Information card for entry 7006293

Structure parameters

• Common name: (3) (UO2OC6H2-2,6-(C(CH3)3)2-4-CH3HTMG2)
• Formula: C40 H72 N6 O4 U
• Calculated formula: C40 H72 N6 O4 U
• SMILES: [U](=O)(=O)(Oc1c(cc(cc1C(C)(C)C)C)C(C)(C)C)(Oc1c(cc(cc1C(C)(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: 11.888 ± 0.003 Å
• b: 12.046 ± 0.003 Å
• c: 16.41 ± 0.004 Å
• α: 98.537 ± 0.004°
• β: 110.668 ± 0.004°
• γ: 93.634 ± 0.004°
• Cell volume: 2157.3 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0409
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.0989
• Weighted residual factors for all reflections included in the refinement: 0.1038
• Goodness-of-fit parameter for all reflections included in the refinement: 0.718
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No