Information card for entry 4306107

Structure parameters

• Common name: EM10
• Formula: C27 H42 Ce N2
• Calculated formula: C27 H42 Ce N3
• SMILES: [c]14([c]2([c]3([c]([c]15C)(C)[Ce]167892345([c]2([c]1([c]7([c]8([c]29C)C)C)C)C)[N]1=C2N(CCC1)CCCN62)C)C)C
• Title of publication: Lanthanide Metallocene Complexes of the 1,3,4,6,7,8-Hexahydro-2H-pyrimido[1,2-a]pyrimidinato Ligand, (hpp)1-
• Authors of publication: William J. Evans; Elizabeth Montalvo; Dustin J. Dixon; Joseph W. Ziller; Antonio G. DiPasquale; Arnold L. Rheingold
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 11376 - 11381
• a: 24.874 ± 0.005 Å
• b: 8.445 ± 0.0015 Å
• c: 25.131 ± 0.005 Å
• α: 90°
• β: 91.754 ± 0.003°
• γ: 90°
• Cell volume: 5276.6 ± 1.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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 all reflections: 0.0397
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.0832
• Weighted residual factors for all reflections included in the refinement: 0.0859
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No