Information card for entry 4504840

Structure parameters

• Chemical name: Bis(N-methylethylenediammonium hydrate)dodecachloro- Tetracadmate(II) dihydrate
• Formula: C3 H16 Cd2 Cl6 N2 O2
• Calculated formula: C3 H5.5 Cd2 Cl6 N2 O2
• 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: 6.7129 ± 0.0008 Å
• b: 9.6624 ± 0.0011 Å
• c: 13.4553 ± 0.0016 Å
• α: 106.402 ± 0.002°
• β: 97.426 ± 0.002°
• γ: 107.732 ± 0.002°
• Cell volume: 775.01 ± 0.16 ų
• Cell temperature: 303 ± 2 K
• Ambient diffraction temperature: 303 ± 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: 0.0499
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for significantly intense reflections: 0.072
• Weighted residual factors for all reflections included in the refinement: 0.0798
• Goodness-of-fit parameter for all reflections included in the refinement: 1.203
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No