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Information card for entry 4070525
Preview
| Coordinates | 4070525.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C39 H54 Co2 F12 O7 P2 |
|---|---|
| Calculated formula | C39 H54 Co2 F12 O7 P2 |
| SMILES | [P](F)(F)(F)(F)(F)[F-].O1[c]23[cH]4[Co]56789%102([cH]4[cH]5[cH]6[c]37OCCOCCO[c]23[cH]4[Co]567%11%12%132([cH]4[cH]5[cH]6[c]37OCCOCC1)[C]1(=[C]%11([C]%12(=[C]%131C)C)C)C)[C]1(=[C]%10([C]9(=[C]81C)C)C)C.C(=O)(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 | 12.584 ± 0.006 Å |
| b | 14.088 ± 0.007 Å |
| c | 15.533 ± 0.007 Å |
| α | 114.865 ± 0.016° |
| β | 93.39 ± 0.02° |
| γ | 114.21 ± 0.02° |
| Cell volume | 2187.7 ± 1.9 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 | 0.1256 |
| Residual factor for significantly intense reflections | 0.0466 |
| Weighted residual factors for significantly intense reflections | 0.0669 |
| Weighted residual factors for all reflections included in the refinement | 0.0795 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.728 |
| 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. |
4070525.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4070525.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4070525.cif |
| 42539 | 2012-03-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4070525 via cif-deposit CGI script. |
4070525.cif |
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Users of the data should acknowledge the original authors of the
structural data.