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Information card for entry 4325498
Preview
Coordinates | 4325498.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C19 H22 N5 O14 Pr Zn |
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Calculated formula | C19 H22 N5 O14 Pr Zn |
SMILES | [N]12=Cc3cccc4[O](C)[Pr]56789([O](c34)[Zn]32([N](CCC1)=Cc1cccc([O]6C)c1[O]53)[OH2])(ON(=[O]7)=O)(ON(=[O]8)=O)ON(=[O]9)=O |
Title of publication | Study of the Luminescent and Magnetic Properties of a Series of Heterodinuclear [ZnIILnIII] Complexes |
Authors of publication | Traian D. Pasatoiu; Carmen Tiseanu; Augustin M. Madalan; Bogdan Jurca; Carine Duhayon; Jean Pascal Sutter; Marius Andruh |
Journal of publication | Inorganic Chemistry |
Year of publication | 2011 |
Journal volume | 50 |
Pages of publication | 5879 - 5889 |
a | 8.8636 ± 0.0003 Å |
b | 28.9754 ± 0.0007 Å |
c | 10.1774 ± 0.0004 Å |
α | 90° |
β | 102.853 ± 0.004° |
γ | 90° |
Cell volume | 2548.33 ± 0.15 Å3 |
Cell temperature | 180 K |
Ambient diffraction temperature | 180 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0322 |
Residual factor for significantly intense reflections | 0.0271 |
Weighted residual factors for all reflections | 0.022 |
Weighted residual factors for significantly intense reflections | 0.0216 |
Weighted residual factors for all reflections included in the refinement | 0.0213 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.1648 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
176467 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4325498.cif |
91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4325498.cif |
44568 | 2012-03-16 | ../uploads/cif-deposit/cod/cif Adding structures of 4325498 via cif-deposit CGI script. |
4325498.cif |
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Users of the data should acknowledge the original authors of the
structural data.