Information card for entry 2213970

Structure parameters

• Chemical name: 2,6-bis(3,5-dichlorosalicylaldimine)-1,1'-spiro[4,4]nonane
• Formula: C23 H22 Cl4 N2 O2
• Calculated formula: C23 H22 Cl4 N2 O2
• SMILES: Clc1c(O)c(/C=N/[C@@H]2C3(CCC2)[C@@H](/N=C/c2c(O)c(Cl)cc(Cl)c2)CCC3)cc(Cl)c1.Clc1c(O)c(/C=N/[C@H]2C3(CCC2)[C@H](/N=C/c2c(O)c(Cl)cc(Cl)c2)CCC3)cc(Cl)c1
• Title of publication: A new salen ligand: 2,2'-[(spiro[4.4]nonane-1,6-diyl)dinitrilomethylidyne]bis(4,6-dichlorophenol)
• Authors of publication: Man Jiang; Lin-Tao Yu; Hui Ye; Xiang-Ge Zhou
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 6
• Pages of publication: o3049 - o3050
• a: 8.052 ± 0.002 Å
• b: 33.489 ± 0.006 Å
• c: 8.881 ± 0.003 Å
• α: 90°
• β: 107.31 ± 0.005°
• γ: 90°
• Cell volume: 2286.3 ± 1 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1676
• Residual factor for significantly intense reflections: 0.0864
• Weighted residual factors for significantly intense reflections: 0.2366
• Weighted residual factors for all reflections included in the refinement: 0.2773
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes