Information card for entry 2212490

Structure parameters

• Chemical name: catena-Poly[cyclohexylammonium [cadmium(II)-tri-μ-bromido]]
• Formula: C6 H14 Br3 Cd N
• Calculated formula: C6 H14 Br3 Cd N
• SMILES: [Cd]12[Br][Cd]([Br]1)([Br]2)(Br)(Br)Br.[NH3+]C1CCCCC1.[NH3+]C1CCCCC1
• Title of publication: <i>catena</i>-Poly[cyclohexylammonium [cadmate(II)-tri-μ-bromido]]
• Authors of publication: Rademeyer, Melanie
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 3
• Pages of publication: m829 - m831
• a: 6.8783 ± 0.0005 Å
• b: 21.3163 ± 0.0013 Å
• c: 10.0532 ± 0.0007 Å
• α: 90°
• β: 128.276 ± 0.004°
• γ: 90°
• Cell volume: 1157.14 ± 0.15 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0529
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.086
• Weighted residual factors for all reflections included in the refinement: 0.0889
• Goodness-of-fit parameter for all reflections included in the refinement: 1.179
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes