Information card for entry 7030323

Structure parameters

• Formula: C96 H70 Cl4 N10 O11 Sb4
• Calculated formula: C96 H70 Cl4 N10 O11 Sb4
• SMILES: [Sb]123(O[Sb]45(O[Sb]6(O1)(O[Sb]1(O2)(O4)(Oc2c4c(ccc2c2[n]1[nH]cc2)cccc4)c1ccc(Cl)cc1)(Oc1c2ccccc2ccc1c1[n]6[nH]cc1)c1ccc(Cl)cc1)(Oc1c2c(ccc1c1[n]5[nH]cc1)cccc2)c1ccc(Cl)cc1)(Oc1c(c2[n]3[nH]cc2)ccc2c1cccc2)c1ccc(Cl)cc1.c1(c(c2c(cc1)cccc2)O)c1n[nH]cc1.c1(ccccc1)C
• Title of publication: Tetranuclear stiboxanes (RSb)4O6, exhibiting an adamantane-type structure.
• Authors of publication: Jami, Ananda Kumar; Baskar, Viswanathan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 40
• Pages of publication: 12524 - 12529
• a: 20.029 ± 0.01 Å
• b: 21.285 ± 0.01 Å
• c: 21.577 ± 0.01 Å
• α: 90°
• β: 95.2 ± 0.007°
• γ: 90°
• Cell volume: 9161 ± 8 ų
• Cell temperature: 373 ± 2 K
• Ambient diffraction temperature: 373 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0567
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.1146
• Weighted residual factors for all reflections included in the refinement: 0.1193
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No