Information card for entry 2222342

Structure parameters

• Chemical name: {2,2'-[1,1'-(Ethylenedioxydinitrilo)diethylidyne]di-1-naphtholato}nickel(II)
• Formula: C26 H22 N2 Ni O4
• Calculated formula: C26 H22 N2 Ni O4
• SMILES: [Ni]123[N](OCCO[N]1=C(C)c1c(O3)c3c(cc1)cccc3)=C(C)c1c(O2)c2c(cc1)cccc2
• Title of publication: {2,2'-[1,1'-(Ethylenedioxydinitrilo)diethylidyne]di-1-naphtholato}nickel(II)
• Authors of publication: Dong, Wen-Kui; Wu, Jian-Chao; Yao, Jian; Gong, Shang-Sheng; Tong, Jun-Feng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 7
• Pages of publication: m803
• a: 13.6975 ± 0.0013 Å
• b: 8.2711 ± 0.001 Å
• c: 19.049 ± 0.002 Å
• α: 90°
• β: 95.346 ± 0.001°
• γ: 90°
• Cell volume: 2148.7 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• 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: 0.1055
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.0959
• Weighted residual factors for all reflections included in the refinement: 0.1256
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes