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Information card for entry 4071047
Preview
| Coordinates | 4071047.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider; PubChem |
| Formula | C37 H32 N O3 P3 S |
|---|---|
| Calculated formula | C37 H32 N O3 P3 S |
| SMILES | P(=S)(c1ccccc1)(c1ccccc1)CP(c1ccccc1)(c1ccccc1)=NP(=O)(Oc1ccccc1)Oc1ccccc1 |
| Title of publication | (η6-Arene)−Ruthenium(II) Complexes Containing Methanide and Methandiide Anions of Ph2P(S)CH2P(NR)Ph2: Unprecedented Insertion of Isocyanide into a Ruthenium−Carbene Bond |
| Authors of publication | Cadierno, Victorio; Díez, Josefina; García-Álvarez, Joaquín; Gimeno, José |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 8 |
| Pages of publication | 1809 |
| a | 16.1548 ± 0.0001 Å |
| b | 9.2541 ± 0.0001 Å |
| c | 22.0546 ± 0.0002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3297.12 ± 0.05 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0334 |
| Residual factor for significantly intense reflections | 0.0322 |
| Weighted residual factors for significantly intense reflections | 0.0842 |
| Weighted residual factors for all reflections included in the refinement | 0.0852 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301830 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/07/ Each referenced PubChem compound corresponds to the full crystal structure. |
4071047.cif |
| 201982 | 2017-10-13 | cif/ Marking COD entries in range 4 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
4071047.cif |
| 178599 | 2016-03-21 | cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/10. |
4071047.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4071047.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4071047.cif |
| 43011 | 2012-03-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4071047, 4071048, 4071049, 4071050, 4071051 via cif-deposit CGI script. |
4071047.cif |
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