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Information card for entry 7028184
Preview
| Coordinates | 7028184.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C66 H54 P4 Pt2 |
|---|---|
| Calculated formula | C66 H54 P4 Pt2 |
| Title of publication | New dinuclear platinum(I) complex obtained from thermal degradation of platinum(>0>)‒triphenylphosphine complexes |
| Authors of publication | Bennett, Martin A.; Berry, David E.; Dirnberger, Thomas; Hockless, David C. R.; Wenger, Eric |
| Journal of publication | Journal of the Chemical Society, Dalton Transactions |
| Year of publication | 1998 |
| Journal issue | 14 |
| Pages of publication | 2367 |
| a | 14.345 ± 0.001 Å |
| b | 22.311 ± 0.003 Å |
| c | 17.459 ± 0.003 Å |
| α | 90° |
| β | 97.93 ± 0.01° |
| γ | 90° |
| Cell volume | 5534.3 ± 1.3 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.087 |
| Residual factor for significantly intense reflections | 0.066 |
| Weighted residual factors for all reflections | 0.114 |
| Weighted residual factors for significantly intense reflections | 0.104 |
| Goodness-of-fit parameter for all reflections | 1.403 |
| Goodness-of-fit parameter for significantly intense reflections | 1.492 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | xray_tube |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 190294 (current) | 2017-01-09 | cif/7/02/81/ (antanas@echidna.ibt.lt) Removing the _publ_contact_author data item that contained only placeholder values in entry 7028184. |
7028184.cif |
| 190293 | 2017-01-09 | cif/7/02/ (antanas@echidna.ibt.lt) Changing the _chemical_formula_sum data item value from 'C66 H54 P5 T2' to 'C66 H54 P4 Pt2' in entry 7028184. |
7028184.cif |
| 190292 | 2017-01-09 | cif/7/02/ (antanas@echidna.ibt.lt) Marking attached hydrogen atoms in entry 7028184. |
7028184.cif |
| 190291 | 2017-01-09 | cif/7/02/81/ (antanas@echidna.ibt.lt) Marking atoms "C64", "C65", "C66" and "C64'", "C65'", "C66'" as belonging to disorder group 1 and 2 respectively with the occupancies of 0.5 in entry 7028184 after consulting the original publication. |
7028184.cif |
| 190290 | 2017-01-09 | cif/7/02/ (antanas@echidna.ibt.lt) Adding the _atom_site_type_symbol data item and changing the values of _atom_type_symbol data item to match them in entry 7028184. |
7028184.cif |
| 176432 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
7028184.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. |
7028184.cif |
| 99059 | 2014-01-30 | cif/ Adding structures of 7028184 via cif-deposit CGI script. |
7028184.cif |
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Users of the data should acknowledge the original authors of the
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