Information card for entry 4112869

Structure parameters

• Formula: C28 H46 Mo P2 Si2
• Calculated formula: C28 H41 Mo P2 Si2
• SMILES: [Mo]12345([SiH2]c6ccccc6)([SiH2]c6ccccc6)([P](C)(C)CC[P]1(C)C)[c]1([c]2([c]3([c]4([c]51C)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: 15.8943 ± 0.0006 Å
• b: 10.6417 ± 0.0006 Å
• c: 17.5824 ± 0.0007 Å
• α: 90°
• β: 95.083 ± 0.003°
• γ: 90°
• Cell volume: 2962.2 ± 0.2 ų
• Cell temperature: 114 ± 1 K
• Ambient diffraction temperature: 114 ± 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: 0.1509
• Residual factor for significantly intense reflections: 0.0721
• Weighted residual factors for all reflections: 0.2114
• Weighted residual factors for significantly intense reflections: 0.1685
• Goodness-of-fit parameter for all reflections: 0.992
• Goodness-of-fit parameter for significantly intense reflections: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No