Information card for entry 2018840

Structure parameters

• Chemical name: Diaquatetrakis[1,4-bis(pyridazin-4-yl)benzene-κ<i>N</i>^2^]cadmium(II) hexaiodidodicadmate(II)
• Formula: C56 H44 Cd3 I6 N16 O2
• Calculated formula: C56 H44 Cd3 I6 N16 O2
• Title of publication: Cadmium(II) iodide and thiocyanate complexes adopted by polycyclic 1,4-bis(pyridazin-4-yl)benzene: interplay of coordination and π‒π stacking interactions
• Authors of publication: Degtyarenko, Anna S.; Domasevitch, Konstantin V.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 3
• Pages of publication: 219 - 224
• a: 8.071 ± 0.0003 Å
• b: 13.0867 ± 0.0005 Å
• c: 15.2422 ± 0.0007 Å
• α: 81.885 ± 0.002°
• β: 81.742 ± 0.003°
• γ: 79.87 ± 0.002°
• Cell volume: 1557.26 ± 0.11 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0446
• Residual factor for significantly intense reflections: 0.0292
• Weighted residual factors for significantly intense reflections: 0.0557
• Weighted residual factors for all reflections included in the refinement: 0.0611
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes