Information card for entry 4112870

Structure parameters

• Formula: C123 H48 Mo P2 Si2
• Calculated formula: C23 H48 Mo P2 Si2
• SMILES: [MoH]12345([P](CC[P]1(C)C)(C)C)(=C=C([SiH](C)C)[Si](C)(C)C)[c]1([c]2([c]3([c]5([c]41C)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: 9.0505 ± 0.0005 Å
• b: 14.5815 ± 0.0008 Å
• c: 21.9795 ± 0.0012 Å
• α: 90°
• β: 96.229 ± 0.001°
• γ: 90°
• Cell volume: 2883.5 ± 0.3 ų
• Cell temperature: 128 ± 1 K
• Ambient diffraction temperature: 128 ± 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: 0.0721
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for all reflections: 0.1117
• Weighted residual factors for significantly intense reflections: 0.1004
• Goodness-of-fit parameter for all reflections: 0.964
• Goodness-of-fit parameter for significantly intense reflections: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No