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Information card for entry 4070865
Preview
| Coordinates | 4070865.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | (S)-[eta5-{2-(((C5Me4)methoxy)methyl)-1-methylpyrrolidinium}Ru(C6H6)][PF6]2 |
|---|---|
| Formula | C22 H33 F12 N O P2 Ru |
| Calculated formula | C22 H33 F12 N O P2 Ru |
| SMILES | [Ru]123456789([c]%10([c]3(C)[c]7([c]1([c]2%10COC[C@H]1[NH+](CCC1)C)C)C)C)[cH]1[cH]6[cH]4[cH]5[cH]8[cH]91.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-] |
| Title of publication | [(η5-C5Me4CH2R)Ru(η6-arene)]+and [(η5-C5Me4CH2R)Ru(CH3CN)3]+Compounds Possessing Pendant Arms |
| Authors of publication | Fairchild, Robert M.; Holman, K. Travis |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 8 |
| Pages of publication | 1823 |
| a | 7.134 ± 0.0006 Å |
| b | 12.2235 ± 0.001 Å |
| c | 15.9461 ± 0.0012 Å |
| α | 90° |
| β | 94.372 ± 0.001° |
| γ | 90° |
| Cell volume | 1386.49 ± 0.19 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0411 |
| Residual factor for significantly intense reflections | 0.0337 |
| Weighted residual factors for significantly intense reflections | 0.0756 |
| Weighted residual factors for all reflections included in the refinement | 0.0784 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178597 (current) | 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 4/07/08. |
4070865.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4070865.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4070865.cif |
| 42799 | 2012-03-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4070865 via cif-deposit CGI script. |
4070865.cif |
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