Information card for entry 4306106

Structure parameters

• Formula: C32 H45 N4 Sm
• Calculated formula: C32 H45 N4 Sm
• 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: 20.221 ± 0.01 Å
• b: 10.11 ± 0.005 Å
• c: 16.301 ± 0.008 Å
• α: 90°
• β: 109.752 ± 0.009°
• γ: 90°
• Cell volume: 3136 ± 3 ų
• Cell temperature: 208 ± 2 K
• Ambient diffraction temperature: 208 ± 2 K
• Number of distinct elements: 4
• 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: 0.0606
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for significantly intense reflections: 0.0803
• Weighted residual factors for all reflections included in the refinement: 0.0896
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No