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Information card for entry 7232118
Preview
| Coordinates | 7232118.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 3-Nitrobenzoate-tin-tetraiodoporphrin |
|---|---|
| Formula | C66 H52 I4 N6 O10 Sn |
| Calculated formula | C66 H52 I4 N6 O10 Sn |
| Title of publication | Wheel-and-axle topology-driven halogen bonds: formation of ladder, 1D and 2D networks in hexa-coordinated Sn(iv) porphyrins |
| Authors of publication | Rani, Jyoti; Kaur, Gurkiran; Sushila, Sushila; Diksha, Diksha; Yadav, Rashmi; Kataria, Ramesh; Venugopalan, Paloth; Natarajan, Palani; Chaudhary, Arvind; Patra, Ranjan |
| Journal of publication | CrystEngComm |
| Year of publication | 2019 |
| Journal volume | 21 |
| Journal issue | 7 |
| Pages of publication | 1150 |
| a | 11.2861 ± 0.0004 Å |
| b | 11.7958 ± 0.0003 Å |
| c | 13.3288 ± 0.0003 Å |
| α | 103.991 ± 0.002° |
| β | 95.327 ± 0.002° |
| γ | 111 ± 0.002° |
| Cell volume | 1575.58 ± 0.08 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0461 |
| Residual factor for significantly intense reflections | 0.0363 |
| Weighted residual factors for significantly intense reflections | 0.0797 |
| Weighted residual factors for all reflections included in the refinement | 0.0839 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.093 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 223651 (current) | 2019-11-07 | cif/ Updating files of 7232116, 7232117, 7232118, 7232119, 7232120, 7232121, 7232122, 7232123 Original log message: Adding full bibliography for 7232116--7232123.cif. |
7232118.cif |
| 212931 | 2019-01-11 | cif/ Adding structures of 7232116, 7232117, 7232118, 7232119, 7232120, 7232121, 7232122, 7232123 via cif-deposit CGI script. |
7232118.cif |
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Users of the data should acknowledge the original authors of the
structural data.