Information card for entry 7119434

Structure parameters

• Formula: C44 H54 Cr2 Cu4 N12 O23
• Calculated formula: C44 H46 Cr2 Cu4 N12 O23
• 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: 9.6691 ± 0.0003 Å
• b: 17.4598 ± 0.0005 Å
• c: 20.4487 ± 0.0006 Å
• α: 90°
• β: 94.891 ± 0.002°
• γ: 90°
• Cell volume: 3439.59 ± 0.18 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: 0.0703
• Residual factor for significantly intense reflections: 0.0579
• Weighted residual factors for significantly intense reflections: 0.1699
• Weighted residual factors for all reflections included in the refinement: 0.1779
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No