Information card for entry 7037530

Structure parameters

• Formula: C62 H101 N O22 P6 Sb4
• Calculated formula: C62 H101 N O22 P6 Sb4
• SMILES: [Sb]1234(OP(=O)(O[Sb]5(O1)(OP(=O)(O[Sb]16(O5)(OP(=O)(O[Sb](O2)(OP(=O)(O3)C(C)(C)C)(O1)(OP(=O)(O6)C(C)(C)C)c1ccc(C(C)C)cc1)C(C)(C)C)c1ccc(cc1)C(C)C)C(C)(C)C)(OP(=O)(O4)C(C)(C)C)c1ccc(cc1)C(C)C)C(C)(C)C)c1ccc(cc1)C(C)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: 13.7494 ± 0.0011 Å
• b: 17.0061 ± 0.0014 Å
• c: 19.0775 ± 0.0016 Å
• α: 74.82 ± 0.001°
• β: 83.929 ± 0.001°
• γ: 70.727 ± 0.001°
• Cell volume: 4062.9 ± 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: 0.0263
• Residual factor for significantly intense reflections: 0.0244
• Weighted residual factors for significantly intense reflections: 0.0631
• Weighted residual factors for all reflections included in the refinement: 0.0642
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No