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Information card for entry 4071388
Preview
| Coordinates | 4071388.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C32 H54 Cl2 O6 P2 Pd |
|---|---|
| Calculated formula | C32 H54 Cl2 O6 P2 Pd |
| SMILES | [C@]12(C[C@@]3(O[C@](C[C@](O1)(O3)C)(C)[P]2(C1CCCCC1)[Pd](Cl)([P]1([C@]2(C[C@@]3(C)O[C@@]1(C[C@@](O2)(O3)C)C)C)C1CCCCC1)Cl)C)C |
| Title of publication | General Routes to Alkyl Phosphatrioxaadamantane Ligands |
| Authors of publication | Downing, Joanne H.; Floure, Joëlle; Heslop, Katie; Haddow, Mairi F.; Hopewell, Jonathan; Lusi, Matteo; Phetmung, Hirahataya; Orpen, A. Guy; Pringle, Paul G.; Pugh, Robert I.; Zambrano-Williams, Damaris |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 13 |
| Pages of publication | 3216 |
| a | 8.375 ± 0.0019 Å |
| b | 9.9901 ± 0.0014 Å |
| c | 11.0436 ± 0.0019 Å |
| α | 87.13 ± 0.014° |
| β | 85.581 ± 0.016° |
| γ | 84.121 ± 0.017° |
| Cell volume | 915.6 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.022 |
| Residual factor for significantly intense reflections | 0.0195 |
| Weighted residual factors for significantly intense reflections | 0.0504 |
| Weighted residual factors for all reflections included in the refinement | 0.0508 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176432 (current) | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
4071388.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4071388.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4071388.cif |
| 43176 | 2012-03-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4071383, 4071384, 4071385, 4071386, 4071387, 4071388 via cif-deposit CGI script. |
4071388.cif |
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