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Information card for entry 4066250
Preview
| Coordinates | 4066250.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C48 H58 Li2 N4 P4 |
|---|---|
| Calculated formula | C48 H58 Li2 N4 P4 |
| SMILES | C(C)(C)[N]12P(c3ccccc3)N(C(C)C)[P](c3ccccc3)(c3ccccc3)[Li]1[N]1(C(C)C)P(c3ccccc3)N(C(C)C)[P](c3ccccc3)(c3ccccc3)[Li]21 |
| Title of publication | Metalation and Transmetalation Studies on Ph2PN(iPr)P(Ph)N(iPr)H for Selective Ethene Trimerization to 1-Hexene⊥ |
| Authors of publication | Peitz, Stephan; Peulecke, Normen; Aluri, Bhaskar R.; Müller, Bernd H.; Spannenberg, Anke; Rosenthal, Uwe; Al-Hazmi, Mohammed H.; Mosa, Fuad M.; Wöhl, Anina; Müller, Wolfgang |
| Journal of publication | Organometallics |
| Year of publication | 2010 |
| Journal volume | 29 |
| Journal issue | 21 |
| Pages of publication | 5263 |
| a | 8.3004 ± 0.0004 Å |
| b | 10.9215 ± 0.0005 Å |
| c | 13.8691 ± 0.0006 Å |
| α | 68.249 ± 0.003° |
| β | 77.522 ± 0.004° |
| γ | 74.391 ± 0.003° |
| Cell volume | 1115.14 ± 0.09 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0417 |
| Residual factor for significantly intense reflections | 0.0311 |
| Weighted residual factors for significantly intense reflections | 0.0791 |
| Weighted residual factors for all reflections included in the refinement | 0.0817 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.988 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301829 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/06/ Each referenced PubChem compound corresponds to the full crystal structure. |
4066250.cif |
| 178554 | 2016-03-21 | cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/62. |
4066250.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4066250.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4066250.cif |
| 33839 | 2012-02-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4066249, 4066250, 4066251, 4066252, 4066253 via cif-deposit CGI script. |
4066250.cif |
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Users of the data should acknowledge the original authors of the
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