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Information card for entry 4071722
Preview
| Coordinates | 4071722.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C30 H35 Fe P |
|---|---|
| Calculated formula | C30 H35 Fe P |
| SMILES | [Fe]12345678([cH]9[cH]4[cH]3[cH]2[cH]19)[c]1([cH]8[cH]7[cH]6[cH]51)C(C)P(c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C |
| Title of publication | Heterolytic Cleavage of Dihydrogen by Frustrated Lewis Pairs Derived from α-(Dimesitylphosphino)ferrocenes and B(C6F5)3† |
| Authors of publication | Huber, Dominique P.; Kehr, Gerald; Bergander, Klaus; Fröhlich, Roland; Erker, Gerhard; Tanino, Soichiro; Ohki, Yasuhiro; Tatsumi, Kazuyuki |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 20 |
| Pages of publication | 5279 |
| a | 7.4493 ± 0.0002 Å |
| b | 12.5125 ± 0.0003 Å |
| c | 14.4119 ± 0.0004 Å |
| α | 71.541 ± 0.002° |
| β | 85.738 ± 0.001° |
| γ | 77.417 ± 0.001° |
| Cell volume | 1243.59 ± 0.06 Å3 |
| Cell temperature | 223 ± 2 K |
| Ambient diffraction temperature | 223 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1245 |
| Residual factor for significantly intense reflections | 0.0591 |
| Weighted residual factors for significantly intense reflections | 0.123 |
| Weighted residual factors for all reflections included in the refinement | 0.1488 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.001 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178606 (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 4/07/17. |
4071722.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4071722.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4071722.cif |
| 43998 | 2012-03-15 | ../uploads/cif-deposit/cod/cif Adding structures of 4071722 via cif-deposit CGI script. |
4071722.cif |
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Users of the data should acknowledge the original authors of the
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