Information card for entry 7710163

Structure parameters

• Formula: C3 H8 Br2 Cu N
• Calculated formula: C3 H8 Br2 Cu N
• Title of publication: Templating Effect of Trans-2,5-dimethylpiperazine (TDMP) on the Structure Dimensionality of Hybrid Metal Halides
• Authors of publication: Gautier, Romain; PARIS, Michael; Massuyeau, Florian
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 8.015 ± 0.0004 Å
• b: 7.804 ± 0.0002 Å
• c: 12.2864 ± 0.0002 Å
• α: 90°
• β: 117.617 ± 0.002°
• γ: 90°
• Cell volume: 680.94 ± 0.04 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 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: 0.0475
• Residual factor for significantly intense reflections: 0.0308
• Weighted residual factors for significantly intense reflections: 0.0624
• Weighted residual factors for all reflections included in the refinement: 0.0689
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No