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Information card for entry 4306052
Preview
| Coordinates | 4306052.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | fac-tricarbonyl-(2,2'bipyridine)-(5-(4'pyridyl)- -10-15-20-triphenylporphyrine)-rhenium(I) triflate dichloromethane solvate |
|---|---|
| Formula | C60 H43 Cl6 F3 N7 O6 Re S |
| Calculated formula | C60 H43 Cl6 F3 N7 O6 Re S |
| SMILES | [Re]1(C#[O])(C#[O])(C#[O])([n]2ccccc2c2[n]1cccc2)[n]1ccc(C2=c3[nH]c(=C(C4=NC(=C(c5[nH]c(cc5)C(=C5N=C2C=C5)c2ccccc2)c2ccccc2)C=C4)c2ccccc2)cc3)cc1.S(=O)(=O)([O-])C(F)(F)F.C(Cl)Cl.C(Cl)Cl.C(Cl)Cl |
| Title of publication | Structural and Photophysical Characterization of Multichromophoric Pyridylporphyrin-Rhenium(I) Conjugates |
| Authors of publication | Massimo Casanova; Ennio Zangrando; Elisabetta Iengo; Enzo Alessio; Maria Teresa Indelli; Franco Scandola; Michele Orlandi |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2008 |
| Journal volume | 47 |
| Pages of publication | 10407 - 10418 |
| a | 10.566 ± 0.003 Å |
| b | 12.476 ± 0.003 Å |
| c | 24.17 ± 0.005 Å |
| α | 102.09 ± 0.03° |
| β | 91.37 ± 0.03° |
| γ | 100.27 ± 0.02° |
| Cell volume | 3059.3 ± 1.4 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1429 |
| Residual factor for significantly intense reflections | 0.1263 |
| Weighted residual factors for significantly intense reflections | 0.3154 |
| Weighted residual factors for all reflections included in the refinement | 0.3238 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.134 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179098 (current) | 2016-03-23 | cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/60. |
4306052.cif |
| 120081 | 2014-07-12 | Adding DOIs to range 4/30 structures. | 4306052.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4306052.cif |
| 1167 | 2010-05-13 | cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19. |
4306052.cif |
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