Information card for entry 2213720

Structure parameters

• Chemical name: Hexakis(1H-imidazole-κN^3^)copper(II) dichloride tetrahydrate
• Formula: C18 H32 Cl2 Cu N12 O4
• Calculated formula: C18 H32 Cl2 Cu N12 O4
• SMILES: c1[n]([Cu]([n]2c[nH]cc2)([n]2c[nH]cc2)([n]2c[nH]cc2)([n]2c[nH]cc2)[n]2c[nH]cc2)cc[nH]1.O.O.[Cl-].O.O.[Cl-]
• Title of publication: Hexakis(1<i>H</i>-imidazole-κ<i>N</i>^3^)copper(II) dichloride tetrahydrate
• Authors of publication: Yang, Yu-Min; Zhu, Tao-Tao; Lu, Peng-Cheng; Liu, Chang-Hong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 6
• Pages of publication: m1657 - m1658
• a: 8.783 ± 0.004 Å
• b: 9.064 ± 0.004 Å
• c: 10.576 ± 0.005 Å
• α: 75.156 ± 0.005°
• β: 83.105 ± 0.006°
• γ: 61.848 ± 0.005°
• Cell volume: 717.6 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.056
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for significantly intense reflections: 0.1434
• Weighted residual factors for all reflections included in the refinement: 0.1504
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes