Information card for entry 4516468

Structure parameters

• Formula: C60 N152 O360 U60
• Calculated formula: C60 N152 O360 U60
• SMILES: C12=O[U]3456(=O)(=O)[O]7[U]89%10(=O)(=O)([O]37)[O]3[U]7%11%12(=O)(=O)([O]83)[O]=C3O[U]8%13%14(=O)(=O)([O]=C3O%11)[O]3[U]%11%15%16(=O)(=O)([O]83)[O]3[U]8%17%18(=O)(=O)([O]3%11)[O]=C3O[U]%11%19%20(=O)(=O)([O]=C3O8)[O]3[U]8%21%22(=O)(=O)([O]3%11)[O]=C3C(O8)=[O][U]8%11%23(=O)(=O)(O3)[O]3[U]%24%25%26(=O)(=O)([O]83)[O]=C3C(O%24)=[O][U]8%24%27(=O)(=O)(O3)[O]3[U]%28%29%30(=O)(=O)([O]83)[O]3[U]8%31%32(=O)(=O)([O]3%28)[O]=C3C(O8)=[O][U]8%28%33(=O)(=O)(O3)[O]3[U]%34%35%36(=O)(=O)([O]83)[O]3[U]8%37%38(=O)(=O)([O]3%34)[O]=C3C(O8)=[O][U]8%34%39(=O)(=O)(O3)[O]3[U]%40%41([O]83)(=O)(=O)([O]=C3C(O%40)=[O][U]8%40%42(=O)(=O)(O3)[O]3[U]%43(=O)(=O)([O]=C1O4)(O2)([O]38)[O]1[U]234(=O)(=O)([O]1%43)[O]=C1O[U]8%43%44(=O)(=O)([O]=C1O3)[O]1[U]3%45(=O)(=O)([O]81)([O]=C(C(O3)=[O]%10)O9)[O]1[O]%45[U]1389(=O)(=O)[O]1[U]%10%45%46(=O)(=O)([O]31)[O]=C1O[U]3%47(=O)(=O)([O]=C1O%46)([O]1[U]%46%48(=O)(=O)([O]%25[O]%26%48)([O]13)[O]=C1C(O%46)=[O][U]3%25%26(=O)(=O)(O1)[O]1[U]%46%48(=O)(=O)([O]1%25)([O]=C(O%29)C(=[O]%30)O%48)[O]1[O]%46[U]1%25%29%30(=O)(=O)[O]1[U]%46%48(=O)(=O)([O]1%25)([O]1[U]%25%49(=O)(=O)([O]3[O]%25%26)([O]1%46)[O]=C1O[U]3%25(=O)(=O)([O]%43[O]3%44)([O]=C1O%49)[O]%45[O]%10%25)[O]=C1C(=[O]%48)O[U]3%10(=O)([O]2[O]4%10)(=O)(O1)[O]1[U]24(=O)(=O)([O]%40[O]4%42)([O]13)[O]=C1O[U]34(=O)([O]%37[O]4%38)(=O)([O]=C1O2)[O]1[U]24(=O)(=O)([O]%28[O]4%33)([O]13)[O]=C(O%29)C(=[O]%30)O2)[O]1[U]23(=O)(=O)([O]%11[O]3%23)([O]1%47)[O]=C1C(O2)=[O][U]23(=O)([O]%17[O]3%18)(=O)(O1)[O]1[U]34(=O)(=O)([O]%13[O]3%14)([O]12)[O]=C(C(O4)=[O]9)O8)[O]1[U]234(=O)(=O)([O]1%41)[O]=C1O[U]89(=O)([O]5[O]68)(=O)([O]=C1O2)[O]1[U]25(=O)(=O)([O]%12[O]75)([O]91)[O]=C1O[U]567(=O)(=O)([O]=C1O2)[O]1[U]28(=O)(=O)([O]51)([O]=C(O%15)C(=[O]%16)O8)[O]1[U]589(=O)(=O)([O]21)[O]=C1O[U]2%10(=O)(=O)([O]%19[O]%20%10)([O]=C1O5)[O]1[O]2[U]125%10(=O)(=O)[O]1[U]%11%12(=O)(=O)([O]%21[O]%22%11)([O]21)[O]=C1C(O%12)=[O][U]2%11(=O)([O]%24[O]2%27)(=O)(O1)[O]1[U]2%12(=O)(=O)([O]%31[O]2%32)([O]1%11)[O]=C1C(O%12)=[O][U]2%11%12(=O)(=O)(O1)[O]1[U]%13%14(=O)(=O)([O]21)([O]=C(C(O%13)=[O]%36)O%35)[O]1[U]2%13%15(=O)(=O)([O]1%14)[O]=C1C(O2)=[O][U]2%14(=O)(=O)([O]%39[O]2%34)(O1)[O]1[O]%14[U]12%14(=O)(=O)([O]4[O]32)[O]=C1O[U]23(=O)(=O)([O]6[O]72)([O]=C1O%14)[O]1[U]24(=O)(=O)([O]8[O]92)([O]31)[O]=C1C(O4)=[O][U]23(=O)(=O)([O]%13[O]2%15)(O1)[O]1[U]24(=O)(=O)([O]=C(O5)C(=[O]%10)O4)([O]%11[O]2%12)[O]31.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N
• Title of publication: Role of Ammonium Ions in the Formation of Ammonium Uranyl Peroxides and Uranyl Peroxo-oxalates
• Authors of publication: Blanchard, Florent; Ellart, Marine; Rivenet, Murielle; Vigier, Nicolas; Hablot, Isabelle; Morel, Bertrand; Grandjean, Stéphane; Abraham, Francis
• Journal of publication: Crystal Growth & Design
• Year of publication: 2015
• Journal volume: 16
• Journal issue: 1
• Pages of publication: 200
• a: 32.8783 ± 0.0006 Å
• b: 46.6442 ± 0.0009 Å
• c: 54.0834 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 82941 ± 3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 69
• Hermann-Mauguin space group symbol: F m m m
• Hall space group symbol: -F 2 2
• Residual factor for all reflections: 0.1526
• Residual factor for significantly intense reflections: 0.0727
• Weighted residual factors for significantly intense reflections: 0.1967
• Weighted residual factors for all reflections included in the refinement: 0.2481
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No