Information card for entry 2225554

Structure parameters

• Chemical name: <i>catena</i>-Poly[neodymium(III)-bis[μ-<i>N</i>- (dimorpholinophosphoryl)benzenesulfonamidato]-sodium(I)-bis[μ-<i>N</i>- (dimorpholinophosphoryl)benzenesulfonamidato]]
• Formula: C56 H84 N12 Na Nd O20 P4 S4
• Calculated formula: C56 H84 N12 Na Nd O20 P4 S4
• SMILES: [Na+].O=S1(c2ccccc2)=NP(N2CCOCC2)(N2CCOCC2)=[O][Nd]234([O]=P(N=S(c5ccccc5)(O2)=O)(N2CCOCC2)N2CCOCC2)(O1)([O]=P(N=S(O3)(=O)c1ccccc1)(N1CCOCC1)N1CCOCC1)[O]=P(N=S(O4)(=O)c1ccccc1)(N1CCOCC1)N1CCOCC1
• Title of publication: <i>catena</i>-Poly[neodymium(III)-bis[μ-<i>N</i>-(dimorpholinophosphoryl)benzenesulfonamidato]-sodium(I)-bis[μ-<i>N</i>-(dimorpholinophosphoryl)benzenesulfonamidato]]
• Authors of publication: Shatrava, Iuliia O.; Sliva, Tatyana Yu.; Ovchynnikov, Vladimir A.; Konovalova, Irina S.; Amirkhanov, Vladimir M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 4
• Pages of publication: m397 - m398
• a: 22.943 ± 0.005 Å
• b: 22.943 ± 0.005 Å
• c: 22.943 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 12077 ± 5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 218
• Hermann-Mauguin space group symbol: P -4 3 n
• Hall space group symbol: P -4n 2 3
• Residual factor for all reflections: 0.1517
• Residual factor for significantly intense reflections: 0.0946
• Weighted residual factors for significantly intense reflections: 0.1525
• Weighted residual factors for all reflections included in the refinement: 0.1779
• Goodness-of-fit parameter for all reflections included in the refinement: 1.424
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes