Information card for entry 2230030

Structure parameters

• Chemical name: [N,N,N',N'-Tetrakis(benzimidazol-2-ylmethyl)cyclohexane- 1,2-<i>trans</i>-diamine]iron(II) bis(perchlorate) methanol solvate
• Formula: C39 H42 Cl2 Fe N10 O9
• Calculated formula: C39 H42 Cl2 Fe N10 O9
• Title of publication: [<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-Tetrakis(benzimidazol-2-ylmethyl)cyclohexane-1,2-<i>trans</i>-diamine]iron(II) bis(perchlorate) methanol solvate
• Authors of publication: Wu, Gui-Ling; Ou, Chun-Ping; Wang, Feng; Zhang, Jian-Ming; Lan, She-Min
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 5
• Pages of publication: m531
• a: 14.3867 ± 0.0006 Å
• b: 15.9145 ± 0.0006 Å
• c: 18.8218 ± 0.0008 Å
• α: 90°
• β: 103.175 ± 0.001°
• γ: 90°
• Cell volume: 4196 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0784
• Residual factor for significantly intense reflections: 0.0564
• Weighted residual factors for significantly intense reflections: 0.1577
• Weighted residual factors for all reflections included in the refinement: 0.1756
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes