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Information card for entry 2236503
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| Coordinates | 2236503.cif |
|---|---|
| Structure factors | 2236503.hkl |
| Original IUCr paper | HTML |
| Chemical name | Octacarbonyldi-μ~2~-hydrido-[μ~3~-(1,3,5- trimethylphenyl)phosphinidene](triphenylphosphane)-<i>triangulo</i>- triruthenium |
|---|---|
| Formula | C35 H28 O8 P2 Ru3 |
| Calculated formula | C35 H28 O8 P2 Ru3 |
| SMILES | [Ru]1234([Ru]5([H]1)([Ru]2([H]3)([P]45c1c(cc(cc1C)C)C)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O])([P](c1ccccc1)(c1ccccc1)c1ccccc1)(C#[O])C#[O] |
| Title of publication | Octacarbonyldi-μ~2~-hydrido-[μ~3~-(1,3,5-trimethylphenyl)phosphinidene](triphenylphosphane)-<i>triangulo</i>-triruthenium |
| Authors of publication | Kakizawa, Taeko |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 10 |
| Pages of publication | m1293 |
| a | 11.5954 ± 0.0005 Å |
| b | 12.087 ± 0.0007 Å |
| c | 13.4304 ± 0.0001 Å |
| α | 100.224 ± 0.002° |
| β | 94.6231 ± 0.0017° |
| γ | 95.0167 ± 0.0013° |
| Cell volume | 1836.44 ± 0.13 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0356 |
| Residual factor for significantly intense reflections | 0.0302 |
| Weighted residual factors for significantly intense reflections | 0.0922 |
| Weighted residual factors for all reflections included in the refinement | 0.118 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.228 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181287 (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 2/23/65. |
2236503.cif 2236503.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2236503.cif 2236503.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2236503.cif 2236503.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. | 2236503.cif 2236503.hkl |
| 74188 | 2013-02-22 | hkl/ Adding the rest of the Fobs data for the structures publishe din the IUCr journals in 2012 and in January of 2013. |
2236503.cif 2236503.hkl |
| 70079 | 2012-12-21 | cif/ Adding structures of 2236503 via cif-deposit CGI script. |
2236503.cif |
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Users of the data should acknowledge the original authors of the
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