Information card for entry 7037533

Structure parameters

• Formula: C64 H98 O26 P6 Sb4 Se2
• Calculated formula: C64 H98 O26 P6 Sb4 Se2
• SMILES: [Sb]1234([O]=[Se](c5ccccc5)O[Sb]56(OP(=O)(O[Sb]7([OH][Sb](OP(=O)(O2)C(C)(C)C)(OP(=O)(O1)C(C)(C)C)(O7)(O3)c1ccc(cc1)C)([O]=P(O5)(O)C(C)(C)C)(c1ccc(C)cc1)O6)C(C)(C)C)([O]=[Se](c1ccccc1)O4)c1ccc(cc1)C)c1ccc(C)cc1.P(=O)(O)(O)C(C)(C)C.P(=O)(O)(O)C(C)(C)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: 13.9433 ± 0.0012 Å
• b: 15.4586 ± 0.0013 Å
• c: 21.2655 ± 0.0018 Å
• α: 82.213 ± 0.001°
• β: 83.783 ± 0.002°
• γ: 71.55 ± 0.001°
• Cell volume: 4297.5 ± 0.6 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: 0.0463
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for significantly intense reflections: 0.0786
• Weighted residual factors for all reflections included in the refinement: 0.0825
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No