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Information card for entry 4304400
Preview
| Coordinates | 4304400.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C128 H132 B2 Cl2 N8 O4 Os2 P4 |
|---|---|
| Calculated formula | C128 H132 B2 Cl2 N8 O4 Os2 P4 |
| Title of publication | Ru and Os Complexes Containing a P,N-Donor Heterotopic Ligand: The Effect of Solvent on Stereochemistry |
| Authors of publication | Dabb, Serin L.; Messerle, Barbara A.; Smith, Matthew K.; Willis, Anthony C. |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2008 |
| Journal volume | 47 |
| Journal issue | 8 |
| Pages of publication | 3034 - 3044 |
| a | 18.4958 ± 0.0001 Å |
| b | 30.271 ± 0.0002 Å |
| c | 20.4361 ± 0.0002 Å |
| α | 90° |
| β | 97.2536 ± 0.0004° |
| γ | 90° |
| Cell volume | 11350.3 ± 0.15 Å3 |
| Cell temperature | 200 K |
| Ambient diffraction temperature | 200 K |
| Number of distinct elements | 8 |
| 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 | 0.0445 |
| Residual factor for significantly intense reflections | 0.0242 |
| Weighted residual factors for all reflections | 0.0733 |
| Weighted residual factors for significantly intense reflections | 0.0561 |
| Weighted residual factors for all reflections included in the refinement | 0.0733 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.9562 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 210348 (current) | 2018-09-02 | cif/4/ Updating bibliography in entries 4304395-4304400, 4333500. Marking entry 4333500 as a duplicate of entry 4304396, |
4304400.cif |
| 179082 | 2016-03-22 | cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/44. |
4304400.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" |
4304400.cif |
| 120081 | 2014-07-12 | Adding DOIs to range 4/30 structures. | 4304400.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4304400.cif |
| 5312 | 2011-01-03 | cif/ Adding files, updated with the 'cif_fix_enum' program and the cif_core.dic dictionary. The enumerator values were fixed, mostly incorrect case, but also some values that had extra underscores, dashes or spaces. Unfortunately, 22 had non-ASCII characters with the 8-th bit set, and these got incorrectly interpreted as latin1 characters and converted to their UTF8 equivalents by Perl. To fix the structures, however, they need to be redeposited from the original files with the new CIFParser/cif_filter version. |
4304400.cif |
| 1163 | 2010-05-11 | cif/4/: committing data from the Inorg-Chem-2008_01-12/ deposition. | 4304400.cif |
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Users of the data should acknowledge the original authors of the
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