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Information card for entry 7018222
Preview
| Coordinates | 7018222.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H42 B2 Cl4 Co N18 |
|---|---|
| Calculated formula | C25.999 H41.998 B2 Cl3.998 Co N18 |
| Title of publication | Crowded bis ligand complexes of Ttz(Ph,Me) with first row transition metals rearrange due to ligand field effects: structural and electronic characterization (Ttz(Ph,Me) = tris(3-phenyl-5-methyl-1,2,4-triazolyl)borate). |
| Authors of publication | Oseback, Shannon N.; Shim, Sarah W.; Kumar, Mukesh; Greer, Samuel M.; Gardner, Sean R.; Lemar, Keisha M.; Degregory, Paul R.; Papish, Elizabeth T.; Tierney, David L.; Zeller, Matthias; Yap, Glenn P. A. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2012 |
| Journal volume | 41 |
| Journal issue | 9 |
| Pages of publication | 2774 - 2787 |
| a | 10.5094 ± 0.0016 Å |
| b | 10.5276 ± 0.0017 Å |
| c | 19.314 ± 0.004 Å |
| α | 101.173 ± 0.003° |
| β | 96.336 ± 0.003° |
| γ | 114.198 ± 0.002° |
| Cell volume | 1868.7 ± 0.6 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0713 |
| Residual factor for significantly intense reflections | 0.0593 |
| Weighted residual factors for significantly intense reflections | 0.1648 |
| Weighted residual factors for all reflections included in the refinement | 0.1777 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.065 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179886 (current) | 2016-03-25 | cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/82. |
7018222.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7018222.cif |
| 37690 | 2012-03-04 | ../uploads/cif-deposit/cod/cif Adding structures of 7018214, 7018215, 7018216, 7018217, 7018218, 7018219, 7018220, 7018221, 7018222, 7018223, 7018224 via cif-deposit CGI script. |
7018222.cif |
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