Information card for entry 7006291

Structure parameters

• Common name: (2) (UO2OC6H3-2,6-(C(CH3)3)2HTMG2)
• Formula: C38 H68 N6 O4 U
• Calculated formula: C38 H68 N6 O4 U
• SMILES: [U](=O)(=O)(Oc1c(cccc1C(C)(C)C)C(C)(C)C)(Oc1c(cccc1C(C)(C)C)C(C)(C)C)([NH]=C(N(C)C)N(C)C)[NH]=C(N(C)C)N(C)C
• Title of publication: Stable analogs of the uranyl ion containing 1,1,3,3-tetramethylguanidine.
• Authors of publication: Bertke, Jeffrey A.; Bunge, Scott D.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 41
• Pages of publication: 4647 - 4649
• a: 35.584 ± 0.004 Å
• b: 11.1983 ± 0.0013 Å
• c: 23.246 ± 0.003 Å
• α: 90°
• β: 115.825 ± 0.002°
• γ: 90°
• Cell volume: 8338 ± 1.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0333
• Residual factor for significantly intense reflections: 0.0234
• Weighted residual factors for significantly intense reflections: 0.074
• Weighted residual factors for all reflections included in the refinement: 0.0906
• Goodness-of-fit parameter for all reflections included in the refinement: 0.728
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No