Information card for entry 7207132

Structure parameters

• Formula: C27 H31 N3 O8 Zn2
• Calculated formula: C27 H31 N3 O8 Zn2
• Title of publication: Coordination polymers with divergent 4′-tert-butyl-4,2′:6′,4′′-terpyridine linkers: from aryl-aryl to ball-and-socket packing
• Authors of publication: Constable, Edwin C.; Housecroft, Catherine E.; Kopecky, Peter; Neuburger, Markus; Zampese, Jennifer A.; Zhang, Guoqi
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 2
• Pages of publication: 446
• a: 26.316 ± 0.006 Å
• b: 14.8918 ± 0.0019 Å
• c: 8.0849 ± 0.0017 Å
• α: 90°
• β: 105.687 ± 0.017°
• γ: 90°
• Cell volume: 3050.4 ± 1.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.0308
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.0789
• Weighted residual factors for all reflections included in the refinement: 0.0799
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No