Information card for entry 7030322

Structure parameters

• Formula: C88 H72 Br4 N4 O10 Sb4
• Calculated formula: C88 H72 Br4 N4 O10 Sb4
• SMILES: c1ccc2c3c1O[Sb]14([n]3ccc2)(O[Sb]23([n]5c6c(cccc6ccc5)O2)(O[Sb]2([n]5c6c(cccc6ccc5)O2)(O[Sb]2([n]5c6c(cccc6ccc5)O2)(O4)(O3)c2ccc(Br)cc2)(O1)c1ccc(Br)cc1)c1ccc(Br)cc1)c1ccc(Br)cc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1
• 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: 19.226 ± 0.009 Å
• b: 19.226 ± 0.009 Å
• c: 21.37 ± 0.019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7899 ± 9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.0605
• Residual factor for significantly intense reflections: 0.0506
• Weighted residual factors for significantly intense reflections: 0.135
• Weighted residual factors for all reflections included in the refinement: 0.1443
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No