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Information card for entry 1545669
Preview
| Coordinates | 1545669.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C33 H21 F6 N4 Ni P |
|---|---|
| Calculated formula | C33 H21 F6 N4 Ni P |
| SMILES | c12cccc3C(=c4ccc5=Cc6ccc7=C(c8cccc1[n]8[Ni](n45)([n]23)[n]67)c1ccccc1)c1ccccc1.[P](F)(F)(F)(F)(F)[F-] |
| Title of publication | Syntheses of Bipyricorroles and Their Meso‒Meso Coupled Dimers |
| Authors of publication | Adinarayana, B.; Thomas, Ajesh P.; Satha, Pardhasaradhi; Srinivasan, A. |
| Journal of publication | Organic Letters |
| Year of publication | 2017 |
| a | 21.052 ± 0.006 Å |
| b | 9.434 ± 0.003 Å |
| c | 29.833 ± 0.009 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 5925 ± 3 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 6 |
| Space group number | 54 |
| Hermann-Mauguin space group symbol | P c c a |
| Hall space group symbol | -P 2a 2ac |
| Residual factor for all reflections | 0.1365 |
| Residual factor for significantly intense reflections | 0.1038 |
| Weighted residual factors for significantly intense reflections | 0.2696 |
| Weighted residual factors for all reflections included in the refinement | 0.2927 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 194672 (current) | 2017-04-04 | cif/ Adding structures of 1545669, 1545670, 1545671, 1545672 via cif-deposit CGI script. |
1545669.cif |
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