Information card for entry 7019351

Structure parameters

• Common name: U38Py10Nt4
• Formula: K34 N8 O259 P20 U38
• Calculated formula: K34 N8 O259 P20 U38
• SMILES: [U]12345(=O)(=O)ON(=[O]5)=[O][U]5678(=O)(=O)[O]9[U]%10%11%12(=O)(=O)([O]89)OP8(=O)OP(=O)(O%10)O[U]9%10(=O)([O]3[O]49)(O8)(=O)[O]3[U]489(=O)(=O)([O]3%10)[O]3[U]%10%13%14(=O)(=O)([O]34)OP3(=O)O[U]4%15(OP(O3)(=O)O%14)(=O)(=O)([O]%11[O]4%12)[O]3[U]4%11%12(=O)(=O)([O]3%15)[O]3[U]%14%15%16(=O)(=O)([O]34)OP3(=O)OP(=O)(O%14)O[U]4%14(=O)(=O)([O]%10[O]4%13)(O3)[O]3[U]4%10%13(=O)(=O)([O]3%14)[O]3[U]%14(=O)(=O)([O]3%10)(O8)(O9)[O]3[U]89([O]1[O]28)(=O)(=O)([O]3%14)OP1(=O)O[U]238(=O)(=O)(OP(=O)(O1)O9)[O]1[U]9%10(=O)(=O)([O]13)(OP(=O)(O4)OP(=O)(O9)O%13)[O]1[U]34(=O)(=O)([O]%15[O]4%16)([O]1%10)[O]1[U]49([O]13)(=O)(=O)([O]1[U]3%10(=O)(=O)([O]2[O]38)(ON(=[O]7)=[O]%10)[O]14)O[U]12(=O)(=O)([O]6[O]15)([O]%11[O]2%12)O9.O=N(=O)[O-].O=N(=O)[O-].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].O
• Title of publication: Uranyl peroxide pyrophosphate cage clusters with oxalate and nitrate bridges.
• Authors of publication: Ling, Jie; Ozga, Michael; Stoffer, Megan; Burns, Peter C.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 24
• Pages of publication: 7278 - 7284
• a: 32.866 ± 0.005 Å
• b: 18.829 ± 0.003 Å
• c: 57.375 ± 0.009 Å
• α: 90°
• β: 92.27 ± 0.002°
• γ: 90°
• Cell volume: 35478 ± 10 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 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: 0.0779
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for significantly intense reflections: 0.1319
• Weighted residual factors for all reflections included in the refinement: 0.1383
• Goodness-of-fit parameter for all reflections included in the refinement: 0.98
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No