Information card for entry 2208637

Structure parameters

• Chemical name: (N,N-Diethyldithiocarbamato-κ^2^S,S')bis(1,10-phenanthroline)sodium(I)
• Formula: C29 H26 N5 Na S2
• Calculated formula: C29 H26 N5 Na S2
• SMILES: c1ccc2ccc3ccc[n](c3c2[n]12)[Na]213([n]2cccc4ccc5ccc[n]1c5c24)SC(=[S]3)N(CC)CC
• Title of publication: (<i>N</i>,<i>N</i>-Diethyldithiocarbamato-κ^2^<i>S</i>,<i>S</i>')bis(1,10-phenanthroline)sodium(I)
• Authors of publication: Mirkovic, Tihana; Nair, Sreekumari P.; Scholes, Gregory D.; Lough, Alan J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 4
• Pages of publication: m833 - m835
• a: 17.705 ± 0.0007 Å
• b: 10.5385 ± 0.0004 Å
• c: 15.701 ± 0.0004 Å
• α: 90°
• β: 115.557 ± 0.0019°
• γ: 90°
• Cell volume: 2642.92 ± 0.17 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 5
• 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: 0.0784
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.1011
• Weighted residual factors for all reflections included in the refinement: 0.1201
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes