Information card for entry 7219419

Structure parameters

• Formula: C52 H42 N6 O12 Zn2
• Calculated formula: C52 H42 N6 O12 Zn2
• SMILES: [Zn]123([O]=C(C)O[Zn]([O]=C(O1)C)(OC(=[O]2)C)([O]=C(O3)C)[n]1ccc(cc1)c1nc(cc(c1)c1cc2OCOc2cc1)c1ccncc1)[n]1ccc(cc1)c1nc(cc(c1)c1ccc2OCOc2c1)c1ccncc1
• Title of publication: Diverse zinc(II) coordination assembles built on divergent 4,2':6',4''-terpyridine derivatives: syntheses, structures and catalytic properties
• Authors of publication: Zhang, Guoqi; Chen, Wenbo; Golen, James A.; Rheingold, Arnold L.; Jia, Yi-Xia; Brathwaite, Nyeisha; Lo, Wenfeng
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 10.8145 ± 0.0015 Å
• b: 13.5094 ± 0.0019 Å
• c: 16.68 ± 0.002 Å
• α: 102.93 ± 0.004°
• β: 93.543 ± 0.004°
• γ: 102.85 ± 0.004°
• Cell volume: 2299.6 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1028
• Residual factor for significantly intense reflections: 0.0508
• Weighted residual factors for significantly intense reflections: 0.1062
• Weighted residual factors for all reflections included in the refinement: 0.1261
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No