Information card for entry 2013948

Structure parameters

• Chemical name: chloro[2-(4-imidazolyl-κN^1^)ethylamine-κN](1,10-phenanthroline- κ^2^N,N')copper(II) chloride monohydrate
• Formula: C17 H19 Cl2 Cu N5 O
• Calculated formula: C17 H19 Cl2 Cu N5 O
• SMILES: [Cu]12(Cl)([n]3c[nH]cc3CC[NH2]1)[n]1cccc3ccc4ccc[n]2c4c13.[Cl-].O
• Title of publication: Chloro(histamine)(1,10-phenanthroline)copper(II) chloride monohydrate
• Authors of publication: Bivián-Castro, Egla Y.; Bernès, Sylvain; Escalante, Jaime; Mendoza-Díaz, Guillermo
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 5
• Pages of publication: m205 - m207
• a: 18.2744 ± 0.0014 Å
• b: 12.649 ± 0.0011 Å
• c: 17.76 ± 0.002 Å
• α: 90°
• β: 111.621 ± 0.007°
• γ: 90°
• Cell volume: 3816.4 ± 0.6 ų
• Cell temperature: 296 ± 1 K
• Ambient diffraction temperature: 296 ± 1 K
• Number of distinct elements: 6
• 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: 0.047
• Residual factor for significantly intense reflections: 0.0327
• Weighted residual factors for significantly intense reflections: 0.0822
• Weighted residual factors for all reflections included in the refinement: 0.0899
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes