Information card for entry 2011757

Structure parameters

• Chemical name: μ-[1,3-bis(5-chlorosalicylideneamino)propanol]-O,N,O':O',N',O''-μ-(3,5- dimethylpyrazolato)-N:N'-dinickel(II)
• Formula: C22 H20 Cl2 N4 Ni2 O3
• Calculated formula: C22 H20 Cl2 N4 Ni2 O3
• SMILES: c12C=[N]3CC4[O]5[Ni]3(Oc1ccc(c2)Cl)n1c(cc([n]1[Ni]15Oc2ccc(cc2C=[N]1C4)Cl)C)C
• Title of publication: A dinuclear pyrazolato-<i>N</i>:<i>N</i>'-bridged dinickel(II) complex of 1,3-bis(5-chlorosalicylideneamino)propan-2-ol
• Authors of publication: Elerman, Yalc̨ın; Kara, Hülya; Prout, Keith; Chipindale, Ann
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 2
• Pages of publication: 149 - 150
• a: 7.492 ± 0.003 Å
• b: 28.929 ± 0.007 Å
• c: 10.334 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2239.8 ± 1.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.154
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for all reflections included in the refinement: 0.155
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes