Information card for entry 4116303

Structure parameters

• Formula: C31 H55 O Si2 Y
• Calculated formula: C31 H55 O Si2 Y
• SMILES: [Y]1234(C([Si](C)(C)C)[Si](C)(C)C)(Oc5c(C(C)(C)C)cccc5C(C)(C)C)[c]5([c]1([c]2([c]3([c]45C)C)C)C)C
• Title of publication: C-H Bonds Are Not Elongated by Coordination to Lanthanide Metals: Single-Crystal Neutron Diffraction Structures of (C5Me5)Y(OC6H3tBu2)CH(SiMe3)2 at 20 K and (C5Me5)La{CH(SiMe3)2}2 at 15 K
• Authors of publication: Wim T. Klooster; Lee Brammer; Colin J. Schaverien; Peter H. M. Budzelaar
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 1999
• Journal volume: 121
• Pages of publication: 1381 - 1382
• a: 9.476 ± 0.003 Å
• b: 22.133 ± 0.008 Å
• c: 15.815 ± 0.005 Å
• α: 90°
• β: 91.75 ± 0.03°
• γ: 90°
• Cell volume: 3315.4 ± 1.9 ų
• Cell temperature: 128 ± 5 K
• Ambient diffraction temperature: 293 ± 2 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: 0.1329
• Residual factor for significantly intense reflections: 0.0695
• Weighted residual factors for all reflections: 0.2285
• Weighted residual factors for significantly intense reflections: 0.1548
• Goodness-of-fit parameter for all reflections: 0.993
• Goodness-of-fit parameter for significantly intense reflections: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No