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Information card for entry 2017695
Preview
| Coordinates | 2017695.cif |
|---|---|
| Structure factors | 2017695.hkl |
| Original IUCr paper | HTML |
| Common name | (salen)chromium(V)-(μ-nitrido)-chloro(COD)rhodium(I) |
|---|---|
| Chemical name | chlorido-2κ<i>Cl</i>-[2(η^4^)-1,5-cyclooctadiene]{2,2'-[ethane-1,2- diylbis(nitrilomethylidyne)]diphenolato- 1κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'}-μ-nitrido- 1:2κ^2^<i>N</i>:<i>N</i>-chromium(V)rhodium(I) |
| Formula | C24 H26 Cl Cr N3 O2 Rh |
| Calculated formula | C24 H26 Cl Cr N3 O2 Rh |
| SMILES | [Rh]123(Cl)(N=[Cr]456[N](=Cc7c(O5)cccc7)CC[N]4=Cc4ccccc4O6)[CH]4CC[CH]1=[CH]2CC[CH]3=4 |
| Title of publication | Synthesis and molecular structure of Cr(salen)(μ-N)RhCl(COD): the first example of a heterobimetallic nitride-bridged complex containing chromium |
| Authors of publication | Vibenholt, Johan; Magnussen, Magnus; Anthon, Christian; Bendix, Jesper |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 7 |
| Pages of publication | m177 - m179 |
| a | 12.614 ± 0.0013 Å |
| b | 15.1085 ± 0.0014 Å |
| c | 12.6704 ± 0.0017 Å |
| α | 90° |
| β | 107.259 ± 0.01° |
| γ | 90° |
| Cell volume | 2306 ± 0.5 Å3 |
| Cell temperature | 122 ± 1 K |
| Ambient diffraction temperature | 122 ± 1 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 | 0.0458 |
| Residual factor for significantly intense reflections | 0.0294 |
| Weighted residual factors for significantly intense reflections | 0.0607 |
| Weighted residual factors for all reflections included in the refinement | 0.0667 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.064 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180845 (current) | 2016-04-02 | cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/76. |
2017695.cif 2017695.hkl |
| 176760 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01. |
2017695.cif 2017695.hkl |
| 125873 | 2014-10-25 | cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes. |
2017695.cif 2017695.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. | 2017695.cif 2017695.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2017695.cif 2017695.hkl |
| 1452 | 2010-10-08 | hkl/ Adding Fobs data for the recent IUCr structure deposition. NB. This revision is recomitted anew after it appeared that in the original COD repository revision file '1452' was corrupt. |
2017695.cif 2017695.hkl |
| 1284 | 2010-08-08 | cif/2/ Adding the processed IUCr 2010 June and July CIFs. |
2017695.cif |
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Users of the data should acknowledge the original authors of the
structural data.