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Information card for entry 4322235
Preview
| Coordinates | 4322235.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C13.5 H23 Cl3 N2 O2 V |
|---|---|
| Calculated formula | C13.5 H23 Cl3 N2 O2 V |
| SMILES | [V]1(Cl)(Cl)(=O)Oc2c(cc(cc2C[NH+](C)C)C)C[N]1(C)C.ClCCl |
| Title of publication | Synthesis and Characterization of O,N-Chelated Vanadium(IV) Oxo Phenolate Complexes: Electronic Effect of Meta and Para Substituents on the Vanadium Center |
| Authors of publication | Henk Hagen; Antonio Barbon; Ernst E. van Faassen; Bert T. G. Lutz; Jaap Boersma; Anthony L. Spek; Gerard van Koten |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 1999 |
| Journal volume | 38 |
| Pages of publication | 4079 - 4086 |
| a | 17.9977 ± 0.0015 Å |
| b | 15.7445 ± 0.0009 Å |
| c | 14.4986 ± 0.0006 Å |
| α | 90° |
| β | 113.206 ± 0.005° |
| γ | 90° |
| Cell volume | 3776 ± 0.4 Å3 |
| Cell temperature | 225 K |
| Ambient diffraction temperature | 225 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0588 |
| Residual factor for significantly intense reflections | 0.0416 |
| Weighted residual factors for significantly intense reflections | 0.101 |
| Weighted residual factors for all reflections included in the refinement | 0.1104 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 258736 (current) | 2020-11-05 | cif/4 Fixing wrong Z values and formulae |
4322235.cif |
| 179325 | 2016-03-23 | cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/22. |
4322235.cif |
| 120105 | 2014-07-12 | Adding DOIs to range 4/32 structures. | 4322235.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4322235.cif |
| 20503 | 2011-06-10 | ../uploads/cif-deposit/cod/cif Adding structures of 4322235 via cif-deposit CGI script. |
4322235.cif |
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Users of the data should acknowledge the original authors of the
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