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Information card for entry 7005178
Preview
Coordinates | 7005178.cif |
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Original paper (by DOI) | HTML |
Common name | catena-((mu-pyrimidine-4,6-dicarboxylato-N,O:N,O)-(2,2'- dipyridylamine) -zinc(ii)-water (1/4)) |
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Chemical name | catena-[(mu-pyrimidine-4,6-dicarboxylato-N,O:N,O)-(2,2'-dipyridylamine) -zinc(II)-water (1/4)] |
Formula | C16 H19 Cu N5 O8 |
Calculated formula | C16 H19 Cu N5 O8 |
Title of publication | Rational design of 1-D metal-organic frameworks based on the novel pyrimidine-4,6-dicarboxylate ligand. New insights into pyrimidine through magnetic interaction. |
Authors of publication | Beobide, Garikoitz; Castillo, Oscar; Luque, Antonio; García-Couceiro, Urko; García-Terán, Juan P; Román, Pascual |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2007 |
Journal issue | 25 |
Pages of publication | 2669 - 2680 |
a | 9.928 ± 0.001 Å |
b | 16.232 ± 0.001 Å |
c | 13.412 ± 0.001 Å |
α | 90° |
β | 115.14 ± 0.01° |
γ | 90° |
Cell volume | 1956.6 ± 0.3 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
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 | 0.0663 |
Residual factor for significantly intense reflections | 0.0348 |
Weighted residual factors for significantly intense reflections | 0.0755 |
Weighted residual factors for all reflections included in the refinement | 0.0799 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.841 |
Diffraction radiation wavelength | 0.71069 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7005178.html
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