Information card for entry 4083379

Structure parameters

• Formula: C87 H65 Br4 Cl9 N8 O11 Sb4
• Calculated formula: C87 H65 Br4 Cl9 N8 O11 Sb4
• SMILES: [O]1[Sb]23(O[Sb]4(O)([n]5[nH]c(cc5c5c([O]4)cccc5)c4ccccc4)(c4ccc(Br)cc4)O[Sb]4(O2)([O]c2c(c5[n]4[nH]c(c4ccccc4)c5)cccc2)(O[Sb]2(O)(c4ccc(Br)cc4)([O]c4c(c5[n]2[nH]c(c2ccccc2)c5)cccc4)O3)c2ccc(Br)cc2)(c2ccc(Br)cc2)[n]2[nH]c(cc2c2c1cccc2)c1ccccc1.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl
• Title of publication: Isolation of Tetranuclear Organoantimony Oxo Clusters and Hexa-decanuclear Polyoxostibonates
• Authors of publication: Jami, Ananda Kumar; Prabhu, M. Santhana Raj; Baskar, Viswanathan
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 5
• Pages of publication: 1137
• a: 15.639 ± 0.002 Å
• b: 17.062 ± 0.003 Å
• c: 19.793 ± 0.003 Å
• α: 74.305 ± 0.002°
• β: 83.621 ± 0.002°
• γ: 66.7 ± 0.002°
• Cell volume: 4669.8 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0723
• Residual factor for significantly intense reflections: 0.0549
• Weighted residual factors for significantly intense reflections: 0.1575
• Weighted residual factors for all reflections included in the refinement: 0.1697
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No