Information card for entry 7051727

Structure parameters

• Formula: C22 H22 Ga P S2
• Calculated formula: C22 H22 Ga P S2
• SMILES: CC(C)(C)[Ga]12[P](c3c(cccc3)S1)(c1ccccc1)c1c(cccc1)S2
• Title of publication: Stabilisation of an inorganic digallane by the phosphinobisthiolato P,S,S pincer ligand PPh(2-SC6H4)2
• Authors of publication: Vălean, Ana-Maria; Gómez-Ruiz, Santiago; Lönnecke, Peter; Silaghi-Dumitrescu, Ioan; Silaghi-Dumitrescu, Luminita; Hey-Hawkins, Evamarie
• Journal of publication: New Journal of Chemistry
• Year of publication: 2009
• Journal volume: 33
• Journal issue: 8
• Pages of publication: 1771
• a: 11.064 ± 0.002 Å
• b: 12.605 ± 0.003 Å
• c: 15.919 ± 0.003 Å
• α: 93.733 ± 0.017°
• β: 102.653 ± 0.016°
• γ: 99.969 ± 0.017°
• Cell volume: 2121.2 ± 0.8 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0504
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for significantly intense reflections: 0.0565
• Weighted residual factors for all reflections included in the refinement: 0.0618
• Goodness-of-fit parameter for all reflections included in the refinement: 0.919
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No