Information card for entry 2233927

Structure parameters

• Chemical name: {4,4'-Dibromo-6,6'-dimethoxy-2,2'-[1,2- phenylenebis(nitrilomethanylylidene)]- κ^4^<i>O</i>^1^,<i>N</i>,<i>N</i>',<i>O</i>^1'^}nickel(II)
• Formula: C22 H16 Br2 N2 Ni O4
• Calculated formula: C22 H16 Br2 N2 Ni O4
• SMILES: [Ni]123[N](c4c([N]3=Cc3c(O1)c(OC)cc(Br)c3)cccc4)=Cc1c(O2)c(OC)cc(Br)c1
• Title of publication: {4,4'-Dibromo-6,6'-dimethoxy-2,2'-[1,2-phenylenebis(nitrilomethanylylidene)]-κ^4^<i>O</i>^1^,<i>N</i>,<i>N</i>',<i>O</i>^1'^}nickel(II)
• Authors of publication: Sun, Yongling
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 3
• Pages of publication: m282
• a: 15.288 ± 0.007 Å
• b: 8.213 ± 0.003 Å
• c: 16.473 ± 0.007 Å
• α: 90°
• β: 90.171 ± 0.008°
• γ: 90°
• Cell volume: 2068.3 ± 1.5 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: 0.0902
• Residual factor for significantly intense reflections: 0.0647
• Weighted residual factors for significantly intense reflections: 0.1529
• Weighted residual factors for all reflections included in the refinement: 0.1702
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes