Information card for entry 7207823

Structure parameters

• Formula: C19 H14 Cl3 N5
• Calculated formula: C19 H14 Cl3 N5
• SMILES: n1ccc(cc1)c1nc(cc(c1)c1c[nH]cn1)c1ccncc1.C(Cl)(Cl)Cl
• 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: 7.0576 ± 0.0008 Å
• b: 21.727 ± 0.003 Å
• c: 12.0929 ± 0.0012 Å
• α: 90°
• β: 103.978 ± 0.008°
• γ: 90°
• Cell volume: 1799.4 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• 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: 0.0437
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.0894
• Weighted residual factors for all reflections included in the refinement: 0.0931
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No