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Information card for entry 4072162
Preview
| Coordinates | 4072162.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | Tetrakis-μ-(caprolactamate)-bis(acetonitrile)dirhodium(II) bisacetonitrile |
|---|---|
| Formula | C32 H52 N8 O4 Rh2 |
| Calculated formula | C32 H52 N8 O4 Rh2 |
| SMILES | [Rh]1234([Rh]([N]#CC)(OC5=[N]1CCCCC5)([N]1=C(CCCCC1)O2)(OC1=[N]3CCCCC1)[N]1=C(CCCCC1)O4)[N]#CC.N#CC.N#CC |
| Title of publication | Removal of Metal−Metal Bonding in a Dimetallic Paddlewheel Complex: Molecular and Electronic Structure of Bis(phenyl) Dirhodium(III) Carboxamidate Compounds |
| Authors of publication | Wolf, Joffrey; Poli, Rinaldo; Xie, Jian-Hua; Nichols, Jason; Xi, Bin; Zavalij, Peter; Doyle, Michael P. |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 22 |
| Pages of publication | 5836 |
| a | 9.371 ± 0.0008 Å |
| b | 15.8919 ± 0.0013 Å |
| c | 23.994 ± 0.002 Å |
| α | 90° |
| β | 97.408 ± 0.002° |
| γ | 90° |
| Cell volume | 3543.4 ± 0.5 Å3 |
| Cell temperature | 223 ± 2 K |
| Ambient diffraction temperature | 223 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0594 |
| Residual factor for significantly intense reflections | 0.0429 |
| Weighted residual factors for significantly intense reflections | 0.0875 |
| Weighted residual factors for all reflections included in the refinement | 0.0923 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178610 (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 4/07/21. |
4072162.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4072162.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4072162.cif |
| 44268 | 2012-03-15 | ../uploads/cif-deposit/cod/cif Adding structures of 4072160, 4072161, 4072162, 4072163, 4072164, 4072165, 4072166, 4072167 via cif-deposit CGI script. |
4072162.cif |
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