Information card for entry 7014965

Structure parameters

• Formula: C15 H15 Co F6 O6
• Calculated formula: C15 H15 Co F6 O6
• SMILES: [Co]123([O]=C(C(F)(F)F)C=C(O1)C)([O]=C(C(F)(F)F)C=C(O2)C)OC(=CC(=[O]3)C)C
• Title of publication: Identification of geometrical isomers using vibrational circular dichroism spectroscopy: a series of mixed-ligand complexes of diamagnetic Co(III) ions.
• Authors of publication: Sato, Hisako; Uno, Hidemitsu; Nakano, Haruyuki
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 6
• Pages of publication: 1332 - 1337
• a: 8.023 ± 0.001 Å
• b: 11.997 ± 0.0016 Å
• c: 19.429 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1870.1 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1075
• Residual factor for significantly intense reflections: 0.0735
• Weighted residual factors for significantly intense reflections: 0.1588
• Weighted residual factors for all reflections included in the refinement: 0.2031
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No