Information card for entry 7051726

Structure parameters

• Formula: C19 H16 Ga P S2
• Calculated formula: C19 H16 Ga P S2
• SMILES: [Ga]12(Sc3c([P]2(c2c(S1)cccc2)c1ccccc1)cccc3)C
• 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: 15.8418 ± 0.0001 Å
• b: 14.3993 ± 0.0001 Å
• c: 15.897 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3626.28 ± 0.04 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0354
• Residual factor for significantly intense reflections: 0.0262
• Weighted residual factors for significantly intense reflections: 0.0588
• Weighted residual factors for all reflections included in the refinement: 0.0686
• Goodness-of-fit parameter for all reflections included in the refinement: 1.228
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No