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Information card for entry 4070526
Preview
| Coordinates | 4070526.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C28 H36 Co F6 O6 P |
|---|---|
| Calculated formula | C28 H36 Co F6 O6 P |
| SMILES | [Co]12345678([c]9%10[cH]1[cH]2[cH]3[cH]4[c]5%10OCCOCCOc1ccccc1OCCOCCO9)[C]1(=[C]6([C]7(=[C]81C)C)C)C.[P](F)(F)(F)(F)(F)[F-] |
| Title of publication | A New Approach to the Photochemically Controlled Crown Ethers: (Tetramethylcyclobutadiene)cobalt Complexes with Benzo-15-Crown-5 and Dibenzo-18-Crown-6† |
| Authors of publication | Perekalin, Dmitry S.; Babak, Maria V.; Novikov, Valentin V.; Petrovskii, Pavel V.; Lyssenko, Konstantin A.; Corsini, Maddalena; Zanello, Piero; Kudinov, Alexander R. |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 15 |
| Pages of publication | 3654 |
| a | 9.746 ± 0.0018 Å |
| b | 12.138 ± 0.002 Å |
| c | 14.577 ± 0.003 Å |
| α | 114.113 ± 0.004° |
| β | 106.166 ± 0.005° |
| γ | 91.635 ± 0.005° |
| Cell volume | 1491.7 ± 0.5 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 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 | 0.1985 |
| Residual factor for significantly intense reflections | 0.0663 |
| Weighted residual factors for significantly intense reflections | 0.096 |
| Weighted residual factors for all reflections included in the refinement | 0.1142 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.822 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178594 (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 4/07/05. |
4070526.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4070526.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4070526.cif |
| 42540 | 2012-03-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4070526 via cif-deposit CGI script. |
4070526.cif |
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Users of the data should acknowledge the original authors of the
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