Information card for entry 2242623

Structure parameters

• Chemical name: Tetrakis(μ~2~-(<i>E</i>)-2,4-dibromo-6-{[2-(pyridin-2-yl)ethyl]iminomethyl}phenolato)trizinc bis(perchlorate) acetonitrile disolvate
• Formula: C60 H50 Br8 Cl2 N10 O12 Zn3
• Calculated formula: C60 H50 Br8 Cl2 N10 O12 Zn3
• SMILES: Brc1c2[O]3[Zn]456([O]([Zn]73[O]3[Zn]89%10([O]7c7c(Br)cc(Br)cc7C=[N]9CCc7[n]%10cccc7)[N](=Cc7c3c(Br)cc(Br)c7)CCc3[n]8cccc3)c3c(Br)cc(Br)cc3C=[N]5CCc3[n]6cccc3)[N](=Cc2cc(Br)c1)CCc1[n]4cccc1.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].N#CC.N#CC
• Title of publication: Crystal structure of tetrakis(μ~2~-(<i>E</i>)-2,4-dibromo-6-{[2-(pyridin-2-yl)ethyl]iminomethyl}phenolato)trizinc bis(perchlorate) acetonitrile disolvate
• Authors of publication: Okeke, Ugochukwu; Otchere, Raymond; Gultneh, Yilma; Butcher, Ray J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2018
• Journal volume: 74
• Journal issue: 9
• Pages of publication: 1380 - 1383
• a: 30.797 ± 0.003 Å
• b: 13.8527 ± 0.0012 Å
• c: 21.135 ± 0.003 Å
• α: 90°
• β: 132.857 ± 0.001°
• γ: 90°
• Cell volume: 6609.7 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0402
• Residual factor for significantly intense reflections: 0.0283
• Weighted residual factors for significantly intense reflections: 0.0625
• Weighted residual factors for all reflections included in the refinement: 0.0664
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes