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Information card for entry 4325857
Preview
| Coordinates | 4325857.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H22 N3 O Rh |
|---|---|
| Calculated formula | C20 H22 N3 O Rh |
| SMILES | [Rh]1234([n]5ccccc5C(=O)N1Cc1ncccc1)[CH]1=[CH]2CC[CH]3=[CH]4CC1 |
| Title of publication | Cooperative Double Deprotonation of Bis(2-picolyl)amine Leading to Unexpected Bimetallic Mixed Valence (M-I, MI) Rhodium and Iridium Complexes |
| Authors of publication | Cristina Tejel; M. Pilar del Río; Laura Asensio; Fieke J. van den Bruele; Miguel A. Ciriano; Nearchos Tsichlis i Spithas; Dennis G. H. Hetterscheid; Bas de Bruin |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2011 |
| Journal volume | 50 |
| Pages of publication | 7524 - 7534 |
| a | 18.075 ± 0.005 Å |
| b | 10.159 ± 0.005 Å |
| c | 18.792 ± 0.005 Å |
| α | 90 ± 0.005° |
| β | 100.921 ± 0.005° |
| γ | 90 ± 0.005° |
| Cell volume | 3388 ± 2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0488 |
| Residual factor for significantly intense reflections | 0.0375 |
| Weighted residual factors for significantly intense reflections | 0.0783 |
| Weighted residual factors for all reflections included in the refinement | 0.088 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.104 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179361 (current) | 2016-03-23 | cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/58. |
4325857.cif |
| 103932 | 2014-03-08 | cif/4 Fixing Z values and formulae for several entries |
4325857.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4325857.cif |
| 46893 | 2012-03-21 | ../uploads/cif-deposit/cod/cif Adding structures of 4325857 via cif-deposit CGI script. |
4325857.cif |
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Users of the data should acknowledge the original authors of the
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