Information card for entry 7051729

Structure parameters

• Formula: C42 H32 Ga2 P2 S5
• Calculated formula: C42 H32 Ga2 P2 S5
• SMILES: c12c(cccc1)[P]1(c3c(S[Ga]1(S[Ga]14[P](c5c(cccc5)S1)(c1c(S4)cccc1)c1ccccc1)S2)cccc3)c1ccccc1.c1ccccc1
• 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: 21.4599 ± 0.0008 Å
• b: 10.1678 ± 0.0004 Å
• c: 18.279 ± 0.0007 Å
• α: 90°
• β: 95.722 ± 0.003°
• γ: 90°
• Cell volume: 3968.6 ± 0.3 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0662
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.0808
• Weighted residual factors for all reflections included in the refinement: 0.0914
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No