Information card for entry 7012155

Structure parameters

• Formula: C30 H30 F21 O6 Sb
• Calculated formula: C30 H30 F21 O6 Sb
• SMILES: C1(=CC(=[O][Sb]23(O1)(OC(=CC(=[O]2)C(C)(C)C)C(C(F)(F)C(F)(F)F)(F)F)OC(=CC(=[O]3)C(C)(C)C)C(C(F)(F)C(F)(F)F)(F)F)C(C)(C)C)C(C(F)(F)C(F)(F)F)(F)F
• Title of publication: Antimony ??-diketonates and alkoxide/??-diketonates: remarkable formation of a 3,4-dihydro-2H-pyran ring by coupling of 1,1,1,5,5,5-hexafluoro-2,4-pentanedione ligands
• Authors of publication: Horley, Graeme A.; Mahon, Mary F.; Mazhar, Muhammed; Molloy, Kieran C.; Haycock, Peter W.; Myers, Christopher P.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2002
• Journal issue: 23
• Pages of publication: 4416
• a: 19.818 ± 0.0003 Å
• b: 19.818 ± 0.0003 Å
• c: 19.818 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7783.6 ± 0.2 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 5
• Space group number: 205
• Hermann-Mauguin space group symbol: P a -3
• Hall space group symbol: -P 2ac 2ab 3
• Residual factor for all reflections: 0.0646
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.1046
• Weighted residual factors for all reflections included in the refinement: 0.1151
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No