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Information card for entry 4073475
Preview
| Coordinates | 4073475.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C29 H54 Cl N4 O P2 Rh |
|---|---|
| Calculated formula | C29 H54 Cl N4 O P2 Rh |
| Title of publication | Experimental and Computational Study of the Transformation of Terminal Alkynes to Vinylidene Ligands ontrans-(Chloro)bis(phosphine)Rh Fragments and Effects of Phosphine Substituents |
| Authors of publication | Grotjahn, Douglas B.; Zeng, Xi; Cooksy, Andrew L.; Kassel, W. Scott; DiPasquale, Antonio G.; Zakharov, Lev. N.; Rheingold, Arnold L. |
| Journal of publication | Organometallics |
| Year of publication | 2007 |
| Journal volume | 26 |
| Journal issue | 14 |
| Pages of publication | 3385 |
| a | 7.9 ± 0.0004 Å |
| b | 24.4193 ± 0.0012 Å |
| c | 8.9974 ± 0.0004 Å |
| α | 90° |
| β | 96.793 ± 0.001° |
| γ | 90° |
| Cell volume | 1723.53 ± 0.14 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0388 |
| Residual factor for significantly intense reflections | 0.0362 |
| Weighted residual factors for significantly intense reflections | 0.0872 |
| Weighted residual factors for all reflections included in the refinement | 0.0884 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.137 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178623 (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 4/07/34. |
4073475.cif |
| 171451 | 2015-12-11 | cif/ (antanas@echidna.ibt.lt) Removing surrounding semicolons (';') from the _chemical_name_systematic tag values in entries 4510662, 4073475. |
4073475.cif |
| 132090 | 2015-02-20 | cif/ (antanas@koala.ibt.lt) Replacing '_chemical_name_systematic' tag values '; ? ;' with a single '?'. |
4073475.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4073475.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4073475.cif |
| 46362 | 2012-03-21 | ../uploads/cif-deposit/cod/cif Adding structures of 4073475 via cif-deposit CGI script. |
4073475.cif |
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Users of the data should acknowledge the original authors of the
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