Information card for entry 7017008

Structure parameters

• Formula: C16 H15 Co N5 O8
• Calculated formula: C16 H15 Co N5 O8
• SMILES: [Co]12(ON(=O)=O)(ON(=O)=O)([OH2])[n]3ccccc3c3[n]1c(cc(OC)c3)c1[n]2cccc1
• 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: 8.8923 ± 0.0002 Å
• b: 20.3307 ± 0.0004 Å
• c: 10.2934 ± 0.0002 Å
• α: 90°
• β: 105.891 ± 0.001°
• γ: 90°
• Cell volume: 1789.79 ± 0.06 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0588
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for all reflections: 0.0663
• Weighted residual factors for significantly intense reflections: 0.0322
• Weighted residual factors for all reflections included in the refinement: 0.03
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No