Information card for entry 7213547

Structure parameters

• Chemical name: catena-(bis(μ~8~-(5,5',5'',5'''-((adamantane-1,3,5,7-tetrayl)- -tetra-(phen-4-yl))-tetrakistetrazolato))- -(μ~4~-chloro)-trichloro-tetra-(N,N-dimethylacetamide)- hexa-copper(ii), dimethylacetamide, methanol and water solvate
• Formula: C76 H56 Cl4 Cu6 N32
• Calculated formula: C76 H56 Cl4 Cu6 N32 O4
• 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: 18.9532 ± 0.0003 Å
• b: 18.9532 ± 0.0003 Å
• c: 31.3238 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11252.3 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 139
• Hermann-Mauguin space group symbol: I 4/m m m
• Hall space group symbol: -I 4 2
• Residual factor for all reflections: 0.0732
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.1568
• Weighted residual factors for all reflections included in the refinement: 0.1673
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No