Information card for entry 2240638

Structure parameters

• Chemical name: μ-Peroxido-κ^4^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^1'^,<i>O</i>^2'^-bis[(nitrato-κ<i>O</i>)(2,2':6',2''-terpyridine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')dioxidouranium(VI)]
• Formula: C30 H22 N8 O12 U2
• Calculated formula: C30 H22 N8 O12 U2
• SMILES: c1cccc2c3nc(c4[n]([U]5([n]12)(=O)(=O)([O]1[O]5[U]21([n]1ccccc1c1cccc(n1)c1[n]2cccc1)(=O)(=O)ON(=O)=O)ON(=O)=O)cccc4)ccc3
• Title of publication: Crystal structure of μ-peroxido-κ^4^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^1'^,<i>O</i>^2'^-bis[(nitrato-κ<i>O</i>)(2,2':6',2''-terpyridine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')dioxidouranium(VI)]
• Authors of publication: Kawasaki, Takeshi; Kitazawa, Takafumi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 5
• Pages of publication: m122 - m123
• a: 13.4924 ± 0.0011 Å
• b: 10.2791 ± 0.0008 Å
• c: 12.6977 ± 0.001 Å
• α: 90°
• β: 114.691 ± 0.001°
• γ: 90°
• Cell volume: 1600 ± 0.2 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 K
• Number of distinct elements: 5
• 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: 0.0418
• Residual factor for significantly intense reflections: 0.0295
• Weighted residual factors for significantly intense reflections: 0.0553
• Weighted residual factors for all reflections included in the refinement: 0.0579
• Goodness-of-fit parameter for all reflections included in the refinement: 0.889
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes