Information card for entry 2207861

Structure parameters

• Chemical name: [N,N,N',N'-Tetrakis(benzimidazol-2-ylmethyl)ethane-1,2-diamine]nickel(II) dinitrate methanol solvate
• Formula: C35 H36 N12 Ni O7
• Calculated formula: C35 H36 N12 Ni O7
• SMILES: [Ni]12345[n]6c([nH]c7ccccc67)C[N]1(Cc1[n]2c2c([nH]1)cccc2)CC[N]3(Cc1[n]4c2c([nH]1)cccc2)Cc1[n]5c2c([nH]1)cccc2.N(=O)(=O)[O-].N(=O)(=O)[O-].OC
• Title of publication: [<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-Tetrakis(benzimidazol-2-ylmethyl)ethane-1,2-diamine]nickel(II) dinitrate methanol solvate
• Authors of publication: Bing Li; Yu-Hu Wang; Wen Gu; Xin Liu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 1
• Pages of publication: m83 - m84
• a: 11.718 ± 0.004 Å
• b: 12.103 ± 0.004 Å
• c: 14.528 ± 0.005 Å
• α: 91.409 ± 0.005°
• β: 103.988 ± 0.005°
• γ: 113.291 ± 0.005°
• Cell volume: 1819.6 ± 1.1 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: 0.0777
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.1
• Weighted residual factors for all reflections included in the refinement: 0.1194
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes