Information card for entry 7032063

Structure parameters

• Formula: C47 H70 Dy2
• Calculated formula: C47 H70 Dy2
• SMILES: [DyH]12345678([H][Dy]9%10%11%12%13%14%15%16([c]%17([c]9([c]%10([c]%11([c]%12%17C)C)C)C)C)[c]9([c]%16([c]%15([c]%14([c]%139C)C)C)C)C)([c]9([c]1([c]2([c]3([c]49C)C)C)C)C)[c]1([c]5([c]6([c]7([c]81C)C)C)C)C.c1(ccccc1)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: 10.9652 ± 0.0007 Å
• b: 31.175 ± 0.002 Å
• c: 12.5094 ± 0.0008 Å
• α: 90°
• β: 99.6529 ± 0.0007°
• γ: 90°
• Cell volume: 4215.7 ± 0.5 ų
• Cell temperature: 83 ± 2 K
• Ambient diffraction temperature: 83 ± 2 K
• Number of distinct elements: 3
• 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: 0.0235
• Residual factor for significantly intense reflections: 0.0216
• Weighted residual factors for significantly intense reflections: 0.0433
• Weighted residual factors for all reflections included in the refinement: 0.044
• Goodness-of-fit parameter for all reflections included in the refinement: 1.202
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No