Information card for entry 2213461

Structure parameters

• Chemical name: Bis[1,3-bis(benzimidazol-2-yl)propane-κ^2^N,N']copper(II) dinitrate methanol solvate
• Formula: C36 H40 Cu N10 O8
• Calculated formula: C36 H40 Cu N10 O8
• SMILES: c12ccccc2[nH]c2CCCc3[n]([Cu]4([n]12)[n]1c2ccccc2[nH]c1CCCc1[n]4c2c([nH]1)cccc2)c1c([nH+]3)cccc1.N(=O)(=O)[O-].OC.N(=O)(=O)[O-].OC
• Title of publication: Bis[1,3-bis(benzimidazol-2-yl)propane-κ^2^<i>N</i>,<i>N</i>']copper(II) dinitrate methanol disolvate
• Authors of publication: Hu, Bo; Wang, Ming; Wang, Xiao-Yan; Song, Xue-Gang; Wang, Cheng-Gang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: m1416 - m1416
• a: 14.4793 ± 0.001 Å
• b: 17.8978 ± 0.0013 Å
• c: 14.3078 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3707.8 ± 0.5 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 5
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0697
• Residual factor for significantly intense reflections: 0.0517
• Weighted residual factors for significantly intense reflections: 0.1202
• Weighted residual factors for all reflections included in the refinement: 0.1298
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes