Information card for entry 2012409

Structure parameters

• Formula: C36 H52 Cl2 N2 O4 U2
• Calculated formula: C36 H52 Cl2 N2 O4 U2
• SMILES: [U]1(Cl)([O](CC)CC)([c]23C)([c]24C)([c]32C)([c]23C)([c]34c2[n]1cccc2)(O1)O[U]12(Cl)([O](CC)CC)([c]13C)([c]14C)([c]31C)([c]13C)[c]34c1[n]2cccc1
• Title of publication: A dinuclear uranium(IV) complex of the chelating ligand 1,2,3,4-tetramethyl-5-(2-pyridyl)cyclopentadiene
• Authors of publication: Le Borgne, Thierry; Thuéry, Pierre; Ephritikhine, Michel
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 1
• Pages of publication: m8 - m9
• a: 11.6695 ± 0.0008 Å
• b: 18.2129 ± 0.0012 Å
• c: 19.194 ± 0.0013 Å
• α: 90°
• β: 106.42 ± 0.004°
• γ: 90°
• Cell volume: 3913 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.29
• Residual factor for significantly intense reflections: 0.0866
• Weighted residual factors for significantly intense reflections: 0.117
• Weighted residual factors for all reflections included in the refinement: 0.184
• Goodness-of-fit parameter for all reflections included in the refinement: 0.917
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No