Information card for entry 2213576

Structure parameters

• Common name: Tris(ethylxanthato-κ^2^S,S')(1,10-phenanthroline)bismuth(III)
• Chemical name: tris(ethoxymethanedithioato-κ^2^S,S')(1,10-phenanthroline)bismuth(III),
• Formula: C21 H23 Bi N2 O3 S6
• Calculated formula: C21 H23 Bi N2 O3 S6
• SMILES: [Bi]1234([n]5cccc6c5c5[n]1cccc5cc6)([S]=C(OCC)S2)([S]=C(OCC)S3)SC(=[S]4)OCC
• Title of publication: Tris(ethylxanthato-κ^2^<i>S</i>,<i>S</i>')(1,10-phenanthroline)bismuth(III)
• Authors of publication: Feng Li; Han-Dong Yin; Jun Zhai; Da-Qi Wang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: m1544 - m1544
• a: 10.7569 ± 0.0016 Å
• b: 11.1985 ± 0.0017 Å
• c: 11.2494 ± 0.0017 Å
• α: 96.306 ± 0.002°
• β: 91.127 ± 0.002°
• γ: 91.737 ± 0.002°
• Cell volume: 1345.9 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 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: 0.0831
• Residual factor for significantly intense reflections: 0.0684
• Weighted residual factors for significantly intense reflections: 0.1767
• Weighted residual factors for all reflections included in the refinement: 0.191
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes