Information card for entry 4073532

Structure parameters

• Formula: C48 H50 Cl2 O Sb2
• Calculated formula: C48 H50 Cl2 O Sb2
• SMILES: Cc1cc(C)c(c2cccc(c3c(cc(cc3C)C)C)c2[Sb](Cl)O[Sb](Cl)c2c(cccc2c2c(C)cc(cc2C)C)c2c(cc(C)cc2C)C)c(C)c1
• Title of publication: The First Mixed-Valent Antimony(III/V) Oxo Clusters (2,6-Mes2C6H3Sb)2(ClSb)4O8and (2,6-Mes2C6H3Sb)4(ClSb)4(HOSb)2O14†
• Authors of publication: Beckmann, Jens; Heek, Timm; Takahashi, Masashi
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 15
• Pages of publication: 3633
• a: 8.58 ± 0.02 Å
• b: 11.95 ± 0.03 Å
• c: 21.48 ± 0.05 Å
• α: 74.85 ± 0.08°
• β: 85.73 ± 0.09°
• γ: 83.88 ± 0.08°
• Cell volume: 2111 ± 9 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: 0.052
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.0862
• Weighted residual factors for all reflections included in the refinement: 0.0937
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No