Information card for entry 7102032

Structure parameters

• Formula: C156 H276 Cl12 N36 U6
• Calculated formula: C156 H276 Cl12 N36 U6
• SMILES: [U]12345(Cl)[N]6([U]78(Cl)(Cl)([Cl][U]9%10%11%12([Cl]7)(Cl)[N](=C([N]7%10[U]%10%13%14([Cl][U]%15%16%17(Cl)(Cl)([Cl]%10)[N]%10%18[U]%19%20(Cl)([N]%15(C(=[N]%19C%15CCCCC%15)NC%15CCCCC%15)[N]%17=C(N%20C%15CCCCC%15)NC%15CCCCC%15)([N](=C%10NC%10CCCCC%10)C%10CCCCC%10)[N](=C([N]%16%18)NC%10CCCCC%10)C%10CCCCC%10)(Cl)([N]%11(C(=[N]%13C%10CCCCC%10)NC%10CCCCC%10)N%12C(=[N]%14C%10CCCCC%10)NC%10CCCCC%10)[N]7=C(N9C7CCCCC7)NC7CCCCC7)NC7CCCCC7)C7CCCCC7)([N]1(C(=[N]3C1CCCCC1)NC1CCCCC1)N8C(=[N]5C1CCCCC1)NC1CCCCC1)[N]6C(=[N]4C1CCCCC1)NC1CCCCC1)C(=[N]2C1CCCCC1)NC1CCCCC1
• Title of publication: The first urea azine molecule and its coordination to uranium in the first actinide guanidinate complexes.
• Authors of publication: Villiers, Claude; Thuéry, Pierre; Ephritikhine, Michel
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2007
• Journal issue: 27
• Pages of publication: 2832 - 2834
• a: 13.649 ± 0.0018 Å
• b: 15.66 ± 0.002 Å
• c: 25.593 ± 0.004 Å
• α: 78.538 ± 0.007°
• β: 83.988 ± 0.008°
• γ: 65.304 ± 0.008°
• Cell volume: 4869.4 ± 1.2 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: 0.1619
• Residual factor for significantly intense reflections: 0.0712
• Weighted residual factors for significantly intense reflections: 0.1547
• Weighted residual factors for all reflections included in the refinement: 0.1774
• Goodness-of-fit parameter for all reflections included in the refinement: 0.873
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No