Information card for entry 2222575

Structure parameters

• Formula: C8 H16 Cd Cl4 N6 O2
• Calculated formula: C8 H16 Cd Cl4 N6 O2
• SMILES: [Cd](Cl)(Cl)(Cl)(Cl)/[O]=C1\[NH+]=C(N(C1)C)N.O=C1[NH+]=C(N)N(C1)C
• Title of publication: Bis(creatininium) tetrachloridocadmate(II)
• Authors of publication: Boufas, Sihem; Mouas, Toma-Nardjes; Bénard-Rocherullé, Patricia
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 8
• Pages of publication: m930 - m931
• a: 7.5203 ± 0.0004 Å
• b: 7.6761 ± 0.0003 Å
• c: 15.0757 ± 0.0007 Å
• α: 79.476 ± 0.002°
• β: 85.438 ± 0.005°
• γ: 83.214 ± 0.003°
• Cell volume: 848.14 ± 0.07 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 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: 0.0204
• Residual factor for significantly intense reflections: 0.0194
• Weighted residual factors for significantly intense reflections: 0.0468
• Weighted residual factors for all reflections included in the refinement: 0.0475
• Goodness-of-fit parameter for all reflections included in the refinement: 1.114
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes