Information card for entry 2239013

Structure parameters

• Chemical name: 1-(4-Hydroxyphenyl)piperazine-1,4-diium tetrachloridocobalt(II) monohydrate
• Formula: C10 H18 Cl4 Co N2 O2
• Calculated formula: C10 H18 Cl4 Co N2 O2
• SMILES: [Co](Cl)(Cl)([Cl-])[Cl-].[NH+]1(c2ccc(O)cc2)CC[NH2+]CC1.O
• Title of publication: 1-(4-Hydroxyphenyl)piperazine-1,4-diium tetrachloridocobalt(II) monohydrate
• Authors of publication: Mghandef, Marwa; Boughzala, Habib
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 2
• Pages of publication: m75
• a: 7.455 ± 0.001 Å
• b: 8.002 ± 0.002 Å
• c: 14.105 ± 0.001 Å
• α: 91.72 ± 0.01°
• β: 96.98 ± 0.01°
• γ: 99.19 ± 0.01°
• Cell volume: 823.4 ± 0.2 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: 0.0371
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.1015
• Weighted residual factors for all reflections included in the refinement: 0.1015
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes