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Information card for entry 4076242
Preview
| Coordinates | 4076242.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C47 H52 N2 P2 Ru |
|---|---|
| Calculated formula | C47 H52 N2 P2 Ru |
| SMILES | [RuH2]([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)=C2N(C=CN2C(C)(C)C)C(C)(C)C |
| Title of publication | Coordinatively Unsaturated Hydridoruthenium(II) Complexes of N-Heterocyclic Carbenes |
| Authors of publication | Abdur-Rashid, Kamaluddin; Fedorkiw, Terry; Lough, Alan J.; Morris, Robert H. |
| Journal of publication | Organometallics |
| Year of publication | 2004 |
| Journal volume | 23 |
| Journal issue | 1 |
| Pages of publication | 86 |
| a | 9.1155 ± 0.0001 Å |
| b | 10.3552 ± 0.0001 Å |
| c | 12.5275 ± 0.0002 Å |
| α | 106.318 ± 0.001° |
| β | 111.09 ± 0.001° |
| γ | 95.128 ± 0.001° |
| Cell volume | 1034.62 ± 0.03 Å3 |
| Cell temperature | 150 ± 1 K |
| Ambient diffraction temperature | 150 ± 1 K |
| Number of distinct elements | 5 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for all reflections | 0.0242 |
| Residual factor for significantly intense reflections | 0.0238 |
| Weighted residual factors for significantly intense reflections | 0.0571 |
| Weighted residual factors for all reflections included in the refinement | 0.0574 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 209531 (current) | 2018-08-10 | cif/4/ Removing duplicate rows from the ATOM_TYPE loop in entries 4027882, 4063366, 4072663, 4072770, 4072771, 4074460, 4075100, 4076241, 4076242, 4076244, 4077512, 4080938, 4081765, 4082054, 4082696, 4084845, 4101406, 4101407, 4101408, 4107704, 4108487, 4109677. |
4076242.cif |
| 178651 | 2016-03-21 | cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/62. |
4076242.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4076242.cif |
| 51714 | 2012-04-07 | ../uploads/cif-deposit/cod/cif Adding structures of 4076241, 4076242, 4076243, 4076244 via cif-deposit CGI script. |
4076242.cif |
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Users of the data should acknowledge the original authors of the
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