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Information card for entry 2016247
Preview
Coordinates | 2016247.cif |
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Structure factors | 2016247.hkl |
Original IUCr paper | HTML |
Chemical name | catena-poly[[[di-μ-but-2-enoato-κ^3^O:O,O';κ^3^O,O':O'-bis[diaquadibut-2-\ enoato-κO;κ^2^O,O'-yttrium(III)]]-μ-4,4'-bipyridyl dioxide-κ^2^O:O'] 4,4'-bipyridyl dioxide solvate] |
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Formula | C44 H54 N4 O20 Y2 |
Calculated formula | C44 H54 N4 O20 Y2 |
SMILES | [Y]123([O]=C(/C=C/C)[O]1[Y]14([O]=C(/C=C/C)[O]31)(OC(=[O]4)/C=C/C)(OC(=O)/C=C/C)([O]=n1ccc(cc1)c1ccn(=O)cc1)([OH2])[OH2])([O]=C(O2)/C=C/C)(OC(=O)/C=C/C)([O]=n1ccc(cc1)c1ccn(=[O][Y]234([O]=C(/C=C/C)[O]2[Y]25([O]=C(/C=C/C)[O]42)([O]=C(O5)/C=C/C)(OC(=O)/C=C/C)([OH2])[OH2])(OC(=[O]3)/C=C/C)(OC(=O)/C=C/C)([OH2])[OH2])cc1)([OH2])[OH2].O=n1ccc(cc1)c1ccn(=O)cc1.O=n1ccc(cc1)c1ccn(=O)cc1 |
Title of publication | Three isomorphous Ln complexes: {[Ln~2~(bt)~6~(bno)(H~2~O)~4~]·bno}~<i>n~</i> (bt is but-2-enoate and bno is 4,4'-bipyridyl <i>N</i>,<i>N</i>'-dioxide), with Ln = Nd, Er and Y |
Authors of publication | Ana María Atria; María Teresa Garland; Ricardo Baggio |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 2007 |
Journal volume | 63 |
Journal issue | 11 |
Pages of publication | m490 - m493 |
a | 9.1865 ± 0.0013 Å |
b | 12.0293 ± 0.0017 Å |
c | 12.7275 ± 0.0018 Å |
α | 85.71 ± 0.002° |
β | 71.079 ± 0.002° |
γ | 69.175 ± 0.002° |
Cell volume | 1242.3 ± 0.3 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 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 | 0.0641 |
Residual factor for significantly intense reflections | 0.0483 |
Weighted residual factors for significantly intense reflections | 0.1096 |
Weighted residual factors for all reflections included in the refinement | 0.117 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
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/2016247.html
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