Information card for entry 2207638

Structure parameters

• Chemical name: Bis(N,N-diethyldithiocarbamato-κ^2^S,S')iodo(1,10-phenanthroline)bismuth(III)
• Formula: C22 H28 Bi I N4 S4
• Calculated formula: C22 H28 Bi I N4 S4
• SMILES: [Bi]123(I)([n]4cccc5c4c4[n]1cccc4cc5)([S]=C(N(CC)CC)S2)SC(=[S]3)N(CC)CC
• Title of publication: Bis(<i>N</i>,<i>N</i>-diethyldithiocarbamato-κ^2^<i>S</i>,<i>S</i>')iodo(1,10-phenanthroline)bismuth(III)
• Authors of publication: Feng Li; Han-Dong Yin; Da-Qi Wang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 12
• Pages of publication: m2541 - m2543
• a: 13.174 ± 0.006 Å
• b: 10.506 ± 0.005 Å
• c: 20.259 ± 0.008 Å
• α: 90°
• β: 100.993 ± 0.007°
• γ: 90°
• Cell volume: 2753 ± 2 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: 0.1264
• Residual factor for significantly intense reflections: 0.0576
• Weighted residual factors for significantly intense reflections: 0.1161
• Weighted residual factors for all reflections included in the refinement: 0.1396
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes