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Information card for entry 4513606
Preview
| Coordinates | 4513606.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C31.2 H36.62 Cu3 N8 O5 |
|---|---|
| Calculated formula | C31.2045 H36.612 Cu3 N8 O5 |
| Title of publication | Synthesis and Structural Characterizations of New Coordination Polymers Generated by the Interaction Between the Trinuclear Triangular SBU [Cu3(μ3-OH)(μ-pz)3]2+and 4,4′-Bipyridine. 3° |
| Authors of publication | Condello, Francesca; Garau, Federica; Lanza, Arianna; Monari, Magda; Nestola, Fabrizio; Pandolfo, Luciano; Pettinari, Claudio |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2015 |
| Journal volume | 15 |
| Journal issue | 10 |
| Pages of publication | 4854 |
| a | 8.1127 ± 0.0004 Å |
| b | 11.868 ± 0.0007 Å |
| c | 18.2365 ± 0.0011 Å |
| α | 87.362 ± 0.003° |
| β | 80.026 ± 0.002° |
| γ | 89.25 ± 0.002° |
| Cell volume | 1727.45 ± 0.17 Å3 |
| Cell temperature | 115 ± 2 K |
| Ambient diffraction temperature | 115 ± 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 | 0.062 |
| Residual factor for significantly intense reflections | 0.0435 |
| Weighted residual factors for significantly intense reflections | 0.1329 |
| Weighted residual factors for all reflections included in the refinement | 0.1438 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.061 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176429 (current) | 2016-02-13 | cif/ (antanas@kurmis) Replacing _cod_chemical_formula_sum_orig tag with _cod_original_formula_sum tag in multiple entries since the replaced tag is deprecated according to the COD CIF dictionary. |
4513606.cif |
| 176428 | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
4513606.cif |
| 170033 | 2015-11-06 | cif/ Updating files of 4513604, 4513605, 4513606, 4513607, 4513608 Original log message: Adding full bibliography for 4513604--4513608.cif. |
4513606.cif |
| 155826 | 2015-09-10 | cif/ Adding structures of 4513604, 4513605, 4513606, 4513607, 4513608 via cif-deposit CGI script. |
4513606.cif |
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Users of the data should acknowledge the original authors of the
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