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Information card for entry 4318852
Preview
| Coordinates | 4318852.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C32 H60 F12 N6 O24 P4 Ru2 S4 Se2 |
|---|---|
| Calculated formula | C32 H60 F12 N6 O24 P4 Ru2 S4 Se2 |
| SMILES | C1C(=C)C[Se]([Ru]([N]#CC)([N]#CC)([N]#CC)([P](OC)(OC)OC)[P](OC)(OC)OC)[Se]1[Ru]([N]#CC)([N]#CC)([N]#CC)([P](OC)(OC)OC)[P](OC)(OC)OC.C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-] |
| Title of publication | Elimination of HX (X = Cl, Br) from Haloalkenes on the Ru2Q2 (Q = S, Se) Core Complex |
| Authors of publication | Shiho Hatemata; Hiroyasu Sugiyama; Saori Sasaki; Kazuko Matsumoto |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2002 |
| Journal volume | 41 |
| Pages of publication | 6006 - 6012 |
| a | 12.21 ± 0.004 Å |
| b | 14.448 ± 0.005 Å |
| c | 18.758 ± 0.006 Å |
| α | 80.704 ± 0.007° |
| β | 89.852 ± 0.006° |
| γ | 85.828 ± 0.006° |
| Cell volume | 3256.8 ± 1.9 Å3 |
| Cell temperature | 124 ± 2 K |
| Ambient diffraction temperature | 124 ± 2 K |
| Number of distinct elements | 9 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1786 |
| Residual factor for significantly intense reflections | 0.113 |
| Weighted residual factors for significantly intense reflections | 0.2893 |
| Weighted residual factors for all reflections included in the refinement | 0.3337 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.979 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179268 (current) | 2016-03-23 | cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/88. |
4318852.cif |
| 120093 | 2014-07-12 | Adding DOIs to range 4/31 structures. | 4318852.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4318852.cif |
| 15579 | 2011-03-16 | ../uploads/cif-deposit/cod/cif Adding structures of 4318852 via cif-deposit CGI script. |
4318852.cif |
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Users of the data should acknowledge the original authors of the
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