Information card for entry 7017006

Structure parameters

• Formula: C20 H19 Co N3 O5
• Calculated formula: C20 H19 Co N3 O5
• SMILES: [Co]123([n]4ccccc4c4[n]1c(cc(c4)OC)c1[n]2cccc1)([O]=C(C)O3)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: 8.1976 ± 0.0016 Å
• b: 10.949 ± 0.002 Å
• c: 11.25 ± 0.002 Å
• α: 93.9 ± 0.03°
• β: 107 ± 0.03°
• γ: 94.79 ± 0.03°
• Cell volume: 957.7 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0358
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.0899
• Weighted residual factors for all reflections included in the refinement: 0.0908
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No