Information card for entry 2243940

Structure parameters

• Chemical name: Dichloridobis{(2<i>S</i>,5<i>R</i>)-2-methyl-5-(prop-1-en-2-yl)-2-[(pyridin-2-yl)methylamino]cyclohexan-1-one oxime}dinickel(II)
• Formula: C32 H46 Cl4 N6 Ni2 O2
• Calculated formula: C32 H46 Cl4 N6 Ni2 O2
• SMILES: [Ni]123([Cl][Ni]45([Cl]1)(Cl)[N](O)=C1C[C@H](C(=C)C)CC[C@@]1([NH]4Cc1[n]5cccc1)C)(Cl)[n]1c(cccc1)C[NH]3[C@@]1(C(=[N]2O)C[C@H](C(=C)C)CC1)C
• Title of publication: Synthesis and crystal structure of a new chiral α-aminooxime nickel(II) complex
• Authors of publication: Homrani, Yasmina; Dahdouh, Abdelaziz; El Amrani, Mohamed Amin; Loxq, Pauline; Capet, Frédéric; Suisse, Isabelle; Sauthier, Mathieu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2021
• Journal volume: 77
• Journal issue: 11
• a: 13.3729 ± 0.0009 Å
• b: 8.9363 ± 0.0007 Å
• c: 16.4248 ± 0.0016 Å
• α: 90°
• β: 114.014 ± 0.002°
• γ: 90°
• Cell volume: 1792.9 ± 0.3 ų
• Cell temperature: 100.02 K
• Ambient diffraction temperature: 100.02 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0524
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.1036
• Weighted residual factors for all reflections included in the refinement: 0.1088
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes