Information card for entry 7113407

Structure parameters

• Formula: C110 H102 N4 Na4 O14 P8
• Calculated formula: C110 H102 N4 Na4 O14 P8
• SMILES: [Na]123([O]4=P(N=P([O]1[Na]1([O]=P(N=P(O1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[O]2=P(N=P([O]3[Na]124[O]([Na]3456[O]72CC[O]3CC[O]4CC[O]5c2ccccc2[O]6CC7)P(=NP(=[O]1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[OH2]
• Title of publication: Template-assisted self assembly of two lipophilic polyion aggregates derived from sodium tetraphenyl imidodiphosphinate-complexes containing sodium ions in four different coordination environments.
• Authors of publication: Román-Bravo, Perla; López-Cardoso, Marcela; y García, Patricia García; Höpfl, Herbert; Cea-Olivares, Raymundo
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2004
• Journal issue: 17
• Pages of publication: 1940 - 1941
• a: 15.8021 ± 0.0009 Å
• b: 13.9991 ± 0.0008 Å
• c: 23.2013 ± 0.0013 Å
• α: 90°
• β: 92.411 ± 0.001°
• γ: 90°
• Cell volume: 5127.9 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.0822
• Residual factor for significantly intense reflections: 0.0556
• Weighted residual factors for significantly intense reflections: 0.0934
• Weighted residual factors for all reflections included in the refinement: 0.1025
• Goodness-of-fit parameter for all reflections included in the refinement: 0.854
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No