Information card for entry 7113406

Structure parameters

• Formula: C107 H102 Cl2 N4 Na4 O13 P8
• Calculated formula: C107.003 H102 Cl2.003 N4 Na4 O13 P8
• SMILES: [Na]123[O]4P(=NP(=[O]1[Na]1(OP(=NP(=[O]1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[O]2=P(N=P([O]3[Na]124[O]([Na]3456[O]72CC[O]3CC[O]4CC[O]5CC[O]6CC7)P(=NP(=[O]1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.C(Cl)Cl
• 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: 13.9644 ± 0.0007 Å
• b: 14.402 ± 0.0008 Å
• c: 15.3266 ± 0.0008 Å
• α: 64.046 ± 0.001°
• β: 68.612 ± 0.001°
• γ: 72.159 ± 0.001°
• Cell volume: 2540.7 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0661
• Residual factor for significantly intense reflections: 0.0627
• Weighted residual factors for significantly intense reflections: 0.1614
• Weighted residual factors for all reflections included in the refinement: 0.1648
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No