Information card for entry 4505096

Structure parameters

• Common name: {[cu2(l)4(h2o)4].cl4.(h2o)5.(aceton)}n
• Formula: C31 H56 Cl4 Cu2 N16 O10
• Calculated formula: C31 H34.04 Cl4 Cu2 N16 O10
• Title of publication: Multidimensional Metal−Organic Frameworks Constructed from Flexible Bis(imidazole) Ligands
• Authors of publication: Cui, Guang-Hua; Li, Jian-Rong; Tian, Jin-Lei; Bu, Xian-He; Batten, Stuart R.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2005
• Journal volume: 5
• Journal issue: 5
• Pages of publication: 1775
• a: 12.1263 ± 0.0016 Å
• b: 12.1263 ± 0.0016 Å
• c: 17.632 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2592.7 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 138
• Hermann-Mauguin space group symbol: P 42/n c m :2
• Hall space group symbol: -P 4ac 2ac
• Residual factor for all reflections: 0.1089
• Residual factor for significantly intense reflections: 0.0586
• Weighted residual factors for significantly intense reflections: 0.1625
• Weighted residual factors for all reflections included in the refinement: 0.191
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No