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Information card for entry 4113916
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| Coordinates | 4113916.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | [((Ph2SiP2)Pt)2(biphenyl)][B(C6F5)4]24oxylene |
|---|---|
| Formula | C168 H118 B2 F40 P4 Pt2 Si2 |
| Calculated formula | C163.2 H112 B2 F40 P4 Pt2 Si2 |
| Title of publication | Zwitterionic and Cationic Bis(phosphine) Platinum(II) Complexes: Structural, Electronic, and Mechanistic Comparisons Relevant to Ligand Exchange and Benzene C-H Activation Processes |
| Authors of publication | J. Christopher Thomas; Jonas C. Peters |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2003 |
| Journal volume | 125 |
| Pages of publication | 8870 - 8888 |
| a | 15.3609 ± 0.0008 Å |
| b | 17.3619 ± 0.0009 Å |
| c | 32.5391 ± 0.0017 Å |
| α | 93.281 ± 0.001° |
| β | 95.378 ± 0.001° |
| γ | 105.286 ± 0.001° |
| Cell volume | 8303.7 ± 0.8 Å3 |
| Cell temperature | 98 ± 2 K |
| Ambient diffraction temperature | 98 ± 2 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 | 0.1675 |
| Residual factor for significantly intense reflections | 0.1267 |
| Weighted residual factors for significantly intense reflections | 0.2483 |
| Weighted residual factors for all reflections included in the refinement | 0.2521 |
| Goodness-of-fit parameter for all reflections included in the refinement | 4.558 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 211332 (current) | 2018-10-05 | cif/ Fixing enumeration values for CIF data items _atom_sites_solution_* using cif_fix_values. Data item relocations and exclusion of CIF comment lines might have occurred due to the usage of cif_filter. |
4113916.cif |
| 178910 | 2016-03-22 | cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/39. |
4113916.cif |
| 120077 | 2014-07-12 | Adding DOIs to range 4/11 structures. | 4113916.cif |
| 67192 | 2012-09-20 | cif/ Adding structures of 4113916 via cif-deposit CGI script. |
4113916.cif |
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Users of the data should acknowledge the original authors of the
structural data.