Information card for entry 4323308

Structure parameters

• Formula: C39 H42 Au2 B10 Cl2 P2 S2
• Calculated formula: C44 H40 Au2 B10 P2 S2
• SMILES: [P]([Au]S[C]123[BH]456[BH]789[BH]%10%116[BH]625[BH]251[BH]1%123[BH]38([BH]821[BH]%1165[BH]9%1038)[C]47%12S[Au][P](c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.c1ccccc1
• Title of publication: Synthesis and Characterization of Gold(I) Complexes with the Ligand 1,2-Dithiolate-o-carborane. Crystal Structures of [Au~2~(μ-S~2~C~2~B~10~H~10~)(PPh~3~)~2~], [Au~2~(μ-S~2~C~2~B~10~H~10~)(μ-{(PPh~2~)~2~(CHCH)}], and [Au~2~(μ-S~2~C~2~B~10~H~10~)(μ-{(PPh~2~)~2~)(C~6~H~4~)}]
• Authors of publication: Olga Crespo; M. Concepción Gimeno; Peter G. Jones; Birte Ahrens; Antonio Laguna
• Journal of publication: Inorganic Chemistry
• Year of publication: 1997
• Journal volume: 36
• Pages of publication: 495 - 500
• a: 13.991 ± 0.003 Å
• b: 22.228 ± 0.005 Å
• c: 15.067 ± 0.004 Å
• α: 90°
• β: 97.16 ± 0.02°
• γ: 90°
• Cell volume: 4649.2 ± 1.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• 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: 0.0611
• Residual factor for significantly intense reflections: 0.0335
• Weighted residual factors for all reflections: 0.0958
• Weighted residual factors for significantly intense reflections: 0.0736
• Goodness-of-fit parameter for all reflections: 1.133
• Goodness-of-fit parameter for significantly intense reflections: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No