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Information card for entry 4502198
Preview
| Coordinates | 4502198.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C45 H46 Cd Fe N8 O12 |
|---|---|
| Calculated formula | C45 H46 Cd Fe N8 O12 |
| Title of publication | Secondary Ligand-Directed Assembly of CdIICoordination Architectures: From 0D to 3D Complexes Based on Ferrocenyl Carboxylate |
| Authors of publication | Shi, Xianju; Wang, Xia; Li, Linke; Hou, Hongwei; Fan, Yaoting |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2010 |
| Journal volume | 10 |
| Journal issue | 6 |
| Pages of publication | 2490 |
| a | 13.776 ± 0.003 Å |
| b | 14.405 ± 0.003 Å |
| c | 14.789 ± 0.003 Å |
| α | 102.87 ± 0.03° |
| β | 111.52 ± 0.03° |
| γ | 103.48 ± 0.03° |
| Cell volume | 2496.1 ± 1.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.085 |
| Residual factor for significantly intense reflections | 0.0684 |
| Weighted residual factors for significantly intense reflections | 0.1422 |
| Weighted residual factors for all reflections included in the refinement | 0.1523 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.15 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179552 (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 4/50/21. |
4502198.cif |
| 132563 | 2015-02-28 | cif/ (antanas@koala.ibt.lt) Removed trailing "===END===" strings from values of '_refine_diff_density_rms' tag for 87 CIFs in range 4. |
4502198.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4502198.cif |
| 36285 | 2012-03-01 | ../uploads/cif-deposit/cod/cif Adding structures of 4502192, 4502193, 4502194, 4502195, 4502196, 4502197, 4502198, 4502199 via cif-deposit CGI script. |
4502198.cif |
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Users of the data should acknowledge the original authors of the
structural data.