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Information card for entry 4300798
Preview
| Coordinates | 4300798.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C38 H54 N2 O2 P2 Ru |
|---|---|
| Calculated formula | C38 H54 N2 O2 P2 Ru |
| SMILES | [Ru]123([P](Cc4c3c(ccc4)C[P]1(C(C)(C)C)C(C)(C)C)(C(C)(C)C)C(C)(C)C)([O]=C(N2c1ccccc1)Nc1ccccc1)C#[O] |
| Title of publication | Reactions of (PCP)Ru(CO)(NHPh)(PMe3) (PCP = 2,6-(CH2PtBu2)2C6H3) with Substrates That Possess Polar Bonds |
| Authors of publication | Zhang, Jubo; Gunnoe, T. Brent; Petersen, Jeffrey L. |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2005 |
| Journal volume | 44 |
| Journal issue | 8 |
| Pages of publication | 2895 - 2907 |
| a | 13.237 ± 0.0008 Å |
| b | 14.0281 ± 0.0008 Å |
| c | 21.1699 ± 0.0016 Å |
| α | 79.378 ± 0.002° |
| β | 74.244 ± 0.001° |
| γ | 89.938 ± 0.001° |
| Cell volume | 3713.5 ± 0.4 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 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 | 0.1169 |
| Residual factor for significantly intense reflections | 0.0587 |
| Weighted residual factors for significantly intense reflections | 0.1112 |
| Weighted residual factors for all reflections included in the refinement | 0.1318 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.967 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 210166 (current) | 2018-08-26 | cif/4/30/ Updating bibliography in entries 4300273-4300276, 4300796-4300799. Marking entries 4300273-4300276 as duplicates of entries 4300796-4300799. |
4300798.cif |
| 179045 | 2016-03-22 | cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/07. |
4300798.cif |
| 120081 | 2014-07-12 | Adding DOIs to range 4/30 structures. | 4300798.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4300798.cif |
| 1523 | 2010-09-25 | cif/{1,4} Updating unambiguously identified Inorg. Chem. 2005 structures from the recent Web deposition. Corrdinates of the sructures are not changed, only the bibliograpy and crystallographic information has been updated. |
4300798.cif |
| 966 | 2010-01-30 | cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated. |
4300798.cif |
| 19 | 2008-01-26 | Changing all end-of-line codes from DOS style to UNIX style in all COD CIF files, for more convenient processing: In the cod/cif/ directory: ff \*.cif | xargs perl -i -pe 's/\r\n/\n/' |
4300798.cif |
| 14 | 2008-01-14 | Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files. |
4300798.cif |
| 13 | 2008-01-13 | Setting the svn:keywords property to "Author Date Revision URL Id" for all CIF files in the cod/cif directory. |
4300798.cif |
| 1 | 2007-11-30 | Adding all .cif files from the COD, downloaded in a Cod.zip file on 2007.02.07 (and the same Cod.zip is downloadable today, on 2007.11.29) |
4300798.cif |
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Users of the data should acknowledge the original authors of the
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