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Information card for entry 4501581
Preview
| Coordinates | 4501581.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H14 Cu F4 N2 O4 |
|---|---|
| Calculated formula | C21 H14.003 Cu F4 N2 O4 |
| Title of publication | Dimensionality Trends in Metal−Organic Frameworks Containing Perfluorinated or Nonfluorinated Benzenedicarboxylates |
| Authors of publication | Hulvey, Zeric; Furman, Joshua D.; Turner, Sara A.; Tang, Min; Cheetham, Anthony K. |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2010 |
| Journal volume | 10 |
| Journal issue | 5 |
| Pages of publication | 2041 |
| a | 9.4448 ± 0.0009 Å |
| b | 15.7681 ± 0.0016 Å |
| c | 13.5606 ± 0.0013 Å |
| α | 90° |
| β | 107.067 ± 0.002° |
| γ | 90° |
| Cell volume | 1930.6 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 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 | 0.0896 |
| Residual factor for significantly intense reflections | 0.0541 |
| Weighted residual factors for significantly intense reflections | 0.111 |
| Weighted residual factors for all reflections included in the refinement | 0.1241 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179546 (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 4/50/15. |
4501581.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4501581.cif |
| 35976 | 2012-03-01 | ../uploads/cif-deposit/cod/cif Adding structures of 4501568, 4501569, 4501570, 4501571, 4501572, 4501573, 4501574, 4501575, 4501576, 4501577, 4501578, 4501579, 4501580, 4501581, 4501582, 4501583, 4501584, 4501585, 4501586, 4501587 via cif-deposit CGI script. |
4501581.cif |
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Users of the data should acknowledge the original authors of the
structural data.