Information card for entry 4504841

Structure parameters

• Chemical name: (N-methylethylenediammonium hydrate)octabromide- tricadmate(II) hydrate
• Formula: C3 H13 Br8 Cd3 N2 O1.59
• Calculated formula: C3 H12 Br8 Cd3 N2 O1.619
• Title of publication: Retro-Crystal Engineering Analysis of TwoN-Methylethylenediammonium Cadmium Halide Salts Obtained by Dimensional Reduction and Recombination of the Hexagonal CdX2Lattice
• Authors of publication: Thorn, Adrienne; Willett, Roger D.; Twamley, Brendan
• Journal of publication: Crystal Growth & Design
• Year of publication: 2005
• Journal volume: 5
• Journal issue: 2
• Pages of publication: 673
• a: 8.0197 ± 0.0008 Å
• b: 10.3911 ± 0.001 Å
• c: 13.4772 ± 0.0013 Å
• α: 76.223 ± 0.002°
• β: 81.478 ± 0.002°
• γ: 67.596 ± 0.002°
• Cell volume: 1006.39 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0684
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.0837
• Weighted residual factors for all reflections included in the refinement: 0.0961
• Goodness-of-fit parameter for all reflections included in the refinement: 0.941
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No