Information card for entry 7207822

Structure parameters

• Formula: C88 H70 Co2 N16 O5 S4
• Calculated formula: C88 H60 Co2 N16 O5 S4
• Title of publication: Cobalt(ii) coordination polymers with 4′-substituted 4,2′:6′,4′′- and 3,2′:6′,3′′-terpyridines: engineering a switch from planar to undulating chains and sheets
• Authors of publication: Constable, Edwin C.; Housecroft, Catherine E.; Neuburger, Markus; Vujovic, Srboljub; Zampese, Jennifer A.; Zhang, Guoqi
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 10
• Pages of publication: 3554
• a: 24.608 ± 0.002 Å
• b: 10.6168 ± 0.001 Å
• c: 17.7748 ± 0.0016 Å
• α: 90°
• β: 116.118 ± 0.006°
• γ: 90°
• Cell volume: 4169.6 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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 all reflections: 0.0597
• Residual factor for significantly intense reflections: 0.0581
• Weighted residual factors for significantly intense reflections: 0.1598
• Weighted residual factors for all reflections included in the refinement: 0.1612
• Goodness-of-fit parameter for all reflections included in the refinement: 1.119
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No