Information card for entry 4079036

Structure parameters

• Formula: C25 H21 K P2 S2
• Calculated formula: C25 H21 K P2 S2
• SMILES: [K+].C(=P(c1ccccc1)(c1ccccc1)[S-])P(c1ccccc1)(c1ccccc1)=S
• Title of publication: Synthesis of a Tin(II) 1,3-Benzobis(thiophosphinoyl)methanediide Complex and Its Reactions with Aluminum Compounds
• Authors of publication: Yang, Yi-Fan; Foo, Cechao; Ganguly, Rakesh; Li, Yongxin; So, Cheuk-Wai
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 18
• Pages of publication: 6538
• a: 13.5364 ± 0.0006 Å
• b: 8.2974 ± 0.0004 Å
• c: 22.0239 ± 0.001 Å
• α: 90°
• β: 105.239 ± 0.002°
• γ: 90°
• Cell volume: 2386.68 ± 0.19 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.1087
• Residual factor for significantly intense reflections: 0.098
• Weighted residual factors for significantly intense reflections: 0.3022
• Weighted residual factors for all reflections included in the refinement: 0.3154
• Goodness-of-fit parameter for all reflections included in the refinement: 1.194
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No