Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4313948
Preview
| Coordinates | 4313948.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C33.5 H53 F3 N3 O4 P S |
|---|---|
| Calculated formula | C33.5 H53 F3 N3 O4 P S |
| Title of publication | Chalcogeno-urea Ligands on a Phosphadiazonium Lewis Acceptor: A New Synthetic Approach to Ch-P Bonds (Ch = O, S, Se) |
| Authors of publication | Neil Burford; Andrew D. Phillips; Heather A. Spinney; Katherine N. Robertson; T. Stanley Cameron; Robert McDonald |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2003 |
| Journal volume | 42 |
| Pages of publication | 4949 - 4954 |
| a | 9.5517 ± 0.0012 Å |
| b | 30.214 ± 0.004 Å |
| c | 13.1803 ± 0.0015 Å |
| α | 90° |
| β | 95.816 ± 0.003° |
| γ | 90° |
| Cell volume | 3784.2 ± 0.8 Å3 |
| Cell temperature | 193 ± 2 K |
| Ambient diffraction temperature | 193 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.2061 |
| Residual factor for significantly intense reflections | 0.0749 |
| Weighted residual factors for all reflections | 0.2111 |
| Weighted residual factors for significantly intense reflections | 0.1656 |
| Goodness-of-fit parameter for all reflections | 0.882 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176467 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4313948.cif |
| 120093 | 2014-07-12 | Adding DOIs to range 4/31 structures. | 4313948.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4313948.cif |
| 17004 | 2011-03-31 | cif/ Commiting CIFs, that were updated with the 'cif_fix_values' script, using options '--fix-misspelled replacement_values.lst', '--fix-temperature' and '--fix-enums' with built-in table of enum values. The following cmd was used: > (set -x; find ? -name \*.cif | sort | xargs -i sh -c 'if !( > cif_fix_values --fix-misspelled ~/../inputs/replacament_values.lst {} | > cif_filter --add-cif-header {} | > sponge {} ) 2>&1 | grep NOTE; then svn revert {}; > fi' ) & |
4313948.cif |
| 7020 | 2011-01-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4313948 via cif-deposit CGI script. |
4313948.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.