Information card for entry 2211897

Structure parameters

• Chemical name: (7,12-Diphenyl-5,6:13,14-dibenzo-8,11-diazonia-1,4-diazacyclopentadeca- 7,12-diene-2,3-dione)nickel(II)
• Formula: C30 H22 N4 Ni O2
• Calculated formula: C30 H22 N4 Ni O2
• SMILES: [Ni]123N4C(=O)C(=O)N1c1ccccc1C(=[N]2CC[N]3=C(c1ccccc41)c1ccccc1)c1ccccc1
• Title of publication: (7,12-Diphenyl-5,6:13,14-dibenzo-8,11-diazonia-1,4-diazacyclopentadeca-7,12-diene-2,3-dione)nickel(II)
• Authors of publication: Gui-Ru Deng; Yan-Hong Zhang; Guang-Ming Yang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 1
• Pages of publication: m29 - m30
• a: 15.817 ± 0.005 Å
• b: 10.363 ± 0.003 Å
• c: 16.321 ± 0.005 Å
• α: 90°
• β: 118.561 ± 0.003°
• γ: 90°
• Cell volume: 2349.7 ± 1.2 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0501
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.0844
• Weighted residual factors for all reflections included in the refinement: 0.0912
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes