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Information card for entry 7001359
Preview
| Coordinates | 7001359.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C25 H28 Cl2 Fe N4 O3 |
|---|---|
| Calculated formula | C25 H28 Cl2 Fe N4 O3 |
| SMILES | [Fe]12345678([c]9([cH]1[cH]2[cH]3[cH]49)C(=O)N[C@@H](C)C(=O)N1[C@H](CCC1)C(=O)Nc1ccncc1)[cH]1[cH]5[cH]6[cH]7[cH]81.ClCCl |
| Title of publication | β-Turn-structure-assembled palladium complexes by complexation-induced self-organization of ferrocene‒dipeptide conjugates |
| Authors of publication | Moriuchi, Toshiyuki; Fujiwara, Takashi; Hirao, Toshikazu |
| Journal of publication | Dalton Transactions |
| Year of publication | 2009 |
| Journal issue | 22 |
| Pages of publication | 4286 - 4288 |
| a | 10.2028 ± 0.0004 Å |
| b | 9.6738 ± 0.0004 Å |
| c | 12.9507 ± 0.0008 Å |
| α | 90° |
| β | 93.389 ± 0.002° |
| γ | 90° |
| Cell volume | 1276 ± 0.11 Å3 |
| Cell temperature | 277.2 K |
| Number of distinct elements | 6 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for significantly intense reflections | 0.0458 |
| Weighted residual factors for all reflections included in the refinement | 0.1252 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.107 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 193981 (current) | 2017-03-05 | cod/ (antanas@kurmis) Correcting misspelt data item names by using the 'cod_correct_tags' script and the replacement file 'data/replacement-values/replacement_tags.lst' from the cod-tools repository (rev. 5006). The correction was mainly focused on removing misspelt versions of the '_geom_*' data items. |
7001359.cif |
| 176453 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7. |
7001359.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7001359.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7001359.cif |
| 1143 | 2010-05-03 | cif/7/ Adding CIFs from Dalton-Trans-2009/ deposition. |
7001359.cif |
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Users of the data should acknowledge the original authors of the
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