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Information card for entry 1517940
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| Coordinates | 1517940.cif |
|---|
| Formula | C56 H48 Cl3 N6 P3 Re2 |
|---|---|
| Calculated formula | C55 Cl3 N7 P3 Re2 |
| SMILES | [Re]123([Re]4(Cl)([N]1=P(c1ccccc1)(c1c3cccc1)c1ccccc1)([N]2=P(c1ccccc41)(c1ccccc1)c1ccccc1)#N)(Cl)#N.P(=[NH2+])(c1ccccc1)(c1ccccc1)c1ccccc1.N#CC.[Cl-] |
| Title of publication | Synthesis and crystal structure of [ReNCl(NPPh2C6H4)]2.[Ph3PNH2]Cl.CH3CN, a rhenium organic nitrido phosphoraneiminato complex |
| Authors of publication | Nubhar, Dirk; Weller, Frank; Dehnicke, Kurt |
| Journal of publication | Zeitschrift fuer Anorganische und Allgemeine Chemie |
| Year of publication | 1993 |
| Journal volume | 619 |
| Pages of publication | 1121 - 1126 |
| a | 10.055 ± 0.005 Å |
| b | 16.952 ± 0.006 Å |
| c | 17.447 ± 0.006 Å |
| α | 105.86 ± 0.03° |
| β | 101.49 ± 0.03° |
| γ | 104.45 ± 0.03° |
| Cell volume | 2654 ± 2 Å3 |
| Ambient diffraction temperature | 292 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for significantly intense reflections | 0.043 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176435 (current) | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2. |
1517940.cif |
| 124935 | 2014-10-06 | cif/ Adding structures of 1517940 via cif-deposit CGI script. |
1517940.cif |
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Users of the data should acknowledge the original authors of the
structural data.