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Information card for entry 7226258
Preview
| Coordinates | 7226258.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H16 Cl N3 O2 |
|---|---|
| Calculated formula | C24 H16 Cl N3 O2 |
| SMILES | c1c2c3c(cn1)ccc1c3c(cc2)c[n+](c1)Cc1ccnc2c1cccc2.[Cl-].O.O |
| Title of publication | Guest-induced stereoselective self-assembly of quinoline-containing Pd(II) and Pt(II) metallacycles |
| Authors of publication | Blanco, Víctor; Abella, Dolores; Rama, Tamara; Alvariño, Cristina; García, Marcos D.; Peinador, Carlos; Quintela, José María |
| Journal of publication | RSC Adv. |
| Year of publication | 2016 |
| a | 14.075 ± 0.002 Å |
| b | 7.9884 ± 0.0011 Å |
| c | 17.57 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1975.5 ± 0.5 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 29 |
| Hermann-Mauguin space group symbol | P c a 21 |
| Hall space group symbol | P 2c -2ac |
| Residual factor for all reflections | 0.1968 |
| Residual factor for significantly intense reflections | 0.0676 |
| Weighted residual factors for significantly intense reflections | 0.1519 |
| Weighted residual factors for all reflections included in the refinement | 0.2065 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.975 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 185825 (current) | 2016-08-16 | cif/ Adding structures of 7226258, 7226259, 7226260, 7226261, 7226262 via cif-deposit CGI script. |
7226258.cif |
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Users of the data should acknowledge the original authors of the
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