Information card for entry 2237553

Structure parameters

• Chemical name: (2,2'-Bipyridine-κ^2^<i>N</i>,<i>N</i>')[bis(diphenylthiophosphinoyl)methyl]lithium(I) benzene monosolvate
• Formula: C41 H35 Li N2 P2 S2
• Calculated formula: C41 H35 Li N2 P2 S2
• SMILES: c1cccc2c3cccc[n]3[Li]3([n]12)[S]=P(c1ccccc1)(c1ccccc1)C=P(c1ccccc1)(c1ccccc1)S3.c1ccccc1
• Title of publication: (2,2'-Bipyridine-κ^2^<i>N</i>,<i>N</i>')[bis(diphenylthiophosphinoyl)methyl]lithium(I) benzene monosolvate
• Authors of publication: Ren, Wenshan; Chantrapromma, Suchada; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 3
• Pages of publication: m160 - m161
• a: 10.7654 ± 0.0011 Å
• b: 13.1295 ± 0.0012 Å
• c: 13.5498 ± 0.0011 Å
• α: 90.746 ± 0.002°
• β: 101.902 ± 0.001°
• γ: 109.257 ± 0.002°
• Cell volume: 1762.3 ± 0.3 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 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: 0.0662
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.1054
• Weighted residual factors for all reflections included in the refinement: 0.1148
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes