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Information card for entry 2231866
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| Coordinates | 2231866.cif |
|---|---|
| Structure factors | 2231866.hkl |
| Original IUCr paper | HTML |
| Chemical name | Dibromidooxido[(<i>Z</i>)-<i>N</i>'-(propan-2-ylidene)benzohydrazidato](triphenylphosphane)rhenium(V) |
|---|---|
| Formula | C28 H26 Br2 N2 O2 P Re |
| Calculated formula | C28 H26 Br2 N2 O2 P Re |
| SMILES | [Re]1(Br)(Br)([P](c2ccccc2)(c2ccccc2)c2ccccc2)(OC(=N[N]1=C(C)C)c1ccccc1)=O |
| Title of publication | Dibromidooxido[(<i>Z</i>)-<i>N</i>'-(propan-2-ylidene)benzohydrazidato](triphenylphosphane)rhenium(V) |
| Authors of publication | Yumata, Nonzaliseko; Gerber, Thomas; Betz, Richard |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 10 |
| Pages of publication | m1337 |
| a | 19.113 ± 0.0005 Å |
| b | 18.391 ± 0.0004 Å |
| c | 15.814 ± 0.0004 Å |
| α | 90° |
| β | 97.41 ± 0.001° |
| γ | 90° |
| Cell volume | 5512.3 ± 0.2 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0437 |
| Residual factor for significantly intense reflections | 0.0283 |
| Weighted residual factors for significantly intense reflections | 0.059 |
| Weighted residual factors for all reflections included in the refinement | 0.0655 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.108 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181240 (current) | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/18. |
2231866.cif 2231866.hkl |
| 176432 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
2231866.cif 2231866.hkl |
| 171761 | 2015-12-30 | cod/ (antanas@echidna.ibt.lt) Removing _chemical_name_common tags with whitespace values from multiple entries in range 2. |
2231866.cif 2231866.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2231866.cif 2231866.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2231866.cif 2231866.hkl |
| 29951 | 2011-11-08 | hkl/ Adding the most recent Fobs data from the IUCr journals. |
2231866.cif 2231866.hkl |
| 29094 | 2011-11-02 | ../uploads/cif-deposit/cod/cif Adding structures of 2231866 via cif-deposit CGI script. |
2231866.cif |
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Users of the data should acknowledge the original authors of the
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