Information card for entry 2229803

Structure parameters

• Chemical name: <i>trans</i>-Diaquabis(cyclohexane-1,2-diamine)zinc(II) dichloride
• Formula: C12 H32 Cl2 N4 O2 Zn
• Calculated formula: C12 H32 Cl2 N4 O2 Zn
• SMILES: C1CCC[C@H]2[C@H]1[NH2][Zn]1([NH2]2)([NH2][C@@H]2CCCC[C@H]2[NH2]1)([OH2])[OH2].[Cl-].[Cl-]
• Title of publication: <i>trans</i>-Diaquabis(cyclohexane-1,2-diamine)zinc(II) dichloride
• Authors of publication: Karimnejad, Kamelia; Khaledi, Hamid; Mohd Ali, Hapipah
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 4
• Pages of publication: m421
• a: 24.6478 ± 0.0004 Å
• b: 9.5107 ± 0.0002 Å
• c: 7.6723 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1798.52 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 64
• Hermann-Mauguin space group symbol: C m c a
• Hall space group symbol: -C 2ac 2
• Residual factor for all reflections: 0.0299
• Residual factor for significantly intense reflections: 0.0213
• Weighted residual factors for significantly intense reflections: 0.0493
• Weighted residual factors for all reflections included in the refinement: 0.0527
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes