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Information card for entry 2017379
Preview
Coordinates | 2017379.cif |
---|---|
Structure factors | 2017379.hkl |
Original IUCr paper | HTML |
Chemical name | tetra-μ-but-2-enoato-bis[diaqua(μ~2~-but-2-enoato)dysprosium(III)]‒2,6- diaminopurine (1/2) |
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Formula | C34 H50 Dy2 N12 O16 |
Calculated formula | C34 H50 Dy2 N12 O16 |
SMILES | c1(nc(c2c(n1)[nH]cn2)N)N.C1(=[O][Dy]234(O1)([O]=C(/C=C/C)O3)([O]=C(/C=C/C)[O]4[Dy]134(OC(=[O]1)/C=C/C)([O]=C(/C=C/C)O3)([O]=C(/C=C/C)[O]24)([OH2])[OH2])([OH2])[OH2])/C=C/C.c1(nc(c2c(n1)[nH]cn2)N)N |
Title of publication | Two isomorphous crotonatolanthanide complexes: tetra-μ-but-2-enoato-bis[diaqua(but-2-enoato)Ln]‒2,6-diaminopurine (1/2) (Ln = Dy and Ho) |
Authors of publication | Atria, Ana María; Astete, Alan; Garland, Maria Teresa; Baggio, Ricardo |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 2009 |
Journal volume | 65 |
Journal issue | 11 |
Pages of publication | m411 - m414 |
a | 8.6441 ± 0.0002 Å |
b | 11.1173 ± 0.0003 Å |
c | 13.3944 ± 0.0003 Å |
α | 101.234 ± 0.002° |
β | 107.521 ± 0.003° |
γ | 106.587 ± 0.002° |
Cell volume | 1119.51 ± 0.06 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 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 | 0.0202 |
Residual factor for significantly intense reflections | 0.0192 |
Weighted residual factors for significantly intense reflections | 0.0464 |
Weighted residual factors for all reflections included in the refinement | 0.047 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.06 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2017379.html
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Users of the data should acknowledge the original authors of the
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