Information card for entry 4320103

Structure parameters

• Formula: C45 H41 B Cu P S3
• Calculated formula: C45 H41 B Cu P S3
• SMILES: [Cu]12([P](c3ccccc3)(c3ccccc3)c3ccccc3)[S](c3ccccc3)C[B](C[S]1c1ccccc1)(C[S]2c1ccccc1)c1ccccc1
• Title of publication: Structural Diversity in a Family of Copper(I) Thioether Complexes
• Authors of publication: Carl Ohrenberg; Louise M. Liable-Sands; Arnold L. Rheingold; Charles G. Riordan
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 4276 - 4283
• a: 12.06 ± 0.006 Å
• b: 19.686 ± 0.024 Å
• c: 16.979 ± 0.016 Å
• α: 90°
• β: 94.41 ± 0.09°
• γ: 90°
• Cell volume: 4019 ± 7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1142
• Residual factor for significantly intense reflections: 0.0532
• Weighted residual factors for all reflections: 0.1703
• Weighted residual factors for significantly intense reflections: 0.1285
• Goodness-of-fit parameter for all reflections: 0.923
• Goodness-of-fit parameter for significantly intense reflections: 0.935
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No