Information card for entry 7710160

Structure parameters

• Formula: C6 H16 Br4 Cu N2
• Calculated formula: C6 H16 Br4 Cu N2
• 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: 7.20781 ± 0.00014 Å
• b: 7.23746 ± 0.00013 Å
• c: 13.4221 ± 0.0002 Å
• α: 92.2638 ± 0.0015°
• β: 97.712 ± 0.0017°
• γ: 90.2231 ± 0.0016°
• Cell volume: 693.28 ± 0.02 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0386
• Residual factor for significantly intense reflections: 0.024
• Weighted residual factors for significantly intense reflections: 0.0373
• Weighted residual factors for all reflections included in the refinement: 0.0416
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0597
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No