Information card for entry 2236765

Structure parameters

• Chemical name: Bis(4-aminopyridinium) tetraiodidocadmate monohydrate
• Formula: C10 H16 Cd I4 N4 O
• Calculated formula: C10 H16 Cd I4 N4 O
• SMILES: c1cc(cc[nH+]1)N.[I-][Cd](I)(I)[I-].O.c1cc(cc[nH+]1)N
• Title of publication: Bis(4-aminopyridinium) tetraiodidocadmate monohydrate
• Authors of publication: Sun, Qiaozhen; Liao, Songyi; Yao, Junjun; Wang, Junke; Fang, Qiongjiali
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 9
• Pages of publication: m1160 - m1161
• a: 7.3987 ± 0.0002 Å
• b: 14.7348 ± 0.0004 Å
• c: 18.7286 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2041.76 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 57
• Hermann-Mauguin space group symbol: P b c m
• Hall space group symbol: -P 2c 2b
• Residual factor for all reflections: 0.0268
• Residual factor for significantly intense reflections: 0.025
• Weighted residual factors for significantly intense reflections: 0.0634
• Weighted residual factors for all reflections included in the refinement: 0.0643
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No