Information card for entry 2211632

Structure parameters

• Chemical name: Tris(O-isobutyl dithiocarbonato-κ^2^S,S')(1,10-phenanthroline)bismuth(III)
• Formula: C27 H35 Bi N2 O3 S6
• Calculated formula: C27 H35 Bi N2 O3 S6
• Title of publication: Tris(<i>O</i>-isobutyl dithiocarbonato-κ^2^<i>S</i>,<i>S</i>')(1,10-phenanthroline)bismuth(III)
• Authors of publication: Feng Li; Xian-Xiu Pan; Han-Dong Yin; Jun Zhai; Daqi Wang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 12
• Pages of publication: m3475 - m3476
• a: 17.366 ± 0.003 Å
• b: 13.13 ± 0.003 Å
• c: 30.986 ± 0.007 Å
• α: 90°
• β: 103.367 ± 0.006°
• γ: 90°
• Cell volume: 6874 ± 3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• 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: 0.0792
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.1015
• Weighted residual factors for all reflections included in the refinement: 0.1193
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes