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Information card for entry 4319354
Preview
| Coordinates | 4319354.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C30 H40 Fe2 N2 O2 |
|---|---|
| Calculated formula | C30 H40 Fe2 N2 O2 |
| Title of publication | Structures of a Tetradentate Ferrocenyl Ligand and Its Oxorhenium(V) Complex in Solution and in the Solid State |
| Authors of publication | Otto Knoesen; Philippus L. Wessels; Helmar Görls; Simon Lotz |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2001 |
| Journal volume | 40 |
| Pages of publication | 1199 - 1205 |
| a | 18.616 ± 0.003 Å |
| b | 10.551 ± 0.002 Å |
| c | 28.274 ± 0.004 Å |
| α | 90° |
| β | 98.34 ± 0.01° |
| γ | 90° |
| Cell volume | 5494.8 ± 1.6 Å3 |
| Cell temperature | 183 ± 2 K |
| Ambient diffraction temperature | 183 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.1467 |
| Residual factor for significantly intense reflections | 0.0496 |
| Weighted residual factors for significantly intense reflections | 0.0982 |
| Weighted residual factors for all reflections included in the refinement | 0.113 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.905 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 192782 (current) | 2017-03-02 | cod/ (antanas@echidna.ibt.lt) 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. 5004). The correction was mainly focused on removing misspelt versions of the '_publ_contact_author' loop data items. |
4319354.cif |
| 179273 | 2016-03-23 | cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/93. |
4319354.cif |
| 120093 | 2014-07-12 | Adding DOIs to range 4/31 structures. | 4319354.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4319354.cif |
| 16086 | 2011-03-20 | ../uploads/cif-deposit/cod/cif Adding structures of 4319354 via cif-deposit CGI script. |
4319354.cif |
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Users of the data should acknowledge the original authors of the
structural data.