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Information card for entry 2226514
Preview
| Coordinates | 2226514.cif |
|---|---|
| Structure factors | 2226514.hkl |
| Original IUCr paper | HTML |
| Chemical name | Azido(benzonitrile-κ<i>N</i>)[hydridotris(pyrazol-1-yl- κ<i>N</i>^2^)borato](triphenylphosphine-κ<i>P</i>)ruthenium(II) |
|---|---|
| Formula | C34 H30 B N10 P Ru |
| Calculated formula | C34 H30 B N10 P Ru |
| SMILES | [BH]12n3ccc[n]3[Ru]([n]3cccn13)([n]1cccn21)([N]#Cc1ccccc1)(N=N#N)[P](c1ccccc1)(c1ccccc1)c1ccccc1 |
| Title of publication | Azido(benzonitrile-κ<i>N</i>)[hydridotris(pyrazol-1-yl-κ<i>N</i>^2^)borato](triphenylphosphine-κ<i>P</i>)ruthenium(II) |
| Authors of publication | Huang, Chiung-Cheng; Chen, Han-Gung; Lo, Yih Hsing; Lai, Wen-Rong; Lin, Chia-Her |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 7 |
| Pages of publication | m864 |
| a | 11.1888 ± 0.0002 Å |
| b | 16.2588 ± 0.0003 Å |
| c | 18.9944 ± 0.0004 Å |
| α | 109.588 ± 0.001° |
| β | 91.93 ± 0.001° |
| γ | 90.823 ± 0.001° |
| Cell volume | 3252.37 ± 0.11 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 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 all reflections | 0.0692 |
| Residual factor for significantly intense reflections | 0.0406 |
| Weighted residual factors for significantly intense reflections | 0.0822 |
| Weighted residual factors for all reflections included in the refinement | 0.0929 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.012 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181186 (current) | 2016-04-03 | hkl/2/22/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22/65. |
2226514.cif 2226514.hkl |
| 176789 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22. |
2226514.cif 2226514.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2226514.cif 2226514.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. | 2226514.cif 2226514.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2226514.cif 2226514.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. |
2226514.cif 2226514.hkl |
| 1284 | 2010-08-08 | cif/2/ Adding the processed IUCr 2010 June and July CIFs. |
2226514.cif |
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Users of the data should acknowledge the original authors of the
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