Information card for entry 2217323

Structure parameters

• Chemical name: (Isopropyl xanthato-κ^2^S,S')bis(1,10-phenanthroline-κ^2^N,N')sodium(I)
• Formula: C28 H23 N4 Na O S2
• Calculated formula: C28 H23 N4 Na O S2
• SMILES: [Na]123([S]=C([S]1)OC(C)C)([n]1cccc4c1c1[n]2cccc1cc4)[n]1cccc2c1c1[n]3cccc1cc2
• Title of publication: (Isopropyl xanthato-κ^2^<i>S</i>,<i>S</i>')bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')sodium(I)
• Authors of publication: Feng Li
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 1
• Pages of publication: m27 - m27
• a: 16.529 ± 0.004 Å
• b: 12.153 ± 0.003 Å
• c: 13.002 ± 0.003 Å
• α: 90°
• β: 102.557 ± 0.004°
• γ: 90°
• Cell volume: 2549.3 ± 1.1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1052
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.0976
• Weighted residual factors for all reflections included in the refinement: 0.1266
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes