Information card for entry 4112154

Structure parameters

• Formula: C38 H69 Ag B11 O2 P
• Calculated formula: C38 H69 Ag B11 O2 P
• SMILES: [Ag]([P](c1ccccc1)(c1ccccc1)c1ccccc1)([O](CC)CC)[O](CC)CC.C[B]1234[CH]567[B]891([B]1%10%11([B]%12%13%14(C)[B]29%10(C)[B]23%14(C)[B]39%12(C)[B]%10%11%13(C)[B]581(C)[B]63%10(C)[B]4729C)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: 20.008 ± 0.0005 Å
• b: 12.283 ± 0.0004 Å
• c: 37.481 ± 0.0011 Å
• α: 90°
• β: 102.378 ± 0.002°
• γ: 90°
• Cell volume: 8997.1 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.1718
• Residual factor for significantly intense reflections: 0.0754
• Weighted residual factors for significantly intense reflections: 0.1464
• Weighted residual factors for all reflections included in the refinement: 0.1927
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No