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Information card for entry 4073347
Preview
| Coordinates | 4073347.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C67 H64 F12 O P6 Ru2 |
|---|---|
| Calculated formula | C67 H64 F12 O P6 Ru2 |
| SMILES | [Ru]12345([P](c6ccccc6)(c6ccccc6)CC[P]1(c1ccccc1)c1ccccc1)(C#C[Ru]16789([P](c%10ccccc%10)(c%10ccccc%10)CC[P]1(c1ccccc1)c1ccccc1)[cH]1[cH]9[cH]8[cH]7[cH]61)[cH]1[cH]5[cH]4[cH]3[cH]21.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].CC(=O)C |
| Title of publication | Redox-Active Complexes Containing Group 8 Metal Centers Linked by C2Bridges |
| Authors of publication | Bruce, Michael I.; Costuas, Karine; Ellis, Ben G.; Halet, Jean-François; Low, Paul J.; Moubaraki, Boujemaa; Murray, Keith S.; Ouddaï, Nadia; Perkins, Gary J.; Skelton, Brian W.; White, Allan H. |
| Journal of publication | Organometallics |
| Year of publication | 2007 |
| Journal volume | 26 |
| Journal issue | 15 |
| Pages of publication | 3735 |
| a | 11.538 ± 0.005 Å |
| b | 14.004 ± 0.006 Å |
| c | 21.671 ± 0.009 Å |
| α | 101.154 ± 0.007° |
| β | 91.028 ± 0.007° |
| γ | 112.459 ± 0.007° |
| Cell volume | 3159 ± 2 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 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 | 0.1108 |
| Residual factor for significantly intense reflections | 0.0714 |
| Weighted residual factors for all reflections | 0.112 |
| Weighted residual factors for significantly intense reflections | 0.1822 |
| Weighted residual factors for all reflections included in the refinement | 0.2229 |
| Goodness-of-fit parameter for all reflections | 1.1 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.066 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176432 (current) | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
4073347.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4073347.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4073347.cif |
| 46298 | 2012-03-21 | ../uploads/cif-deposit/cod/cif Adding structures of 4073346, 4073347, 4073348, 4073349, 4073350 via cif-deposit CGI script. |
4073347.cif |
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Users of the data should acknowledge the original authors of the
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