Information card for entry 4509589

Structure parameters

• Formula: C10 H14 Cl6 S2 Sb2
• Calculated formula: C10 H14 Cl6 S2 Sb2
• SMILES: C(Cc1ccc(CCS)cc1)S.Cl[Sb](Cl)Cl.Cl[Sb](Cl)Cl
• Title of publication: Supramolecular Organization Using Multiple Secondary Bonding Interactions
• Authors of publication: Allen, Corinne A.; Cangelosi, Virginia M.; Zakharov, Lev N.; Johnson, Darren W.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2009
• Journal volume: 9
• Journal issue: 7
• Pages of publication: 3011
• a: 7.5028 ± 0.0005 Å
• b: 9.215 ± 0.0006 Å
• c: 14.6331 ± 0.001 Å
• α: 90°
• β: 101.955 ± 0.001°
• γ: 90°
• Cell volume: 989.76 ± 0.11 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.0217
• Residual factor for significantly intense reflections: 0.0207
• Weighted residual factors for significantly intense reflections: 0.0505
• Weighted residual factors for all reflections included in the refinement: 0.0512
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No