Information card for entry 2020628

Structure parameters

• Chemical name: <i>catena</i>-Poly[[[[bis[acetonitrilecadmium(II)]-μ-4-1,2,4,5-([2,2,2-tris(1<i>H</i>-pyrazol-1-yl)ethoxy]methyl}benzene] tetrakis(tetrafluoridoborate)]‒diethyl ether‒acetonitrile (1/2/2)],
• Formula: C70 H86 B4 Cd2 F16 N28 O6
• Calculated formula: C70 H86 B4 Cd2 F16 N28 O6
• Title of publication: A cadmium(II) coordination polymer formed from a third generation tetratopic tris(pyrazolyl)methane ligand
• Authors of publication: Semeniuc, Radu F.; Reger, Daniel L.; Smith, Mark D.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 11
• Pages of publication: 832 - 837
• a: 14.4909 ± 0.0006 Å
• b: 16.1418 ± 0.0007 Å
• c: 18.2891 ± 0.0008 Å
• α: 90°
• β: 97.687 ± 0.001°
• γ: 90°
• Cell volume: 4239.5 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• 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: 0.1128
• Residual factor for significantly intense reflections: 0.0781
• Weighted residual factors for significantly intense reflections: 0.1646
• Weighted residual factors for all reflections included in the refinement: 0.1784
• Goodness-of-fit parameter for all reflections included in the refinement: 1.135
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes