Information card for entry 1551653

Structure parameters

• Formula: C12 H24 Cd Cl6 N4 O2
• Calculated formula: C12 H24 Cd Cl6 N4 O2
• SMILES: C(c1ccc[nH+]c1)[NH3+].O.[Cd](Cl)(Cl)([Cl-])([Cl-])([Cl-])[Cl-].C(c1ccc[nH+]c1)[NH3+].O
• Title of publication: Synthesis and Crystal Structure of Bis[3-(ammoniomethyl)pyridinium]-hexachloridocadmate Dihydrate
• Authors of publication: KEFI, R.; ZELLER, M.; NASR, C. Ben
• Journal of publication: X-ray Structure Analysis Online
• Year of publication: 2014
• Journal volume: 30
• Journal issue: 0
• Pages of publication: 1
• a: 7.7067 ± 0.0012 Å
• b: 7.784 ± 0.0011 Å
• c: 9.6014 ± 0.0016 Å
• α: 81.517 ± 0.005°
• β: 82.723 ± 0.005°
• γ: 66.728 ± 0.006°
• Cell volume: 521.84 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0174
• Residual factor for significantly intense reflections: 0.017
• Weighted residual factors for significantly intense reflections: 0.0425
• Weighted residual factors for all reflections included in the refinement: 0.0428
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No