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Information card for entry 2232042
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| Coordinates | 2232042.cif |
|---|---|
| Structure factors | 2232042.hkl |
| Original IUCr paper | HTML |
| Chemical name | Di-μ-chlorido-bis[diacetonitrilechloridooxidovanadium(IV)] |
|---|---|
| Formula | C8 H12 Cl4 N4 O2 V2 |
| Calculated formula | C8 H12 Cl4 N4 O2 V2 |
| SMILES | [V]1([N]#CC)(Cl)([N]#CC)(=O)[Cl][V]([N]#CC)(Cl)([N]#CC)(=O)[Cl]1 |
| Title of publication | Di-μ-chlorido-bis[diacetonitrilechloridooxidovanadium(IV)] |
| Authors of publication | Dastych, Dalibor; Rotter, Pavel; Demo, Gabriel; Dastychová, Lenka |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 10 |
| Pages of publication | m1398 |
| a | 7.0242 ± 0.0006 Å |
| b | 8.1388 ± 0.0006 Å |
| c | 8.7118 ± 0.0005 Å |
| α | 86.536 ± 0.006° |
| β | 66.806 ± 0.007° |
| γ | 74.374 ± 0.007° |
| Cell volume | 440.28 ± 0.06 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 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 | 0.0335 |
| Residual factor for significantly intense reflections | 0.0314 |
| Weighted residual factors for significantly intense reflections | 0.1025 |
| Weighted residual factors for all reflections included in the refinement | 0.1031 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.248 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181242 (current) | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/20. |
2232042.cif 2232042.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2232042.cif 2232042.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2232042.cif 2232042.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2232042.cif 2232042.hkl |
| 29951 | 2011-11-08 | hkl/ Adding the most recent Fobs data from the IUCr journals. |
2232042.cif 2232042.hkl |
| 29331 | 2011-11-02 | ../uploads/cif-deposit/cod/cif Adding structures of 2232042 via cif-deposit CGI script. |
2232042.cif |
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Users of the data should acknowledge the original authors of the
structural data.