Information card for entry 4065604

Structure parameters

• Formula: C50 H40 Cl2 Ga2 P4 S4
• Calculated formula: C50 H40 Cl2 Ga2 P4 S4
• SMILES: [P]1(=[S][Ga]2(Cl)=C3P(=[S][Ga](=C1P(=[S]2)(c1ccccc1)c1ccccc1)([S]=P3(c1ccccc1)c1ccccc1)Cl)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Synthesis and Structure of Magnesium and Group 13 Metal Bis(thiophosphinoyl)methanediide Complexes
• Authors of publication: Leung, Wing-Por; Wan, Chi-Ling; Mak, Thomas C. W.
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 7
• Pages of publication: 1622
• a: 11.557 ± 0.008 Å
• b: 19.892 ± 0.014 Å
• c: 12.418 ± 0.008 Å
• α: 90°
• β: 106.293 ± 0.011°
• γ: 90°
• Cell volume: 2740 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0875
• Residual factor for significantly intense reflections: 0.0524
• Weighted residual factors for significantly intense reflections: 0.1126
• Weighted residual factors for all reflections included in the refinement: 0.1235
• Goodness-of-fit parameter for all reflections included in the refinement: 0.901
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No