Information card for entry 2200660

Structure parameters

• Formula: C90 H76 F36 N6 O12.5 Zn3
• Calculated formula: C90 H76 F36 N6 O12.5 Zn3
• SMILES: [Zn]1234([N](c5ccc(cc5)C(C)(C)C)=C(C)c5[n]1c(ccc5)C(=[N]2c1ccc(cc1)C(C)(C)C)C)[N](c1ccc(cc1)C(C)(C)C)=C(C)c1[n]3c(ccc1)C(=[N]4c1ccc(cc1)C(C)(C)C)C.[Zn]123([O]=C(C(F)(F)F)C=C(O1)C(F)(F)F)([O]=C(C(F)(F)F)C=C(O2)C(F)(F)F)OC(=CC(=[O]3)C(F)(F)F)C(F)(F)F.[Zn]123([O]=C(C(F)(F)F)C=C(O1)C(F)(F)F)([O]=C(C(F)(F)F)C=C(O2)C(F)(F)F)[O]=C(C(F)(F)F)C=C(O3)C(F)(F)F.CCOCC
• Title of publication: <i>mer</i>-Bis{2,6-bis[1-(4-<i>tert</i>-butylphenylimino)ethyl]pyridine}zinc(II) bis[tris(hexafluoroacetylacetonato)zincate(II)] diethyl ether hemisolvate
• Authors of publication: Coles, Simon J.; Granifo, Juan; Hursthouse, Michael B.; Osborne, Anthony G.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 11
• Pages of publication: m535 - m537
• a: 42.138 ± 0.002 Å
• b: 19.4444 ± 0.001 Å
• c: 26.255 ± 0.002 Å
• α: 90°
• β: 110.969 ± 0.01°
• γ: 90°
• Cell volume: 20087 ± 2 ų
• Cell temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.0612
• Weighted residual factors for all reflections included in the refinement: 0.129
• Goodness-of-fit parameter for all reflections included in the refinement: 0.758
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No