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Information card for entry 7240786
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| Coordinates | 7240786.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | m-fluorobenzoate-tin-porphrin |
|---|---|
| Formula | C54 H32 F2 N8 O4 Sn |
| Calculated formula | C54 H32 F2 N8 O4 Sn |
| Title of publication | Nature of Fluorine Interactions in ‘Wheel and Axle’ Topology Based Hexa-Coordinated Sn(IV)-Porphyrins: An Experimental and Theoretical Analysis |
| Authors of publication | Rani, Jyoti; Arora, Ashim; Ahmed, J. Irshad; Adhikari, Debashis; Natarajan, Palani; Venugopalan, P.; Patra, Ranjan |
| Journal of publication | CrystEngComm |
| Year of publication | 2020 |
| a | 10.303 ± 0.0003 Å |
| b | 19.0612 ± 0.0005 Å |
| c | 11.2798 ± 0.0003 Å |
| α | 90° |
| β | 98.019 ± 0.002° |
| γ | 90° |
| Cell volume | 2193.55 ± 0.1 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0473 |
| Residual factor for significantly intense reflections | 0.0353 |
| Weighted residual factors for significantly intense reflections | 0.0999 |
| Weighted residual factors for all reflections included in the refinement | 0.1058 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 253505 (current) | 2020-06-27 | cif/ Adding structures of 7240786, 7240787, 7240788 via cif-deposit CGI script. |
7240786.cif |
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Users of the data should acknowledge the original authors of the
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