Information card for entry 7207819

Structure parameters

• Formula: C40 H34 Co N12 O2 S2
• Calculated formula: C40 H34 Co N12 O2 S2
• 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: 23.3334 ± 0.0007 Å
• b: 10.3868 ± 0.0003 Å
• c: 17.3827 ± 0.0006 Å
• α: 90°
• β: 109.477 ± 0.002°
• γ: 90°
• Cell volume: 3971.8 ± 0.2 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1092
• Residual factor for significantly intense reflections: 0.0697
• Weighted residual factors for all reflections: 0.1443
• Weighted residual factors for significantly intense reflections: 0.0669
• Weighted residual factors for all reflections included in the refinement: 0.056
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0536
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No