Information card for entry 4333135

Structure parameters

• Formula: C62 H92 N2 O2 Pr2
• Calculated formula: C62 H76 N2 O2 Pr2
• Title of publication: Synthesis, Structure, and15N NMR Studies of Paramagnetic Lanthanide Complexes Obtained by Reduction of Dinitrogen
• Authors of publication: Evans, William J.; Rego, Daniel B.; Ziller, Joseph W.
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 26
• Pages of publication: 10790 - 10798
• a: 18.1582 ± 0.0019 Å
• b: 19.943 ± 0.002 Å
• c: 15.8519 ± 0.0016 Å
• α: 90°
• β: 97.072 ± 0.002°
• γ: 90°
• Cell volume: 5696.8 ± 1 ų
• Cell temperature: 163 ± 2 K
• Ambient diffraction temperature: 163 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0631
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.1098
• Weighted residual factors for all reflections included in the refinement: 0.1229
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No