 Å
• c: 10.8556 ± 0.0005 Å
• α: 61.474 ± 0.001°
• β: 76.764 ± 0.001°
• γ: 70.973 ± 0.001°
• Cell volume: 927.62 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.06
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for all reflections included in the refinement: 0.14
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes