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Information card for entry 7020714
Preview
| Coordinates | 7020714.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C51.5 H47 N4 O4 P2 Rh |
|---|---|
| Calculated formula | C51.5 H47 N4 O4 P2 Rh |
| Title of publication | Rh-catalyzed linear hydroformylation of styrene. |
| Authors of publication | Boymans, Evert; Janssen, Michèle; Müller, Christian; Lutz, Martin; Vogt, Dieter |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2013 |
| Journal volume | 42 |
| Journal issue | 1 |
| Pages of publication | 137 - 142 |
| a | 36.3887 ± 0.0006 Å |
| b | 15.4752 ± 0.0002 Å |
| c | 16.0031 ± 0.0002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 9011.7 ± 0.2 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 29 |
| Hermann-Mauguin space group symbol | P c a 21 |
| Hall space group symbol | P 2c -2ac |
| Residual factor for all reflections | 0.0367 |
| Residual factor for significantly intense reflections | 0.0278 |
| Weighted residual factors for significantly intense reflections | 0.0601 |
| Weighted residual factors for all reflections included in the refinement | 0.0638 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301848 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/02/ Each referenced PubChem compound corresponds to the full crystal structure. |
7020714.cif |
| 176453 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7. |
7020714.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7020714.cif |
| 73647 | 2013-02-20 | cif/ Adding structures of 7020714, 7020715 via cif-deposit CGI script. |
7020714.cif |
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Users of the data should acknowledge the original authors of the
structural data.