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Information card for entry 4072163
Preview
| Coordinates | 4072163.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | Tetrakis-μ-(pyrrolidinato)-bis(benzonitrile)dirhodium(II,III) tetrafluoroborate |
|---|---|
| Formula | C30.7 H35.4 B Cl1.4 F4 N6 O4 Rh2 |
| Calculated formula | C30.704 H35.408 B Cl1.408 F4 N6 O4 Rh2 |
| 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 | 8.1512 ± 0.0014 Å |
| b | 15.89 ± 0.003 Å |
| c | 13.803 ± 0.002 Å |
| α | 90° |
| β | 97.983 ± 0.003° |
| γ | 90° |
| Cell volume | 1770.5 ± 0.5 Å3 |
| Cell temperature | 220 ± 2 K |
| Ambient diffraction temperature | 220 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0418 |
| Residual factor for significantly intense reflections | 0.0351 |
| Weighted residual factors for significantly intense reflections | 0.0774 |
| Weighted residual factors for all reflections included in the refinement | 0.0798 |
| 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 |
|---|---|---|---|
| 176467 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4072163.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4072163.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4072163.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. |
4072163.cif |
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Users of the data should acknowledge the original authors of the
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