Information card for entry 7112745

Structure parameters

• Formula: C59 H71 Ce N7 O8
• Calculated formula: C59 H71 Ce N7 O8
• SMILES: [Ce]1234(ON(c5ccccc5)C(=[O]1)C(C)(C)C)(ON(c1ccccc1)C(=[O]2)C(C)(C)C)(ON(c1ccccc1)C(=[O]3)C(C)(C)C)ON(c1ccccc1)C(=[O]4)C(C)(C)C.n1ccccc1.n1ccccc1.n1ccccc1
• Title of publication: Structural and electrochemical characterization of a cerium(IV) hydroxamate complex: implications for the beneficiation of light rare earth ores
• Authors of publication: Heui Beom Lee; Justin A. Bogart; Patrick J. Carroll; Eric J. Schelter
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 5361
• a: 11.1132 ± 0.0009 Å
• b: 16.0672 ± 0.0013 Å
• c: 17.0331 ± 0.0014 Å
• α: 77.983 ± 0.005°
• β: 76.94 ± 0.005°
• γ: 74.647 ± 0.004°
• Cell volume: 2821.1 ± 0.4 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0599
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.1213
• Weighted residual factors for all reflections included in the refinement: 0.1316
• Goodness-of-fit parameter for all reflections included in the refinement: 1.148
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No