Information card for entry 7031454

Structure parameters

• Chemical name: poly-[μ~8~-(5,5',5'',5'''-(adamantane-1,3,5,7-tetrayl)- tetrakis-tetrazolato)-dichloro-tetrakis-(N,N-dimethylformamide-κO)- trizinc(II)], N,N-dimethylformamide disolvate
• Formula: C32 H54 Cl2 N22 O6 Zn3
• Calculated formula: C32 H54 Cl2 N22 O6 Zn3
• Title of publication: 1,3,5,7-Tetrakis(tetrazol-5-yl)-adamantane: the smallest tetrahedral tetrazole-functionalized ligand and its complexes formed by reaction with anhydrous M(ii)Cl2 (M = Mn, Cu, Zn, Cd).
• Authors of publication: Boldog, Ishtvan; Domasevitch, Konstantin V.; Sanchiz, Joaquín; Mayer, Peter; Janiak, Christoph
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 33
• Pages of publication: 12590 - 12605
• a: 15.7345 ± 0.0005 Å
• b: 20.5801 ± 0.0004 Å
• c: 15.7442 ± 0.0004 Å
• α: 90°
• β: 112.118 ± 0.001°
• γ: 90°
• Cell volume: 4723.1 ± 0.2 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0578
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.1071
• Weighted residual factors for all reflections included in the refinement: 0.1156
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No