Information card for entry 7032061

Structure parameters

• Formula: C20 H30 Gd
• Calculated formula: C20 H30 Gd
• SMILES: [c]12([c]3([c]4([c]5([c]1(C)[Gd]16782345[c]2([c]8([c]7([c]6([c]12C)C)C)C)C)C)C)C)C
• Title of publication: Structural complexity in the rare earth metallocene hydride complexes, [(C5Me5)2LnH]2.
• Authors of publication: Liu, Shan-Shan; Gao, Song; Ziller, Joseph W.; Evans, William J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 41
• Pages of publication: 15526 - 15531
• a: 16.2167 ± 0.0013 Å
• b: 14.178 ± 0.0011 Å
• c: 16.7183 ± 0.0013 Å
• α: 90°
• β: 104.34 ± 0.0008°
• γ: 90°
• Cell volume: 3724.1 ± 0.5 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.03
• Residual factor for significantly intense reflections: 0.0269
• Weighted residual factors for significantly intense reflections: 0.0661
• Weighted residual factors for all reflections included in the refinement: 0.0677
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No