Information card for entry 2219922

Structure parameters

• Chemical name: [<i>N</i>,<i>N</i>,<i>N'</i>,<i>N'</i>-Tetrakis(benzimidazol-2- ylmethyl)cyclohexane-1,2-diamine]nickel(II) dinitrate dihydrate
• Formula: C38 H42 N12 Ni O8
• Calculated formula: C38 H38 N12 Ni O8
• Title of publication: [<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-Tetrakis(benzimidazol-2-ylmethyl)cyclohexane-1,2-diamine]nickel(II) dinitrate dihydrate
• Authors of publication: Zhan, Dan; Xiao, Zuo-An
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 11
• Pages of publication: m1361 - m1362
• a: 15.3395 ± 0.0016 Å
• b: 13.1695 ± 0.0014 Å
• c: 19.606 ± 0.002 Å
• α: 90°
• β: 98.501 ± 0.002°
• γ: 90°
• Cell volume: 3917.2 ± 0.7 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 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: 0.0835
• Residual factor for significantly intense reflections: 0.0558
• Weighted residual factors for significantly intense reflections: 0.1218
• Weighted residual factors for all reflections included in the refinement: 0.1332
• Goodness-of-fit parameter for all reflections included in the refinement: 0.953
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes