Information card for entry 4083382

Structure parameters

• Formula: C126 H120 Cl16 N12 O36 Sb16
• Calculated formula: C126 H112 Cl16 N12 O36 Sb16
• SMILES: n1[nH]c(cc1C)C.n1[nH]c(cc1C)C.n1[nH]c(cc1C)C.O1[Sb]234(O[Sb]561(c1ccc(cc1)Cl)[O]1[Sb]78([O]9[Sb]%10%11(c%12ccc(cc%12)Cl)(O[Sb]9%12(c9ccc(cc9)Cl)(O7)O[Sb]79%13(O[Sb]%14%15(O7)(c7ccc(cc7)Cl)[O]7[Sb]%16%17([O]%18[Sb]%19(c%20ccc(cc%20)Cl)(O[Sb]%18(c%18ccc(cc%18)Cl)(O%16)(O3)[O]4[Sb]347(O[Sb]7(c%16ccc(cc%16)Cl)(O2)(O[Sb](O%10)(c2ccc(cc2)Cl)([O]37)(O4)O%14)O%11)c2ccc(cc2)Cl)(O%17)O[Sb]234(c7ccc(cc7)Cl)([O]7[Sb](O%19)(c4ccc(cc4)Cl)(O%13)(O[Sb]147(c1ccc(cc1)Cl)([O]9%12)O3)O2)O5)(c1ccc(cc1)Cl)O%15)c1ccc(cc1)Cl)O8)(c1ccc(cc1)Cl)O6)c1ccc(cc1)Cl.n1[nH]c(C)cc1C.n1[nH]c(cc1C)C.n1[nH]c(cc1C)C
• 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: 18.4669 ± 0.0017 Å
• b: 19.0133 ± 0.0017 Å
• c: 25.074 ± 0.002 Å
• α: 90°
• β: 108.453 ± 0.001°
• γ: 90°
• Cell volume: 8351.2 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0664
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for significantly intense reflections: 0.1349
• Weighted residual factors for all reflections included in the refinement: 0.1547
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No