Information card for entry 7213546

Structure parameters

• Chemical name: catena-(tetra(μ~8~-(5,5',5'',5'''-(adamantane-1,3,5,7-tetrayl)- -tetrakistetrazolato))- -bis(μ~4~-chloro)-octa(N,N-dimethylformamide)-nona-copper(II), dimethylformamide solvate
• Formula: C83 H111 Cl2 Cu9 N73 O9
• Calculated formula: C83.2 H48 Cl2 Cu9 N73.44 O10
• Title of publication: A fluorite isoreticular series of porous framework complexes with tetrahedral ligands: new opportunities for azolate PCPs
• Authors of publication: Boldog, Ishtvan; Domasevitch, Konstantin; Maclaren, Jana K.; Heering, Christian; Makhloufi, Gamall; Janiak, Christoph
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 2
• Pages of publication: 148
• a: 18.6421 ± 0.0019 Å
• b: 18.6421 ± 0.0019 Å
• c: 18.6421 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6478.6 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 6
• Space group number: 225
• Hermann-Mauguin space group symbol: F m -3 m
• Hall space group symbol: -F 4 2 3
• Residual factor for all reflections: 0.0637
• Residual factor for significantly intense reflections: 0.0629
• Weighted residual factors for significantly intense reflections: 0.1674
• Weighted residual factors for all reflections included in the refinement: 0.1682
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No