Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7002385
Preview
| Coordinates | 7002385.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Compound 8a |
|---|---|
| Formula | C58 H53 N3 O3 P3 Y |
| Calculated formula | C58 H53 N3 O3 P3 Y |
| SMILES | [Y]123([O]=P(Cc4n1ccc4)(c1ccccc1)c1ccccc1)([O]=P(Cc1n2ccc1)(c1ccccc1)c1ccccc1)[O]=P(Cc1n3ccc1)(c1ccccc1)c1ccccc1.c1(ccccc1)C |
| Title of publication | Synthesis, structures and reactivity of 2-phosphorylmethyl-1H-pyrrolato complexes of titanium, yttrium and zinc |
| Authors of publication | Broomfield, Lewis M.; Wright, Joseph A.; Bochmann, Manfred |
| Journal of publication | Dalton Transactions |
| Year of publication | 2009 |
| Journal issue | 39 |
| Pages of publication | 8269 - 8279 |
| a | 14.899 ± 0.003 Å |
| b | 18.89 ± 0.003 Å |
| c | 22.165 ± 0.003 Å |
| α | 90° |
| β | 127.768 ± 0.01° |
| γ | 90° |
| Cell volume | 4931.3 ± 1.6 Å3 |
| Cell temperature | 140 ± 2 K |
| Ambient diffraction temperature | 140 ± 2 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 | 0.2801 |
| Residual factor for significantly intense reflections | 0.0892 |
| Weighted residual factors for significantly intense reflections | 0.1283 |
| Weighted residual factors for all reflections included in the refinement | 0.1817 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.857 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 209607 (current) | 2018-08-12 | cif/7/ Updating bibliography in entries 7002380-7002385, 7030517-7030522. Marking entries 7030517-7030522 as duplicates of entries 7002380-7002385. |
7002385.cif |
| 179721 | 2016-03-25 | cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/23. |
7002385.cif |
| 120435 | 2014-07-15 | cif/ (saulius@koala.ibt.lt) Restoring full bibliographies for the 310 COD entries with recently added DOIs (DOIs were generated automatically from the source file names). Mnay (most? all?) of these entries will probably be duplicates of later added ones, so this needs to be checked extra. |
7002385.cif |
| 120433 | 2014-07-15 | cif/ (saulius@koala.ibt.lt) Correcting bibliographies and inserting DOIs for 310 COD entries that had bibliographies wrong, apparently because of the bug in the COD depositions system of the time when they were deposited (the bug is fixed since then; the buggy deposition system would take bibliographies from the previous deposited entry if the bibliography for a new entry wa missing). The DOIs for these entries were restored by synthesising them from the source file names. |
7002385.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7002385.cif |
| 1143 | 2010-05-03 | cif/7/ Adding CIFs from Dalton-Trans-2009/ deposition. |
7002385.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.