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Information card for entry 4115878
Preview
| Coordinates | 4115878.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C45 H56 Cl2 N8 Ni2 O11 |
|---|---|
| Calculated formula | C45 H56 Cl2 N8 Ni2 O11 |
| Title of publication | Synthesis, Structures, and Properties of Bis(μ-oxo)nickel(III) and Bis(μ-superoxo)nickel(II) Complexes: An Unusual Conversion of a NiIII2(μ-O)2 Core into a NiII2(μ-OO)2 Core by H2O2 and Oxygenation of Ligand |
| Authors of publication | Kazushi Shiren; Seiji Ogo; Shuhei Fujinami; Hideki Hayashi; Masatatsu Suzuki; Akira Uehara; Yoshihito Watanabe; Yoshihiko Moro-oka |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2000 |
| Journal volume | 122 |
| Pages of publication | 254 - 262 |
| a | 12.916 ± 0.003 Å |
| b | 17.394 ± 0.003 Å |
| c | 11.7 ± 0.003 Å |
| α | 107.22 ± 0.02° |
| β | 108.63 ± 0.02° |
| γ | 84.53 ± 0.02° |
| Cell volume | 2379.2 ± 1 Å3 |
| Cell temperature | 157 K |
| Ambient diffraction temperature | 157 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 significantly intense reflections | 0.0557 |
| Weighted residual factors for significantly intense reflections | 0.0955 |
| Goodness-of-fit parameter for significantly intense reflections | 1.654 |
| Diffraction radiation wavelength | 0.7107 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. |
4115878.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. |
4115878.cif |
| 120077 | 2014-07-12 | Adding DOIs to range 4/11 structures. | 4115878.cif |
| 70430 | 2012-12-24 | cif/ Adding structures of 4115878 via cif-deposit CGI script. |
4115878.cif |
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