Information card for entry 2221920

Structure parameters

• Chemical name: Hexaaquacadmium(II) dipicrate monohydrate
• Formula: C12 H20 Cd N6 O22
• Calculated formula: C12 H20 Cd N6 O22
• SMILES: c1(cc(cc(c1[O-])N(=O)=O)N(=O)=O)N(=O)=O.[Cd]([OH2])([OH2])([OH2])([OH2])([OH2])[OH2].O.c1(cc(cc(c1[O-])N(=O)=O)N(=O)=O)N(=O)=O.O
• Title of publication: Hexaaquacadmium(II) dipicrate monohydrate
• Authors of publication: Natarajan, S.; Moovendaran, K.; Dhas, S. A. Martin Britto; Suresh, J.; Lakshman, P. L. Nilantha
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 6
• Pages of publication: m620
• a: 7.2823 ± 0.0002 Å
• b: 13.2249 ± 0.0004 Å
• c: 25.3798 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2444.27 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 56
• Hermann-Mauguin space group symbol: P b n b
• Hall space group symbol: -P 2bc 2ab
• Residual factor for all reflections: 0.0488
• Residual factor for significantly intense reflections: 0.0273
• Weighted residual factors for significantly intense reflections: 0.0742
• Weighted residual factors for all reflections included in the refinement: 0.0835
• Goodness-of-fit parameter for all reflections included in the refinement: 1.164
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes