Information card for entry 7017004

Structure parameters

• Formula: C16 H11 Cl7 Co N3
• Calculated formula: C16 H11 Cl7 Co N3
• SMILES: [Co]12([n]3ccccc3c3[n]1c(cc(c3)Cl)c1[n]2cccc1)(Cl)(Cl)Cl.C(Cl)(Cl)Cl
• 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: 8.4093 ± 0.0002 Å
• b: 10.7388 ± 0.0002 Å
• c: 11.6666 ± 0.0002 Å
• α: 93.6671 ± 0.0011°
• β: 109.624 ± 0.0011°
• γ: 90.8995 ± 0.0009°
• Cell volume: 989.56 ± 0.04 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 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: 0.0462
• Residual factor for significantly intense reflections: 0.0321
• Weighted residual factors for all reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.0335
• Weighted residual factors for all reflections included in the refinement: 0.0335
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0685
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No