Information card for entry 7109230

Structure parameters

• Formula: C41 H54 N3 O U
• Calculated formula: C41 H54 N3 O U
• SMILES: [U]123456([O]7CCCC7)([N](=C(c7[n]1c(ccc7)C(=[N]2c1c(C)cc(C)cc1C)C)C)c1c(C)cc(C)cc1C)[c]1([c]6(C)[c]3(C)[c]4([c]51C)C)C
• Title of publication: Multi-electron reduction facilitated by a trianionic pyridine(diimine) ligand
• Authors of publication: Dennis P. Cladis; John J. Kiernicki; Phillip E. Fanwick; Suzanne C. Bart
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 4169
• a: 11.0872 ± 0.0001 Å
• b: 17.1526 ± 0.0003 Å
• c: 20.616 ± 0.0003 Å
• α: 69.371 ± 0.0008°
• β: 82.26 ± 0.0008°
• γ: 89.376 ± 0.0006°
• Cell volume: 3632.99 ± 0.09 ų
• Cell temperature: 150 ± 0.02 K
• Ambient diffraction temperature: 150 ± 0.02 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: 0.062
• Residual factor for significantly intense reflections: 0.023
• Weighted residual factors for significantly intense reflections: 0.042
• Weighted residual factors for all reflections included in the refinement: 0.046
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MO-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No