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Information card for entry 4322496
Preview
| Coordinates | 4322496.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | μ~4~oxo-hexaμ~2~chloro tetrakisimidazole tetracopper(II) methanol = solvate |
|---|---|
| Formula | C9.83 H19.32 Cl Cu4 N6 O1.83 |
| Calculated formula | C12.83 H19.32 Cl6 Cu4 N8 O1.83 |
| Title of publication | Magnetostructural Characterization of μ4-Oxohexa-μ2-chlorotetrakis(imidazole)copper(II) |
| Authors of publication | Ana María Atria; Andrés Vega; Martín Contreras; Jorge Valenzuela; Evgenia Spodine |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 1999 |
| Journal volume | 38 |
| Pages of publication | 5681 - 5685 |
| a | 11.469 ± 0.002 Å |
| b | 13.933 ± 0.002 Å |
| c | 16.778 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2681.1 ± 0.8 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0458 |
| Residual factor for significantly intense reflections | 0.0322 |
| Weighted residual factors for significantly intense reflections | 0.0695 |
| Weighted residual factors for all reflections included in the refinement | 0.0734 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.933 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176467 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4322496.cif |
| 134621 | 2015-04-02 | The 'cif_fix_values' script with an option '--fix-only-weighting-scheme' and 'cif_filter' script were run over CIF files which included an incorrect value of the data item '_refine_ls_weighting_scheme'. Read the log for more details. There were more than 18k CIF files with values to modify. Usually these incorrect values include comment with formulas, but values of this data item must be an enumerator. The script creates new data item '_refine_ls_weighting_details' to store these comments with formulas, and writes the enumerator 'calc' as a value of data item '_refine_ls_weighting_scheme'. There exists some exceptions in the script. |
4322496.cif |
| 120105 | 2014-07-12 | Adding DOIs to range 4/32 structures. | 4322496.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4322496.cif |
| 20778 | 2011-06-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4322496 via cif-deposit CGI script. |
4322496.cif |
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