Information card for entry 7037532

Structure parameters

• Formula: C78 H123 N3 O26 P6 Sb4 Se2
• Calculated formula: C78 H123 N3 O26 P6 Sb4 Se2
• SMILES: CC#N.[Sb]1234([OH][Sb]56(O[Sb]7([O]=[Se](O[Sb](O2)(OP(=O)(O1)C(C)(C)C)([O]=[Se](O7)c1ccccc1)(OP(=[O]4)(O)C(C)(C)C)c1ccc(C(C)C)cc1)c1ccccc1)(OP(=O)(O5)C(C)(C)C)(c1ccc(cc1)C(C)C)OP(=O)(O6)C(C)(C)C)(c1ccc(cc1)C(C)C)O3)c1ccc(cc1)C(C)C.P(=O)(O)(C(C)(C)C)O.P(=O)(O)(O)C(C)(C)C.C(#N)C.C(#N)C
• Title of publication: Monoorganoantimony(v) phosphonates and phosphoselininates.
• Authors of publication: Ugandhar, Uppara; Baskar, Viswanathan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 14
• Pages of publication: 6269 - 6274
• a: 24.238 ± 0.002 Å
• b: 27.209 ± 0.002 Å
• c: 30.177 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 19901 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0918
• Residual factor for significantly intense reflections: 0.0569
• Weighted residual factors for significantly intense reflections: 0.1419
• Weighted residual factors for all reflections included in the refinement: 0.17
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No