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Information card for entry 4321855
Preview
| Coordinates | 4321855.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C178 H100 Cl2 F60 Ga4 Mn2 O2 P8 |
|---|---|
| Calculated formula | C178 H96 Cl2 F60 Ga4 Mn2 O2 P8 |
| Title of publication | Reversible Displacement of Polyagostic Interactions in 16e [Mn(CO)(R2PC2H4PR2)2]+ by H2, N2, and SO2. Binding and Activation of η2-H2 trans to CO Is Nearly Invariant to Changes in Charge and cis Ligands |
| Authors of publication | Wayne A. King; Brian L. Scott; Juergen Eckert; Gregory J. Kubas |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 1999 |
| Journal volume | 38 |
| Pages of publication | 1069 - 1084 |
| a | 10.224 ± 0.004 Å |
| b | 32.732 ± 0.027 Å |
| c | 24.31 ± 0.009 Å |
| α | 90° |
| β | 97.69 ± 0.03° |
| γ | 90° |
| Cell volume | 8062 ± 8 Å3 |
| Cell temperature | 138 K |
| Ambient diffraction temperature | 138 K |
| Number of distinct elements | 8 |
| 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 | 0.1338 |
| Residual factor for significantly intense reflections | 0.0798 |
| Weighted residual factors for all reflections | 0.22 |
| Weighted residual factors for significantly intense reflections | 0.1884 |
| Goodness-of-fit parameter for all reflections | 1.039 |
| Goodness-of-fit parameter for significantly intense reflections | 1.143 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179321 (current) | 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 4/32/18. |
4321855.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. |
4321855.cif |
| 120105 | 2014-07-12 | Adding DOIs to range 4/32 structures. | 4321855.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4321855.cif |
| 19666 | 2011-05-22 | ../uploads/cif-deposit/cod/cif Adding structures of 4321855 via cif-deposit CGI script. |
4321855.cif |
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Users of the data should acknowledge the original authors of the
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