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Information card for entry 4077510
Preview
| Coordinates | 4077510.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H27 Br3 Hg1.5 O2 P Pt |
|---|---|
| Calculated formula | C26 H27 Br3 Hg1.5 O2 P Pt |
| Title of publication | Reactivity of [M(C∧P)(acac-O,O‘)] [M = Pt, Pd; C∧P = CH2-C6H4-P(o-tolyl)2-κC,P; acac = 2,4-pentanedionato] toward HgX2(X = Br, I, CH3COO, CF3COO). New Polynuclear Complexes Containing Pt−Hg Bonds. Molecular Structures of [{Pt(C∧P)(acac-O,O‘)- HgBr(μ-Br)}2(μ-HgBr2)], an Unprecedented Square-Planar Bromomercurate Complex, and [{Pt(C∧P)(μ-O2CCH3)2Hg(μ3-acac2‒κC3,O)Hg(O2CCH3-κO)}· CHCl3]2, the First Complex Containing Asymmetric Dimercurated Acetylacetone |
| Authors of publication | Ara, Irene; Falvello, Larry R.; Forniés, Juan; Sicilia, Violeta; Villarroya, Pablo |
| Journal of publication | Organometallics |
| Year of publication | 2000 |
| Journal volume | 19 |
| Journal issue | 16 |
| Pages of publication | 3091 |
| a | 21.787 ± 0.004 Å |
| b | 8.178 ± 0.002 Å |
| c | 32.205 ± 0.006 Å |
| α | 90° |
| β | 97.23 ± 0.03° |
| γ | 90° |
| Cell volume | 5692 ± 2 Å3 |
| Cell temperature | 153 ± 2 K |
| Ambient diffraction temperature | 153 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | I 1 2/a 1 |
| Hall space group symbol | -I 2ya |
| Residual factor for all reflections | 0.1058 |
| Residual factor for significantly intense reflections | 0.0494 |
| Weighted residual factors for all reflections | 0.1388 |
| Weighted residual factors for significantly intense reflections | 0.1157 |
| Goodness-of-fit parameter for all reflections | 1.021 |
| Goodness-of-fit parameter for significantly intense reflections | 1.118 |
| Diffraction radiation wavelength | 0.71073 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. |
4077510.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. |
4077510.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4077510.cif |
| 54602 | 2012-04-28 | cif/ Adding structures of 4077510, 4077511 via cif-deposit CGI script. |
4077510.cif |
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