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Information card for entry 4071587
Preview
| Coordinates | 4071587.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C53 H46 Cl4 Fe2 N2 O2 |
|---|---|
| Calculated formula | C53 H46 Cl4 Fe2 N2 O2 |
| Title of publication | A New Approach for Ferrocenyl-Cyclopentenone and Ferrocenyl-Cyclopentenedione Compound Synthesis |
| Authors of publication | Li, Jie; Ma, Jian-Ping; Liu, Fengling; Wu, Xiang-Wen; Dong, Yu-Bin; Huang, Ru-Qi |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 21 |
| Pages of publication | 5446 |
| a | 28.871 ± 0.007 Å |
| b | 7.5729 ± 0.0017 Å |
| c | 10.514 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2298.8 ± 0.9 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 31 |
| Hermann-Mauguin space group symbol | P m n 21 |
| Hall space group symbol | P 2ac -2 |
| Residual factor for all reflections | 0.1308 |
| Residual factor for significantly intense reflections | 0.0886 |
| Weighted residual factors for significantly intense reflections | 0.2112 |
| Weighted residual factors for all reflections included in the refinement | 0.2314 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 287926 (current) | 2023-12-01 | cif/ Corrected the misspelt variants of the '_chemical_absolute_configuration' data name in entries 1502829, 1512241, 4070388, 4071587, 4079072, 4515819, 7016382, 7020092, 7107390, 7151643, 7207221. |
4071587.cif |
| 178604 | 2016-03-21 | cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/15. |
4071587.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4071587.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4071587.cif |
| 43928 | 2012-03-15 | ../uploads/cif-deposit/cod/cif Adding structures of 4071587 via cif-deposit CGI script. |
4071587.cif |
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Users of the data should acknowledge the original authors of the
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