Information card for entry 2215225

Structure parameters

• Chemical name: [4',4''-Dichloro-7,12-diphenyl-5,6:13,14-dibenzo-1,4,8,11- tetraazacyclopentadeca-5,7,11,13-tetraene-2,3-dione(2-)]nickel(II)
• Formula: C31 H22 Cl2 N4 Ni O2
• Calculated formula: C31 H22 Cl2 N4 Ni O2
• Title of publication: [4',4''-Dichloro-7,12-diphenyl-5,6:13,14-dibenzo-1,4,8,11-tetraazacyclopentadeca-5,7,11,13-tetraene-2,3-dione(2‒)]nickel(II)
• Authors of publication: Zhang, Rui-Hong; Yang, Guang-Ming
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 9
• Pages of publication: m2335 - m2335
• a: 11.7341 ± 0.0017 Å
• b: 14.9 ± 0.002 Å
• c: 16.235 ± 0.002 Å
• α: 90°
• β: 106.582 ± 0.002°
• γ: 90°
• Cell volume: 2720.4 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0733
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.0796
• Weighted residual factors for all reflections included in the refinement: 0.0945
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes