Information card for entry 2005057

Structure parameters

• Chemical name: N-2-hydroxyethyl-N,N-bis[1-methyl-2-benzimidazolylmethyl]aminechlorocopper(II) chloride hydrate
• Formula: C20 H25 Cl2 Cu N5 O2
• Calculated formula: C20 H24 Cl2 Cu N5 O2
• Title of publication: {2-[Bis(1-methyl-2-benzimidazolylmethyl)amino]-ethanol}chlorocopper(II) Chloride Hydrate
• Authors of publication: Elliot, D.; Price, C. L.; Martin, L. L.; Taylor, M. R.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 6
• Pages of publication: 1421 - 1423
• a: 8.336 ± 0.002 Å
• b: 15.044 ± 0.004 Å
• c: 17.454 ± 0.006 Å
• α: 90°
• β: 99.46 ± 0.02°
• γ: 90°
• Cell volume: 2159.1 ± 1.1 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.063
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for all reflections: 0.106
• Weighted residual factors for significantly intense reflections: 0.104
• Goodness-of-fit parameter for all reflections: 1.765
• Goodness-of-fit parameter for significantly intense reflections: 1.798
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes