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Information card for entry 4342647
Preview
| Coordinates | 4342647.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C90 H110 Dy2 Fe4 N5 O26 |
|---|---|
| Calculated formula | C90 H110 Dy2 Fe4 N5 O26 |
| SMILES | [Dy]123456([O]=C(c7ccccc7)O[Fe]789([O]4CC[N]7(CC[O]9[Fe]479%10[OH]2[Dy]2%11%12([O]=C(c%13ccccc%13)O[Fe]%13%14%15([O]%162[Fe]2([OH]3%12)([O]6CC[N]2(CC%16)CCCC)([O]%14CC[N]%15(CC[O]%11%13)CCCC)[O]=C(O1)c1ccccc1)OC(=O)c1ccccc1)([O]%10CC[N]4(CC[O]589)CCCC)([O]=C(O7)c1ccccc1)OC(=O)c1ccccc1)CCCC)OC(=O)c1ccccc1)OC(=O)c1ccccc1.N#CC |
| Title of publication | Developing a "Highway Code" To Steer the Structural and Electronic Properties of Fe(III)/Dy(III) Coordination Clusters. |
| Authors of publication | Chen, Sihuai; Mereacre, Valeriu; Prodius, Denis; Kostakis, George E.; Powell, Annie K. |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2015 |
| Journal volume | 54 |
| Journal issue | 7 |
| Pages of publication | 3218 - 3227 |
| a | 15.3144 ± 0.0016 Å |
| b | 29.19 ± 0.004 Å |
| c | 22.497 ± 0.002 Å |
| α | 90° |
| β | 108.001 ± 0.012° |
| γ | 90° |
| Cell volume | 9565 ± 2 Å3 |
| Cell temperature | 298 K |
| Ambient diffraction temperature | 298 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 | 0.0754 |
| Residual factor for significantly intense reflections | 0.0439 |
| Weighted residual factors for significantly intense reflections | 0.1013 |
| Weighted residual factors for all reflections included in the refinement | 0.1104 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.894 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179529 (current) | 2016-03-24 | cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/26. |
4342647.cif |
| 138086 | 2015-06-05 | cif/ Updating files of 4342647, 4342648, 4342649, 4342650 Original log message: Adding full bibliography for 4342647--4342650.cif. |
4342647.cif |
| 133638 | 2015-03-08 | cif/ Adding structures of 4342647, 4342648, 4342649, 4342650 via cif-deposit CGI script. |
4342647.cif |
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