Information card for entry 7016331

Structure parameters

• Formula: C52.5 H73 Cl13 O8 Sb4
• Calculated formula: C50 H68 Cl8 O8 Sb4
• SMILES: [Sb]12(Cl)[O]([Sb]3(Cl)[O]([Sb]4(Cl)[O]([Sb]5(Cl)[O]2Cc2cccc(COC(C)(C)C)c52)Cc2c4c(COC(C)(C)C)ccc2)Cc2c3c(COC(C)(C)C)ccc2)Cc2c1c(ccc2)COC(C)(C)C.ClCCl.ClCCl
• Title of publication: OCO and NCO chelated derivatives of heavier group 15 elements. Study on possibility of cyclization reaction via intramolecular ether bond cleavage.
• Authors of publication: Dostál, Libor; Jambor, Roman; Růžička, Aleš; Jirásko, Robert; Holeček, Jaroslav; De Proft, Frank
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 35
• Pages of publication: 8922 - 8934
• a: 18.544 ± 0.002 Å
• b: 19.35 ± 0.002 Å
• c: 26.135 ± 0.003 Å
• α: 90°
• β: 134.565 ± 0.012°
• γ: 90°
• Cell volume: 6681.4 ± 1.9 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0924
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.1046
• Weighted residual factors for all reflections included in the refinement: 0.1165
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No