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Information card for entry 4326096
Preview
Coordinates | 4326096.cif |
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Original paper (by DOI) | HTML |
Chemical name | poly-{[(mu-oxalato)(mu3-pyrimidine-4,6-dicarboxylato)-k2N,O:k2N',O':kO'' (mu4-pyrimidine-4,6-dicarboxylato)-k2N,O:k2N',O':kO'':kO''')- triacuadisamarium(III)]pentahydrate} |
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Formula | C14 H20 N4 O20 Sm2 |
Calculated formula | C14 H10 N4 O20 Sm2 |
Title of publication | Lanthanide(III)/Pyrimidine-4,6-dicarboxylate/Oxalate Extended Frameworks: A Detailed Study Based on the Lanthanide Contraction and Temperature Effects |
Authors of publication | Javier Cepeda; Rolindes Balda; Garikoitz Beobide; Oscar Castillo; Joaquín Fernández; Antonio Luque; Sonia Pérez-Yáñez; Pascual Román; Daniel Vallejo-Sánchez |
Journal of publication | Inorganic Chemistry |
Year of publication | 2011 |
Journal volume | 50 |
Pages of publication | 8437 - 8451 |
a | 11.868 ± 0.0002 Å |
b | 10.962 ± 0.0003 Å |
c | 19.307 ± 0.0004 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2511.78 ± 0.1 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 33 |
Hermann-Mauguin space group symbol | P n a 21 |
Hall space group symbol | P 2c -2n |
Residual factor for all reflections | 0.0444 |
Residual factor for significantly intense reflections | 0.0312 |
Weighted residual factors for significantly intense reflections | 0.0582 |
Weighted residual factors for all reflections included in the refinement | 0.0595 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.858 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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