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Information card for entry 4331671
Preview
| Coordinates | 4331671.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | C13 H28 Cl2 Cr N4, F6 P, C2 H3 N |
|---|---|
| Formula | C15 H31 Cl2 Cr F6 N5 P |
| Calculated formula | C15 H31 Cl2 Cr F6 N5 P |
| SMILES | [Cr]123(Cl)(Cl)[NH]4CCC[NH]3CC[N]32CCC[N]1(CC4)CCC3.N#CC.[P](F)(F)(F)(F)(F)[F-] |
| Title of publication | Effects of steric constraint on chromium(III) complexes of tetraazamacrocycles, 2. Comparison of the chemistry and photobehavior of the trans-dichloro- and trans-dicyano- complexes of cyclam, 1,4-C2-cyclam, and 1,11-C3-cyclam. |
| Authors of publication | Wagenknecht, Paul S.; Hu, Chuanjiang; Ferguson, Denise; Nathan, Lawrence C.; Hancock, Robert D.; Whitehead, Jason R.; Wright-Garcia, Kimberley; Vagnini, Michael T. |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2005 |
| Journal volume | 44 |
| Journal issue | 25 |
| Pages of publication | 9518 - 9526 |
| a | 25.762 ± 0.006 Å |
| b | 7.557 ± 0.003 Å |
| c | 25.693 ± 0.007 Å |
| α | 90° |
| β | 116.99 ± 0.02° |
| γ | 90° |
| Cell volume | 4457 ± 3 Å3 |
| Cell temperature | 193 K |
| Ambient diffraction temperature | 193 K |
| Number of distinct elements | 7 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for significantly intense reflections | 0.0914 |
| Weighted residual factors for all reflections included in the refinement | 0.258 |
| Goodness-of-fit parameter for significantly intense reflections | 1.025 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179419 (current) | 2016-03-23 | cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/16. |
4331671.cif |
| 120067 | 2014-07-11 | cif/ Updating files of 4331671 Original log message: Adding full bibliography for 4331671.cif. |
4331671.cif |
| 97791 | 2014-01-29 | cif/ Adding structures of 4331671 via cif-deposit CGI script. |
4331671.cif |
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Users of the data should acknowledge the original authors of the
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