Information card for entry 4112866

Structure parameters

• Formula: C20 H42 Mo P2 Si
• Calculated formula: C20 H42 Mo P2 Si
• SMILES: [Mo]123456([Si](CC)(CC)[H]6)([P](CC[P]1(C)C)(C)C)[c]1([c]5([c]4([c]3([c]21C)C)C)C)C
• Title of publication: Silylene Hydride Complexes of Molybdenum with Silicon-Hydrogen Interactions: Neutron Structure of (η5-C5Me5)(Me2PCH2CH2PMe2)Mo(H)(SiEt2)
• Authors of publication: Benjamin V. Mork; T. Don Tilley; Arthur J. Schultz; John A. Cowan
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 10428 - 10440
• a: 8.6997 ± 0.0006 Å
• b: 17.233 ± 0.0011 Å
• c: 16.3335 ± 0.0011 Å
• α: 90°
• β: 102.332 ± 0.001°
• γ: 90°
• Cell volume: 2392.2 ± 0.3 ų
• Cell temperature: 144 ± 1 K
• Ambient diffraction temperature: 144 ± 1 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: 0.0365
• Residual factor for significantly intense reflections: 0.0316
• Weighted residual factors for all reflections: 0.0906
• Weighted residual factors for significantly intense reflections: 0.0876
• Goodness-of-fit parameter for all reflections: 1.153
• Goodness-of-fit parameter for significantly intense reflections: 1.188
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No