Information card for entry 2231577

Structure parameters

• Chemical name: μ-Acetato-μ-(μ-5-chloro-2-{1,3-bis[2-(5-chloro- 2-oxidobenzylideneamino)ethyl]imidazolidin-2-yl}phenolato)- bis[methanolnickel(II)] methanol monosolvate monohydrate
• Formula: C32 H41 Cl3 N4 Ni2 O9
• Calculated formula: C32 H41 Cl3 N4 Ni2 O9
• SMILES: [Ni]1234([N](=Cc5c(O2)ccc(Cl)c5)CC[N]24C4[N]5([Ni]6([O]1c1ccc(Cl)cc41)(Oc1c(cc(Cl)cc1)C=[N]6CC5)([O]3C(=O)C)[OH]C)CC2)[OH]C.O.OC
• Title of publication: μ-Acetato-μ-(5-chloro-2-{1,3-bis[2-(5-chloro-2-oxidobenzylideneamino)ethyl]imidazolidin-2-yl}phenolato)-bis[methanolnickel(II)] methanol monosolvate monohydrate
• Authors of publication: Khan, Ahmed Raza; Tesema, Yohannes; Butcher, Ray J.; Gultneh, Yilma
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 9
• Pages of publication: m1264 - m1265
• a: 16.684 ± 0.002 Å
• b: 16.042 ± 0.002 Å
• c: 13.7868 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3690 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0466
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for significantly intense reflections: 0.0598
• Weighted residual factors for all reflections included in the refinement: 0.0637
• Goodness-of-fit parameter for all reflections included in the refinement: 0.97
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes