Information card for entry 2227913

Structure parameters

• Chemical name: Dichlorido(2-{[2-(piperazin-4-ium-1-yl)ethyl]iminomethyl}phenolate)cadmium(II)
• Formula: C13 H19 Cd Cl2 N3 O
• Calculated formula: C13 H19 Cd Cl2 N3 O
• SMILES: [Cd]12(Cl)(Cl)Oc3ccccc3C=[N]1CC[N]12CC[NH2+]CC1
• Title of publication: Dichlorido(2-{[2-(piperazin-4-ium-1-yl)ethyl]iminomethyl}phenolate)cadmium(II)
• Authors of publication: Saleh Salga, Muhammad; Khaledi, Hamid; Mohd Ali, Hapipah
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 9
• Pages of publication: m1131
• a: 14.7512 ± 0.0016 Å
• b: 13.1406 ± 0.0015 Å
• c: 16.6188 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3221.4 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0196
• Residual factor for significantly intense reflections: 0.0169
• Weighted residual factors for significantly intense reflections: 0.0428
• Weighted residual factors for all reflections included in the refinement: 0.0445
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes