Information card for entry 2223282

Structure parameters

• Chemical name: <i>catena</i>-Poly[calcium-bis[μ-<i>N</i>- (dimethylphosphinoyl)benzenesulfonamidato]]
• Formula: C16 H22 Ca N2 O10 P2 S2
• Calculated formula: C16 H22 Ca N2 O10 P2 S2
• SMILES: c1(ccccc1)S(=O)([O-])=NP(=O)(OC)OC.COP(=O)(OC)N=S([O-])(=O)c1ccccc1.[Ca+2]
• Title of publication: <i>catena</i>-Poly[calcium-bis[μ-<i>N</i>-(dimethylphosphinoyl)benzenesulfonamidato]]
• Authors of publication: Trush, Elizaveta A.; Trush, Victor A.; Sliva, Tetyana Yu.; Konovalova, Irina S.; Amirkhanov, Volodymyr M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 10
• Pages of publication: m1231
• a: 20.692 ± 0.002 Å
• b: 5.675 ± 0.001 Å
• c: 22.178 ± 0.003 Å
• α: 90°
• β: 115.26 ± 0.01°
• γ: 90°
• Cell volume: 2355.3 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0609
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.1277
• Weighted residual factors for all reflections included in the refinement: 0.139
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes