Information card for entry 7031452

Structure parameters

• Chemical name: poly[[pentakis-(N,N-dimethylformamide)(μ~10~- 1,3,5,7-tetrakis(5-tetrazolato)adamantane-tris-(μ-chlorido)-chlorido- tetracopper(II)] N,N-dimethylformamide solvate]
• Formula: C32 H54 Cl4 Cu4 N22 O6
• Calculated formula: C29 H47 Cl4 Cu4 N21 O5
• 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: 19.6939 ± 0.0004 Å
• b: 27.4554 ± 0.0004 Å
• c: 41.4894 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 22433.5 ± 0.7 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 6
• Space group number: 70
• Hermann-Mauguin space group symbol: F d d d :2
• Hall space group symbol: -F 2uv 2vw
• Residual factor for all reflections: 0.0747
• Residual factor for significantly intense reflections: 0.0681
• Weighted residual factors for significantly intense reflections: 0.1931
• Weighted residual factors for all reflections included in the refinement: 0.1989
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No