Information card for entry 7051725

Structure parameters

• Formula: C66 H60 Ga O3 P3 S4
• Calculated formula: C66 H60 Ga O3 P3 S4
• SMILES: c12c(cccc1)P(c1c(cccc1)S[Ga]13([P](c4c(cccc4)S1)(c1c(cccc1)S3)c1ccccc1)S2)c1ccccc1.c1(ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.O(C)CCOCCOC
• 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: 12.142 ± 0.005 Å
• b: 14.078 ± 0.005 Å
• c: 18.389 ± 0.005 Å
• α: 97.013 ± 0.005°
• β: 109.103 ± 0.005°
• γ: 99.798 ± 0.005°
• Cell volume: 2873.1 ± 1.8 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 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: 0.0698
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for significantly intense reflections: 0.0429
• Weighted residual factors for all reflections included in the refinement: 0.0483
• Goodness-of-fit parameter for all reflections included in the refinement: 0.95
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No