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Information card for entry 7027304
Preview
Coordinates | 7027304.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C243 H429 Cl15 N8 O94 U8 |
---|---|
Calculated formula | C249 Cl15 N8 O88 U8 |
SMILES | c1(ccc(cc1)C(C)(C)C)COC(=O)C1(CC2(CC(C1)(C3=[O][U]145(=O)([O]=C(C6(CC(CC(C6)(C(=O)OCc6ccc(cc6)C(C)(C)C)C)(C6=[O][U]789(=O)(O6)(OC(=[O]7)C6(CC(CC(C(=O)OCc7ccc(C(C)(C)C)cc7)(C6)C)(C6=[O][U]7%10%11(=O)(O6)([O]=C(C6(CC(CC(C(=O)OCc%12ccc(cc%12)C(C)(C)C)(C)C6)(C6=[O][U]%12%13(=O)(O6)(OC2=[O]%12)(=O)[O]2[U]6%12%14(OC(=[O]%14)C%14(CC(CC(C%14)(C(=O)OCc%14ccc(cc%14)C(C)(C)C)C)(C%14=[O][U]%15%16(OC(=[O]%16)C%16(CC(CC(C%16)(C(=O)OCc%16ccc(cc%16)C(C)(C)C)C)(C%16=[O][U]%17%18(=O)(O%16)([O]=C(C%16(CC(CC(C%16)(C(=O)OCc%16ccc(cc%16)C(C)(C)C)C)(C%16=[O][U]%19%20(=O)(O%16)(OC(=[O]%20)C%16(CC(CC(C%16)(C(=O)OCc%16ccc(cc%16)C(C)(C)C)C)(C(=[O]%12)O6)C)C)(=O)[O]7[O]%10%19)C)C)O%18)(=O)[O]%11[O]9%17)C)C)(=O)([O]%14)(=O)[O]4[O]5%15)C)C)(=O)(=O)[O]%132)C)C)O8)=O)C)C)=O)C)C)O1)(O3)=O)C)C)C.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.[NH+](CC)(CC)CC.[NH+](CC)(CC)CC.[NH+](CC)(CC)CC.[NH+](CC)(CC)CC.[NH+](CC)(CC)CC.[NH+](CC)(CC)CC.[NH+](CC)(CC)CC.[NH+](CC)(CC)CC.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O |
Title of publication | A metal-organic molecular box obtained from self-assembling around uranyl ions |
Authors of publication | Thuéry, Pierre; Nierlich, Martine; Baldwin, Bruce W.; Komatsuzaki, Nobuko; Hirose, Takuji |
Journal of publication | Journal of the Chemical Society, Dalton Transactions |
Year of publication | 1999 |
Journal issue | 7 |
Pages of publication | 1047 |
a | 28.2861 ± 0.0013 Å |
b | 40.881 ± 0.003 Å |
c | 29.318 ± 0.002 Å |
α | 90° |
β | 96.882 ± 0.004° |
γ | 90° |
Cell volume | 33658 ± 4 Å3 |
Cell temperature | 123 ± 2 K |
Ambient diffraction temperature | 123 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for significantly intense reflections | 0.1465 |
Weighted residual factors for significantly intense reflections | 0.2823 |
Goodness-of-fit parameter for all reflections | 1.623 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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The link is: https://www.crystallography.net/7027304.html
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