Information card for entry 7719171

Structure parameters

• Formula: C39 H50 B3 P3 Si
• Calculated formula: C39 H50 B3 P3 Si
• Title of publication: Clicking [Mo(CO)₃(triphos)] to an azide-terminated alkylthiol SAM: structural, spectroscopic and electrochemical investigations.
• Authors of publication: Michaelis, Niels; Engesser, Tobias A.; Krahmer, Jan; Strunskus, Thomas; Näther, Christian; Le Poul, Nicolas; Tuczek, Felix
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 38
• Pages of publication: 14286 - 14303
• a: 20.3368 ± 0.0004 Å
• b: 16.4165 ± 0.0003 Å
• c: 12.2136 ± 0.0002 Å
• α: 90°
• β: 104.341 ± 0.002°
• γ: 90°
• Cell volume: 3950.56 ± 0.13 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• 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: 0.0409
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.0997
• Weighted residual factors for all reflections included in the refinement: 0.1017
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No