Information card for entry 4065692

Structure parameters

• Formula: C27 H41 N3 U
• Calculated formula: C27 H41 N3 U
• SMILES: [U]123456789%10([N]%11=C%12N1CCCN%12CCC%11)([C]1([C]2(=[C]3([C]4(=[C]51C)C)C)C)=[CH2]6)[c]1([c]7([c]8([c]9([c]%101C)C)C)C)C
• Title of publication: Utility of the 1,3,4,6,7,8-Hexahydro-2H-pyrimido[1,2-a]pyrimidinato Ligand, (hpp)−, in Stabilizing Uranium Metallocene Mono-Alkyl and “Tuck-in” Complexes
• Authors of publication: Montalvo, Elizabeth; Ziller, Joseph W.; DiPasquale, Antonio G.; Rheingold, Arnold L.; Evans, William J.
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 9
• Pages of publication: 2104
• a: 8.6188 ± 0.0008 Å
• b: 9.2322 ± 0.0009 Å
• c: 17.4294 ± 0.0016 Å
• α: 82.0205 ± 0.001°
• β: 84.9103 ± 0.001°
• γ: 67.1607 ± 0.001°
• Cell volume: 1264.8 ± 0.2 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0213
• Residual factor for significantly intense reflections: 0.0207
• Weighted residual factors for significantly intense reflections: 0.0548
• Weighted residual factors for all reflections included in the refinement: 0.055
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No