Information card for entry 4030772

Structure parameters

• Formula: C40 H58 O4 Y2
• Calculated formula: C40 O4 Y2
• SMILES: [Y]123456789([cH]%10[c]4([c]3([c]2([c]1%10C)C)C)C)([O]=C(C)O[Y]1234%10%11%12%13([cH]%14[c]4([c]3([c]2([c]1%14C)C)C)C)([cH]1[c]%10([c]%11([c]%12([c]%131C)C)C)C)[O]=C(C)O9)[cH]1[c]5([c]6([c]7([c]81C)C)C)C
• Title of publication: Organometallic compounds of the lanthanides, 99. Synthesis and crystal structure of bis(cyclopentadienyl)rare earth acetates (Cp2LnO2CCH3)2 (Cp = C5H5, C5HMe4, C5Me5)
• Authors of publication: Schumann, H.; Zietzke, K.; Weimann, R.
• Journal of publication: European Journal of Solid State and Inorganic Chemistry
• Year of publication: 1996
• Journal volume: 33
• Pages of publication: 121 - 144
• a: 10.618 ± 0.004 Å
• b: 13.465 ± 0.003 Å
• c: 14.351 ± 0.003 Å
• α: 90°
• β: 106.09 ± 0.02°
• γ: 90°
• Cell volume: 1971.4 ± 1 ų
• Ambient diffraction temperature: 210 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.1027
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No