Information card for entry 7012156

Structure parameters

• Formula: C33 H57 O6 Sb
• Calculated formula: C33 H57 O6 Sb
• SMILES: [Sb]123(OC(=CC(=[O]1)C(C)(C)C)C(C)(C)C)(OC(=CC(=[O]2)C(C)(C)C)C(C)(C)C)OC(=CC(=[O]3)C(C)(C)C)C(C)(C)C
• 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: 10.146 ± 0.003 Å
• b: 13.272 ± 0.003 Å
• c: 14.361 ± 0.004 Å
• α: 77.86 ± 0.02°
• β: 69.81 ± 0.02°
• γ: 78.49 ± 0.02°
• Cell volume: 1757.3 ± 0.9 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.04
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for all reflections: 0.1261
• Weighted residual factors for significantly intense reflections: 0.1124
• Goodness-of-fit parameter for all reflections: 0.656
• Goodness-of-fit parameter for significantly intense reflections: 0.647
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No