Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4305636
Preview
| Coordinates | 4305636.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C41 H52 N4 O2 Ru |
|---|---|
| Calculated formula | C41 H52 N4 O2 Ru |
| Title of publication | Synthetic and Mechanistic Aspects of a New Method for Ruthenium-Metalation of Porphyrins and Schiff-Bases |
| Authors of publication | Júlio S. Rebouças; Elizabeth L. S. Cheu; Caroline J. Ware; Brian R. James; Kirsten A. Skov |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2008 |
| Journal volume | 47 |
| Pages of publication | 7894 - 7907 |
| a | 10.442 ± 0.0008 Å |
| b | 32.418 ± 0.002 Å |
| c | 10.7811 ± 0.0002 Å |
| α | 90° |
| β | 99.5847 ± 0.0007° |
| γ | 90° |
| Cell volume | 3598.6 ± 0.4 Å3 |
| Cell temperature | 150.2 K |
| Ambient diffraction temperature | 150.2 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 | 0.0964 |
| Residual factor for significantly intense reflections | 0.044 |
| Weighted residual factors for all reflections | 0.077 |
| Weighted residual factors for all reflections included in the refinement | 0.034 |
| Goodness-of-fit parameter for all reflections | 1.206 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.206 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| 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. |
4305636.cif |
| 129439 | 2015-01-07 | cod/ (robertas@burundukas) Correcting values of _exptl_crystal_density_meas and _exptl_crystal_density_method data items: codsql "select codid from validation where message like '%\\'_exptl_crystal_density_meas\\' value \"not measured\" is %'" -NB \ | codid2file \ | xargs perl -i -pe "s/_exptl_crystal_density_meas\\s+'not +measured'/_exptl_crystal_density_meas ?/i; \ s/_exptl_crystal_density_method\\s+('not +measured'|\\?|none)/_exptl_crystal_density_method ./i" |
4305636.cif |
| 120081 | 2014-07-12 | Adding DOIs to range 4/30 structures. | 4305636.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4305636.cif |
| 1167 | 2010-05-13 | cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19. |
4305636.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.