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Information card for entry 4311927
Preview
| Coordinates | 4311927.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C45 H52 B2 Cl2 F8 N4 Rh2 |
|---|---|
| Calculated formula | C45 H52 B2 Cl2 F8 N4 Rh2 |
| SMILES | [Rh]1234([n]5ccc(cc5c5[n]1ccc(c5)C)CCc1c(CCc5cc6[n]([Rh]789([n]%10ccc(cc6%10)C)[CH2]=[CH]7CC[CH]8=[CH2]9)cc5)cccc1)[CH2]=[CH]2CC[CH]3=[CH2]4.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].ClCCl |
| Title of publication | New Ligand Systems Incorporating Two and Three 4,4'-Bipyridine Units. Characterization of Bi- and Trimetallic Rhodium and Iridium Complexes |
| Authors of publication | Reto Dorta; Romano Dorta; Linda J. W. Shimon; David Milstein |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2004 |
| Journal volume | 43 |
| Pages of publication | 7180 - 7186 |
| a | 11.213 ± 0.002 Å |
| b | 19.493 ± 0.004 Å |
| c | 20.205 ± 0.004 Å |
| α | 90° |
| β | 90.52 ± 0.03° |
| γ | 90° |
| Cell volume | 4416.1 ± 1.5 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0691 |
| Residual factor for significantly intense reflections | 0.0506 |
| Weighted residual factors for significantly intense reflections | 0.1291 |
| Weighted residual factors for all reflections included in the refinement | 0.1424 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.006 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 288183 (current) | 2023-12-08 | cod/ Corrected misspelt data names in multiple entries using the 'cif_correct_tags' program and a data names replacement file from cod-tools revision 9827. This change affected only the misspelt variants of the '_atom_site_symmetry_multiplicity' data name. |
4311927.cif |
| 179158 | 2016-03-23 | cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/19. |
4311927.cif |
| 120093 | 2014-07-12 | Adding DOIs to range 4/31 structures. | 4311927.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4311927.cif |
| 3429 | 2010-11-15 | ../uploads/cif-deposit/cod/cif Adding structures of 4311927 via cif-deposit CGI script. |
4311927.cif |
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Users of the data should acknowledge the original authors of the
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