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Information card for entry 4072867
Preview
| Coordinates | 4072867.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C58 H50 P2 Pt2 |
|---|---|
| Calculated formula | C58 H50 P2 Pt2 |
| SMILES | [P]1(c2c(cccc2)C[Pt]231[C](#[C]3[Pt]13([C](#[C]21)c1ccccc1)[P](c1c(cccc1)C3)(c1c(cccc1)C)c1c(cccc1)C)c1ccccc1)(c1c(cccc1)C)c1c(C)cccc1 |
| Title of publication | New Mono- and Polynuclear Alkynyl Complexes Containing Phenylacetylide as Terminal or Bridging Ligand. X-ray Structures of the Compounds NBu4[Pt(CH2C6H4P(o-tolyl)2-κC,P)(C⋮CPh)2], [Pt(CH2C6H4P(o-tolyl)2-κC,P)(C⋮CPh)(CO)], [{Pt(CH2C6H4P(o-tolyl)2-κC,P)(μ-C⋮CPh)}2], and [{Pt(CH2C6H4P(o-tolyl)2-κC,P)(C⋮CPh)2Cu}2] |
| Authors of publication | Casas, José M.; Forniés, Juan; Fuertes, Sara; Martín, Antonio; Sicilia, Violeta |
| Journal of publication | Organometallics |
| Year of publication | 2007 |
| Journal volume | 26 |
| Journal issue | 7 |
| Pages of publication | 1674 |
| a | 13.7767 ± 0.0004 Å |
| b | 7.8071 ± 0.0003 Å |
| c | 22.3544 ± 0.0006 Å |
| α | 90° |
| β | 99.827 ± 0.002° |
| γ | 90° |
| Cell volume | 2369.07 ± 0.13 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 13 |
| Hermann-Mauguin space group symbol | P 1 2/n 1 |
| Hall space group symbol | -P 2yac |
| Residual factor for all reflections | 0.0206 |
| Residual factor for significantly intense reflections | 0.018 |
| Weighted residual factors for significantly intense reflections | 0.0398 |
| Weighted residual factors for all reflections included in the refinement | 0.0407 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.072 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178617 (current) | 2016-03-21 | cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/28. |
4072867.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4072867.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4072867.cif |
| 46041 | 2012-03-21 | ../uploads/cif-deposit/cod/cif Adding structures of 4072865, 4072866, 4072867, 4072868 via cif-deposit CGI script. |
4072867.cif |
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