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Information card for entry 4323998
Preview
| Coordinates | 4323998.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | tetrakis(mu-4,7-H-5methyl-7-oxo-s- triazolo(1,5a)pyrimidinato)diplatinum(II) bis(dimethylsulphoxide) solvate |
|---|---|
| Formula | C28 H32 N16 O6 Pt2 S2 |
| Calculated formula | C28 H32 N16 O6 Pt2 S2 |
| Title of publication | Binuclear Platinum(II) Triazolopyrimidine Bridged Complexes. Preparation, Crystal Structure, NMR Spectroscopy, and ab Initio MO Investigation on the Bonding Nature of the Pt(II)···Pt(II) Interaction in the Model Compound {Pt2[NHCHN(C(CH2)(CH3))]4}} |
| Authors of publication | Navarro, Jorge A. R.; Romero, M. Angustias; Salas, Juan M.; Quirós, Miguel; El Bahraoui, Jaouad; Molina, José |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 1996 |
| Journal volume | 35 |
| Journal issue | 26 |
| Pages of publication | 7829 - 7835 |
| a | 14.207 ± 0.003 Å |
| b | 15.187 ± 0.003 Å |
| c | 17.165 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3703.5 ± 1.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 60 |
| Hermann-Mauguin space group symbol | P b c n |
| Hall space group symbol | -P 2n 2ab |
| Residual factor for all reflections | 0.2496 |
| Residual factor for significantly intense reflections | 0.0933 |
| Weighted residual factors for all reflections | 0.1536 |
| Weighted residual factors for significantly intense reflections | 0.1152 |
| Goodness-of-fit parameter for all reflections | 1.078 |
| Goodness-of-fit parameter for significantly intense reflections | 1.402 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Duplicate of | 1101137 |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 210307 (current) | 2018-09-01 | cif/ Updating bibliography in entry 1101137, 4323998. Marking entry 1101137 as a duplicate of entry 4323998. |
4323998.cif |
| 179342 | 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 4/32/39. |
4323998.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. |
4323998.cif |
| 120105 | 2014-07-12 | Adding DOIs to range 4/32 structures. | 4323998.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4323998.cif |
| 24250 | 2011-08-14 | ../uploads/cif-deposit/cod/cif Adding structures of 4323998 via cif-deposit CGI script. |
4323998.cif |
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