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Information card for entry 4073200
Preview
| Coordinates | 4073200.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C28.5 H29 Cl Cr N O3 Rh |
|---|---|
| Calculated formula | C28.5 H29 Cl Cr N O3 Rh |
| SMILES | [Rh]12345(Cl)([n]6cccc(c6[c]67[c]81[Cr]19%106([cH]8[cH]1[cH]9[cH]7%10)(C#[O])(C#[O])C#[O])C)[c]1([c]2([c]3([c]4([c]51C)C)C)C)C.Cc1ccccc1 |
| Title of publication | Stereoselective “Electrophilic” Cyclometalation of Planar-Prochiral (η6-Arene)tricarbonylchromium Complexes with Asymmetric Metal Centers: pseudo-T-4 [Cp*RhCl2]2and [Cp*IrCl2]2 |
| Authors of publication | Scheeren, Carla; Maasarani, Fida; Hijazi, Akram; Djukic, Jean-Pierre; Pfeffer, Michel; Zarić, Snežana D.; Le Goff, Xavier-Frédéric; Ricard, Louis |
| Journal of publication | Organometallics |
| Year of publication | 2007 |
| Journal volume | 26 |
| Journal issue | 14 |
| Pages of publication | 3336 |
| a | 12.834 ± 0.001 Å |
| b | 14.251 ± 0.001 Å |
| c | 15.433 ± 0.001 Å |
| α | 73.61 ± 0.001° |
| β | 77.837 ± 0.001° |
| γ | 85.641 ± 0.001° |
| Cell volume | 2646.8 ± 0.3 Å3 |
| Cell temperature | 150 ± 0.1 K |
| Ambient diffraction temperature | 150 ± 0.1 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0503 |
| Residual factor for significantly intense reflections | 0.0381 |
| Weighted residual factors for significantly intense reflections | 0.104 |
| Weighted residual factors for all reflections included in the refinement | 0.1105 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.075 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| 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. |
4073200.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4073200.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4073200.cif |
| 46219 | 2012-03-21 | ../uploads/cif-deposit/cod/cif Adding structures of 4073200, 4073201 via cif-deposit CGI script. |
4073200.cif |
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