Information card for entry 4109845

Structure parameters

• Formula: C54 H88 Cl10 N20 Ni U2
• Calculated formula: C54 H88 Cl10 N20 Ni U2
• SMILES: c1(cc(C)[n]2n1[U]1342([n]2c(cc([n]12)C)C)([n]1[n]3c(cc1C)C)(n1[n]4c(cc1C)C)[Cl][Ni]123([NH]4CCC[NH]1CC[NH]2CCC[NH]3CC4)[Cl][U]1234(n5c(cc(C)[n]15)C)([n]1c(cc([n]21)C)C)([n]1[n]3c(cc1C)C)n1[n]4c(cc1C)C)C.C(Cl)Cl.ClCCl.C(Cl)Cl.C(Cl)Cl
• Title of publication: Magnetic Exchange Coupling in Chloride-Bridged 5f-3d Heterometallic Complexes Generated via Insertion into a Uranium(IV) Dimethylpyrazolate Dimer
• Authors of publication: Stosh A. Kozimor; Bart M. Bartlett; Jeffrey D. Rinehart; Jeffrey R. Long
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 10672 - 10674
• a: 11.486 ± 0.002 Å
• b: 12.158 ± 0.002 Å
• c: 14.894 ± 0.003 Å
• α: 72.521 ± 0.002°
• β: 76.769 ± 0.003°
• γ: 73.953 ± 0.002°
• Cell volume: 1882.3 ± 0.6 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.057
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.1343
• Weighted residual factors for all reflections included in the refinement: 0.1444
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No