Information card for entry 2011835

Structure parameters

• Formula: C21 H21 Cl3 N2 Ni O2
• Calculated formula: C21 H21 Cl3 N2 Ni O2
• SMILES: [Ni]123[N](=Cc4ccccc4O2)[C@H]2[C@H]([N]1=Cc1ccccc1O3)CCCC2.C(Cl)(Cl)Cl.[Ni]123[N](=Cc4ccccc4O2)[C@@H]2[C@@H]([N]1=Cc1ccccc1O3)CCCC2.C(Cl)(Cl)Cl
• Title of publication: <i>trans</i>-[<i>N</i>,<i>N</i>'-Bis(salicylidene)cyclohexane-1,2-diaminato]nickel(II)‒chloroform (1/1)
• Authors of publication: de Castro, B.; Freire, C.; Duarte, M. Teresa; Minas da Piedade, M.F.; Santos, I.C.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 4
• Pages of publication: 370 - 372
• a: 13.249 ± 0.004 Å
• b: 10.086 ± 0.009 Å
• c: 16.695 ± 0.005 Å
• α: 90°
• β: 101.99 ± 0.02°
• γ: 90°
• Cell volume: 2182 ± 2 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: 0.066
• Residual factor for significantly intense reflections: 0.0501
• Weighted residual factors for all reflections included in the refinement: 0.156
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes