Information card for entry 7037534

Structure parameters

• Formula: C50 H77 N O17 P4 Sb2 Se2
• Calculated formula: C50 H77 N O17 P4 Sb2 Se2
• SMILES: [Sb]12(c3ccc(cc3)C(C)(C)C)(O[Se](c3ccccc3)=O)(OP(=O)(O)C(C)(C)C)OP(=O)(C(C)(C)C)O[Sb](c3ccc(cc3)C(C)(C)C)(O[Se](c3ccccc3)=O)(OP(=O)(C(C)(C)C)O)(OP(O2)(C(C)(C)C)=O)O1.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: 17.124 ± 0.003 Å
• b: 16.73 ± 0.003 Å
• c: 22.614 ± 0.004 Å
• α: 90°
• β: 107.967 ± 0.004°
• γ: 90°
• Cell volume: 6162.6 ± 1.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1512
• Residual factor for significantly intense reflections: 0.0911
• Weighted residual factors for significantly intense reflections: 0.195
• Weighted residual factors for all reflections included in the refinement: 0.2173
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No