Information card for entry 7017005

Structure parameters

• Formula: C19 H16 Cl Co N3 O4
• Calculated formula: C19 H16 Cl Co N3 O4
• SMILES: [Co]123([n]4ccccc4c4[n]1c(cc(c4)Cl)c1[n]2cccc1)(OC(=[O]3)C)OC(=O)C
• Title of publication: Environmental control of solution speciation in cobalt(ii) 2,2':6',2''-terpyridine complexes: anion and solvent dependence.
• Authors of publication: Constable, Edwin C.; Harris, Kate; Housecroft, Catherine E.; Neuburger, Markus; Zampese, Jennifer A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 43
• Pages of publication: 11441 - 11450
• a: 8.5363 ± 0.0001 Å
• b: 10.9131 ± 0.0002 Å
• c: 11.4735 ± 0.0002 Å
• α: 104.309 ± 0.0008°
• β: 97.049 ± 0.0008°
• γ: 110.523 ± 0.0008°
• Cell volume: 943.78 ± 0.03 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0431
• Residual factor for significantly intense reflections: 0.0298
• Weighted residual factors for all reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.0328
• Weighted residual factors for all reflections included in the refinement: 0.0328
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0738
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No