Information card for entry 8103373

Structure parameters

• Formula: C22 H14 Cd0.5 Cl N4 Ni O2
• Calculated formula: C22 H14 Cd0.5 Cl N4 Ni O2
• Title of publication: Crystal structure of (dichloro-2k2Cl)bis[tribenzo-[d,h,l][3,7,10,14]-tetraaza[14]annulene- 1,2-diolato-1k4N,N',N'',N''':2k2O,O')cadmium(II)dinickel(II), CdCl2[Ni(C22H14N4O2)]2
• Authors of publication: Dan Wang; Xiaojian Kong; Xiaozeng Li
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2012
• Journal volume: 227
• Journal issue: 2
• Pages of publication: 191
• a: 12.66 ± 0.006 Å
• b: 10.09 ± 0.005 Å
• c: 14.706 ± 0.007 Å
• α: 90°
• β: 95.532 ± 0.007°
• γ: 90°
• Cell volume: 1869.8 ± 1.6 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 7
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.0801
• Residual factor for significantly intense reflections: 0.0546
• Weighted residual factors for significantly intense reflections: 0.0987
• Weighted residual factors for all reflections included in the refinement: 0.111
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No