Information card for entry 7030324

Structure parameters

• Formula: C186 H138 Br8 N18 O21 Sb8
• Calculated formula: C186 H138 Br8 N18 O21 Sb8
• SMILES: Brc1ccc([Sb]234(O[Sb]56(O[Sb]7(O[Sb]8(Oc9c(ccc%10ccccc9%10)c9[n]8[nH]cc9)(O5)(O3)c3ccc(Br)cc3)(O2)([n]2[nH]ccc2c2c(c3c(cccc3)cc2)O7)c2ccc(Br)cc2)(Oc2c3ccccc3ccc2c2[n]6[nH]cc2)c2ccc(Br)cc2)Oc2c(c3[n]4[nH]cc3)ccc3c2cccc3)cc1.Brc1ccc([Sb]234(O[Sb]56(O[Sb]7(Oc8c9c(ccc8c8[n]7[nH]cc8)cccc9)(O2)(O[Sb]2(O5)(O3)([n]3[nH]ccc3c3c(O2)c2ccccc2cc3)c2ccc(cc2)Br)c2ccc(Br)cc2)(Oc2c(c3[n]6[nH]cc3)ccc3c2cccc3)c2ccc(Br)cc2)Oc2c(c3[n]4[nH]cc3)ccc3ccccc23)cc1.c1cccc(c1)C.c1(ccccc1)C.c1(ccccc1)C.c1(c2ccc3c(c2O)cccc3)cc[nH]n1
• 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: 17.3569 ± 0.0012 Å
• b: 21.1518 ± 0.0014 Å
• c: 24.9421 ± 0.0017 Å
• α: 79.658 ± 0.001°
• β: 85.473 ± 0.001°
• γ: 76.507 ± 0.001°
• Cell volume: 8753 ± 1 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: 0.0452
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.0974
• Weighted residual factors for all reflections included in the refinement: 0.1008
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No