Information card for entry 7119435

Structure parameters

• Formula: C22 H21 Br Cu2 N6 O5
• Calculated formula: C22 H21 Br Cu2 N6 O5
• Title of publication: An unusual porous cationic metal-organic framework based on a tetranuclear hydroxyl-copper(ii) cluster for fast and highly efficient dichromate trapping through a single-crystal to single-crystal process.
• Authors of publication: Lv, Xiu-Xiu; Shi, Lu-Lu; Li, Ke; Li, Bao-Long; Li, Hai-Yan
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2017
• Journal volume: 53
• Journal issue: 11
• Pages of publication: 1860 - 1863
• a: 9.6552 ± 0.0002 Å
• b: 17.1958 ± 0.0005 Å
• c: 20.8804 ± 0.0006 Å
• α: 90°
• β: 94.231 ± 0.002°
• γ: 90°
• Cell volume: 3457.3 ± 0.16 ų
• Cell temperature: 223.01 ± 0.1 K
• Ambient diffraction temperature: 223.01 ± 0.1 K
• Number of distinct elements: 6
• 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: 0.0815
• Residual factor for significantly intense reflections: 0.066
• Weighted residual factors for significantly intense reflections: 0.2029
• Weighted residual factors for all reflections included in the refinement: 0.2118
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No