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Information card for entry 4308358
Preview
| Coordinates | 4308358.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C38 H62 Cl4 Co2 N10 O21 |
|---|---|
| Calculated formula | C38 H52 Cl4 Co2 N10 O21 |
| SMILES | [Co]1234([OH2])[n]5ccccc5C[N]51CC[N]3(Cc1[n]2cccc1)CC[N]4(CC5)CC[N]12[Co]345([OH2])[N](CC1)(Cc1[n]3cccc1)CC[N]5(Cc1[n]4cccc1)CC2.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].O.O.O |
| Title of publication | Synthesis, Structure, and Kinetics and Stereochemistry of Base-Catalyzed Hydrolysis of meso- and rac-[Co2(tmpdtne)Cl2]4+, Bis(pentaamine) Complexes Devoid of Deprotonatable NH Centers |
| Authors of publication | Jackson, W. Gregory; Dickie, Alistair J.; McKeon, Josephine A.; Spiccia, Leone; Brudenell, Suzanne J.; Hockless, David C. R.; Willis, Anthony C. |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2005 |
| Journal volume | 44 |
| Journal issue | 2 |
| Pages of publication | 401 - 409 |
| a | 13.331 ± 0.003 Å |
| b | 23.353 ± 0.005 Å |
| c | 16.478 ± 0.004 Å |
| α | 90° |
| β | 94.98 ± 0.02° |
| γ | 90° |
| Cell volume | 5111 ± 2 Å3 |
| Cell temperature | 296.2 K |
| Ambient diffraction temperature | 296.2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/a 1 |
| Hall space group symbol | -P 2yab |
| Residual factor for all reflections | 0.3506 |
| Residual factor for significantly intense reflections | 0.0901 |
| Weighted residual factors for all reflections | 0.127 |
| Weighted residual factors for all reflections included in the refinement | 0.0764 |
| Goodness-of-fit parameter for all reflections | 1.5 |
| Goodness-of-fit parameter for all reflections included in the refinement | 2.096 |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 210147 (current) | 2018-08-26 | cif/4/30/ Updating bibliography in entries 4300761, 4308358. Marking entry 4300761 as a duplicate of entry 4308358. |
4308358.cif |
| 176467 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4308358.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" |
4308358.cif |
| 120081 | 2014-07-12 | Adding DOIs to range 4/30 structures. | 4308358.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4308358.cif |
| 32063 | 2012-01-26 | cif/4 Correction of volume and publication year for files coming from a couple of issues of Inorg. Chem. The mistake was made when fetching bibliography for these entries and detected just now. I have checked that all other Inorg. Chem. files are correct. |
4308358.cif |
| 1526 | 2010-09-26 | cif/4/ Adding new CIFs from Inorg. Chem. 2005 deposited via Web deposition site to the COD test database (and transferede to the main COD database after renaming). |
4308358.cif |
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