Information card for entry 2209233

Structure parameters

• Chemical name: Poly[(O-ethyl dithiocarbonate-κ3S,S',O)(1,10-phenanthroline-κ2N,N')potassium(I)]
• Formula: C15 H13 K N2 O S2
• Calculated formula: C15 H13 K N2 O S2
• SMILES: [K+].S=C([S-])OCC.n1cccc2ccc3cccnc3c12
• Title of publication: Poly[(μ~3~-<i>O</i>-ethyl dithiocarbonato-κ^5^<i>O</i>,<i>S</i>:<i>S</i>,<i>S</i>':<i>S</i>')[(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')potassium(I)]]
• Authors of publication: Nair, Sreekumari P.; Mirkovic, Tihana; Scholes, Gregory D.; Lough, Alan J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 6
• Pages of publication: m1317 - m1319
• a: 6.7148 ± 0.0005 Å
• b: 10.5307 ± 0.0007 Å
• c: 12.2614 ± 0.0009 Å
• α: 64.58 ± 0.003°
• β: 89.405 ± 0.004°
• γ: 80.336 ± 0.005°
• Cell volume: 770.12 ± 0.1 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0895
• Residual factor for significantly intense reflections: 0.0545
• Weighted residual factors for significantly intense reflections: 0.1344
• Weighted residual factors for all reflections included in the refinement: 0.1577
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes