Information card for entry 7030325

Structure parameters

• Formula: C90 H64 Cl4 N8 O8 Sb4
• Calculated formula: C90 H64 Cl4 N8 O8 Sb4
• SMILES: c12c3ccccc3ccc2c2[n]3[Sb]45(n6[n]7c(cc6)c6ccc8c(c6O[Sb]7(n3cc2)(O[Sb]236([n]7n(ccc7c7c(c9ccccc9cc7)O6)[Sb]6([n]7n2ccc7c2c(O6)c6ccccc6cc2)(O4)(O3)c2ccc(cc2)Cl)c2ccc(cc2)Cl)(O5)c2ccc(cc2)Cl)cccc8)(O1)c1ccc(cc1)Cl.c1cc(ccc1)C.c1cc(ccc1)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: 11.1209 ± 0.0009 Å
• b: 11.5866 ± 0.001 Å
• c: 17.2087 ± 0.0014 Å
• α: 83.262 ± 0.002°
• β: 81.327 ± 0.001°
• γ: 69.812 ± 0.001°
• Cell volume: 2052.3 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0613
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for significantly intense reflections: 0.0981
• Weighted residual factors for all reflections included in the refinement: 0.1032
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No