Information card for entry 4301911

Structure parameters

• Formula: C52 H88 Cl2 Fe N16 P4 U2
• Calculated formula: C52 H88 Cl2 Fe N16 P4 U2
• Title of publication: Magnetic Exchange Coupling in Actinide-Containing Molecules
• Authors of publication: Jeffrey D. Rinehart; T. David Harris; Stosh A. Kozimor; Bart M. Bartlett; Jeffrey R. Long
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 3382 - 3395
• a: 12.816 ± 0.002 Å
• b: 15.989 ± 0.003 Å
• c: 16.523 ± 0.003 Å
• α: 90°
• β: 97.153 ± 0.003°
• γ: 90°
• Cell volume: 3359.5 ± 1 ų
• Cell temperature: 167 ± 2 K
• Ambient diffraction temperature: 167 ± 2 K
• Number of distinct elements: 7
• 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: 0.0633
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.0748
• Weighted residual factors for all reflections included in the refinement: 0.0806
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No