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Information card for entry 4116812
Preview
| Coordinates | 4116812.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C32 H108 F12 N33 O41 P2 Pt8 |
|---|---|
| Calculated formula | C32 H96 F12 N33 O41 P1.5 Pt8 |
| Title of publication | New Structural Aspects of α-Pyrrolidinonate- and α-Pyridonate-Bridged, Homo- and Mixed-Valence, Di- and Tetranuclear cis-Diammineplatinum Complexes: Eight New Crystal Structures, Stoichiometric 1:1 Mixture of Pt(2.25+)4 and Pt(2.5+)4, New Quasi-One-Dimensional Halide-Bridged [Pt(2.5+)4-Cl...]∞System, and Consideration of Solution Properties |
| Authors of publication | Ken Sakai; Yuko Tanaka; Yuriko Tsuchiya; Kentaro Hirata; Taro Tsubomura; Seiichiro Iijima; Ashis Bhattacharjee |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 1998 |
| Journal volume | 120 |
| Pages of publication | 8366 - 8379 |
| a | 15.051 ± 0.002 Å |
| b | 17.201 ± 0.002 Å |
| c | 9.8802 ± 0.0006 Å |
| α | 96.939 ± 0.008° |
| β | 92.703 ± 0.008° |
| γ | 64.404 ± 0.009° |
| Cell volume | 2289.9 ± 0.5 Å3 |
| Cell temperature | 296 K |
| Ambient diffraction temperature | 296 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0556 |
| Residual factor for significantly intense reflections | 0.05 |
| Weighted residual factors for all reflections | 0.0584 |
| Weighted residual factors for significantly intense reflections | 0.0576 |
| Goodness-of-fit parameter for significantly intense reflections | 2.77 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| 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. |
4116812.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. |
4116812.cif |
| 120077 | 2014-07-12 | Adding DOIs to range 4/11 structures. | 4116812.cif |
| 72984 | 2013-02-05 | cif/ Adding structures of 4116812 via cif-deposit CGI script. |
4116812.cif |
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