Information card for entry 7719172

Structure parameters

• Formula: C42 H41 Mo O3 P3 Si
• Calculated formula: C42 H41 Mo O3 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: 10.20427 ± 0.00007 Å
• b: 14.90425 ± 0.00011 Å
• c: 27.0275 ± 0.00019 Å
• α: 75.4307 ± 0.0006°
• β: 84.8563 ± 0.0006°
• γ: 79.6243 ± 0.0006°
• Cell volume: 3909.05 ± 0.05 ų
• Cell temperature: 99.99 ± 0.1 K
• Ambient diffraction temperature: 99.99 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.028
• Residual factor for significantly intense reflections: 0.0276
• Weighted residual factors for significantly intense reflections: 0.0751
• Weighted residual factors for all reflections included in the refinement: 0.0754
• 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