Information card for entry 7218203

Structure parameters

• Formula: C68 H78 N6 O10 Zn2
• Calculated formula: C68 H78 N6 O10 Zn2
• SMILES: c1cc(cc[n]1[Zn]123[O]=C(C)O[Zn]([O]=C(C)O1)([n]1ccc(cc1)c1cc(cc(n1)c1ccncc1)c1ccc(OCCCCCCCCC)cc1)([O]=C(C)O2)OC(C)=[O]3)c1cc(cc(n1)c1ccncc1)c1ccc(OCCCCCCCCC)cc1
• 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: 10.9315 ± 0.0007 Å
• b: 11.2063 ± 0.0008 Å
• c: 13.3817 ± 0.0009 Å
• α: 96.615 ± 0.003°
• β: 102.46 ± 0.003°
• γ: 99.944 ± 0.003°
• Cell volume: 1556.69 ± 0.18 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: 0.039
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.0877
• Weighted residual factors for all reflections included in the refinement: 0.0911
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No