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Information card for entry 1513199
Preview
| Coordinates | 1513199.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C44 H38 Fe N4 O2 P2 Pt S2 |
|---|---|
| Calculated formula | C44 H38 Fe N4 O2 P2 Pt S2 |
| SMILES | [Pt]1([P]([c]23[cH]4[Fe]56789%102([cH]4[cH]5[cH]36)[c]2([cH]7[cH]8[cH]9[cH]%102)[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(n1c(=NC(=O)C)scc1)n1c(scc1)=NC(=O)C |
| Title of publication | Platinum and palladium bis(diphenylphosphino)ferrocene (dppf) complexes with heterocyclic N-acetamide ligands: Synthesis and molecular structures of [MCl(sac)(k2-dppf)] (M = Pt, Pd, sac = saccharinate), [PtCl(ata)(k2-dppf)] and [Pt(ata)2(k2-dppf)] (ataH = N-(2-thiazolyl)acetamide |
| Authors of publication | Subhi A. Al-Jibori; Amina I.A. Al-Nassiry; Graeme Hogarth; Luca Salassa |
| Journal of publication | Inorganica Chimica Acta |
| Year of publication | 2013 |
| Journal volume | 398 |
| Pages of publication | 46 - 53 |
| a | 12.422 ± 0.002 Å |
| b | 23.007 ± 0.004 Å |
| c | 17.388 ± 0.003 Å |
| α | 90° |
| β | 100.469 ± 0.003° |
| γ | 90° |
| Cell volume | 4886.6 ± 1.4 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.1395 |
| Residual factor for significantly intense reflections | 0.0973 |
| Weighted residual factors for significantly intense reflections | 0.2392 |
| Weighted residual factors for all reflections included in the refinement | 0.2644 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.016 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176729 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1513199.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1513199.cif |
| 108723 | 2014-04-03 | cif/1 Fixing formula and Z values |
1513199.cif |
| 91888 | 2013-12-18 | cif/ Adding structures of 1513199 via cif-deposit CGI script. |
1513199.cif |
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