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Information card for entry 2211049
Preview
Coordinates | 2211049.cif |
---|---|
Structure factors | 2211049.hkl |
Original IUCr paper | HTML |
Chemical name | catena-Poly[bis(μ~2~-isonicotinato-κ^2^O:O')diaqua(isonicotinato-κ^2^O,O') erbium(III)] |
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Formula | C18 H16 Er N3 O8 |
Calculated formula | C18 H16 Er N3 O8 |
SMILES | [Er]12([O]C(=[O]2)c2ccncc2)([OH2])([OH2])([O]=C(c2ccncc2)O[Er]2([O]=C(O1)c1ccncc1)([O]=C(O2)c1ccncc1)([OH2])[OH2])(OC(c1ccncc1)=O)OC(c1ccncc1)=O |
Title of publication | <i>catena</i>-Poly[[diaqua(isonicotinato-κ^2^<i>O</i>,<i>O</i>')erbium(III)]-di-μ-isonicotinato-κ^4^<i>O</i>:<i>O</i>'] |
Authors of publication | Guo-Ming Wang; Chun-Sheng Duan; Zeng-Xin Li; Shu-Yun Xue; Qiang Liang |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2006 |
Journal volume | 62 |
Journal issue | 11 |
Pages of publication | m3080 - m3082 |
a | 15.769 ± 0.0005 Å |
b | 14.066 ± 0.0002 Å |
c | 9.5009 ± 0.0004 Å |
α | 90° |
β | 98.06 ± 0.003° |
γ | 90° |
Cell volume | 2086.55 ± 0.11 Å3 |
Cell temperature | 294 ± 2 K |
Ambient diffraction temperature | 294 ± 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 | 0.0241 |
Residual factor for significantly intense reflections | 0.0213 |
Weighted residual factors for significantly intense reflections | 0.0512 |
Weighted residual factors for all reflections included in the refinement | 0.0516 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
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/2211049.html
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Users of the data should acknowledge the original authors of the
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