Information card for entry 4112152

Structure parameters

• Common name: Compound 3
• Formula: C30 H67 Ag B11 P
• Calculated formula: C30 H67 Ag B11 P
• SMILES: [Ag][P](C1CCCCC1)(C1CCCCC1)C1CCCCC1.C[B]2345[B]678([B]9%10%11([CH]%12%13%14[B]%15%169(C)[B]9%17%12(C)[B]%12%18%13(C)[B]6%10%14(C)[B]58%18([B]4%17%12([B]3%169([B]27%11%15C)C)C)C)C)C
• Title of publication: Silver-Phosphine Complexes of the Highly Methylated Carborane Monoanion [closo-1-H-CB11Me11]-
• Authors of publication: Adam J. Clarke; Michael J. Ingleson; Gabriele Kociok-Köhn; Mary F. Mahon; Nathan J. Patmore; Jonathan P. Rourke; Giuseppe D. Ruggiero; Andrew S. Weller
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 1503 - 1517
• a: 15.127 ± 0.0002 Å
• b: 15.538 ± 0.0003 Å
• c: 17.905 ± 0.0002 Å
• α: 90°
• β: 113.011 ± 0.001°
• γ: 90°
• Cell volume: 3873.58 ± 0.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0559
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.0879
• Weighted residual factors for all reflections included in the refinement: 0.0966
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No