Information card for entry 7218200

Structure parameters

• Formula: C66 H74 N6 O10 Zn2
• Calculated formula: C66 H74 N6 O10 Zn2
• SMILES: [Zn]123([n]4ccc(cc4)c4nc(cc(c4)c4ccc(cc4)OCCCCCCCC)c4ccncc4)[O]=C(C)O[Zn]([n]4ccc(cc4)c4nc(cc(c4)c4ccc(cc4)OCCCCCCCC)c4ccncc4)([O]=C(C)O1)([O]=C(C)O2)OC(C)=[O]3
• Title of publication: Greasy tails switch 1D-coordination [{Zn2(OAc)4(4′-(4-ROC6H4)-4,2′:6′,4′′-tpy)}n] polymers to discrete [Zn2(OAc)4(4′-(4-ROC6H4)-4,2′:6′,4′′-tpy)2] complexes
• Authors of publication: Klein, Y. Maximilian; Constable, Edwin C.; Housecroft, Catherine E.; Zampese, Jennifer A.; Crochet, Aurélien
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 42
• Pages of publication: 9915
• a: 14.2398 ± 0.0007 Å
• b: 14.7602 ± 0.0007 Å
• c: 15.7924 ± 0.0008 Å
• α: 89.058 ± 0.002°
• β: 66.11 ± 0.002°
• γ: 87.738 ± 0.002°
• Cell volume: 3032.5 ± 0.3 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0515
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.1122
• Weighted residual factors for all reflections included in the refinement: 0.1179
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No