Information card for entry 4073534

Structure parameters

• Formula: C104 H122 Cl4 O18 Sb10
• Calculated formula: C104 H122 Cl4 O18 Sb10
• SMILES: C(OCC)C.O1[Sb]23(O[Sb](O[Sb]45(O[Sb](O[Sb](O[Sb]1O4)(O[Sb](O5)Cl)(O)c1c(cccc1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)Cl)c1c(cccc1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)O[Sb](O[Sb](O2)Cl)(O[Sb](O3)Cl)(O)c1c(cccc1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)c1c(cccc1c1c(cc(cc1C)C)C)c1c(C)cc(cc1C)C.C(C)OCC
• 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: 15.066 ± 0.003 Å
• b: 15.16 ± 0.003 Å
• c: 15.218 ± 0.003 Å
• α: 62.465 ± 0.005°
• β: 63.75 ± 0.005°
• γ: 82.683 ± 0.005°
• Cell volume: 2751.2 ± 1 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: 0.0646
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.1057
• Weighted residual factors for all reflections included in the refinement: 0.121
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No