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Information card for entry 4507218
Preview
| Coordinates | 4507218.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C27 H23 Co N3 O5 |
|---|---|
| Calculated formula | C27 H22 Co N3 O5 |
| Title of publication | Concomitant Metal Organic Frameworks of Cobalt(II) and 3-(4-Pyridyl)benzoate: Optimized Synthetic Conditions of Solvatochromic and Thermochromic Systems |
| Authors of publication | Mehlana, Gift; Bourne, Susan A.; Ramon, Gaëlle; Öhrström Lars |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2013 |
| Journal volume | 13 |
| Journal issue | 2 |
| Pages of publication | 633 |
| a | 11.4957 ± 0.0008 Å |
| b | 11.4957 ± 0.0008 Å |
| c | 37.257 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4923.6 ± 0.7 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 96 |
| Hermann-Mauguin space group symbol | P 43 21 2 |
| Hall space group symbol | P 4nw 2abw |
| Residual factor for all reflections | 0.079 |
| Residual factor for significantly intense reflections | 0.0658 |
| Weighted residual factors for significantly intense reflections | 0.1384 |
| Weighted residual factors for all reflections included in the refinement | 0.1432 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.179 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179608 (current) | 2016-03-24 | cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/72. |
4507218.cif |
| 171413 | 2015-12-10 | cod/ (antanas@echidna.ibt.lt) Removing _chemical_name_systematic tags with values 'none', 'NONE' from multiple entries. |
4507218.cif |
| 107967 | 2014-03-25 | cif/4 Changing the � entity to the proper non-English character for many entries in subdir 4 |
4507218.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4507218.cif |
| 73854 | 2013-02-21 | cif/ Adding structures of 4507218 via cif-deposit CGI script. |
4507218.cif |
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Users of the data should acknowledge the original authors of the
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