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Information card for entry 7062878
Preview
| Coordinates | 7062878.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C108 H148 Cl4 K2 Mn3 N10 O24 |
|---|---|
| Calculated formula | C108 H148 Cl4 K2 Mn3 N10 O24 |
| SMILES | [n]12c3c4[n](c5ccccc5[n]5c4c4[n](c6ccccc6[n]6c4c3[n](c3ccccc13)[Mn]136(OC(=CC(C)=[O]1)C)[O]=C(C)C=C(C)O3)[Mn]135([O]=C(C)C=C(O1)C)[O]=C(C)C=C(O3)C)[Mn]132([O]=C(C)C=C(O1)C)OC(=CC(=[O]3)C)C.[K]1234567[N]89CC[O]2CC[O]3CC[N]1(CC[O]5CC[O]4CC8)CC[O]7CC[O]6CC9.[K]12345678[N]9%10CC[O]2CC[O]3CC[N]1(CC[O]5CC[O]4CC9)CC[O]7CC[O]6[CH2]8C%10.Clc1c(Cl)cccc1.Clc1c(Cl)cccc1.CCCCCC |
| Title of publication | Manganese(ii) complexes of hexaazatrinaphthylene and hexaazatrianthracene: synthesis, structure and properties |
| Authors of publication | Mikhailenko, Maxim V.; Ivanov, Vladislav V.; Faraonov, Maxim A.; Kuzmin, Aleksey V.; Khasanov, Salavat S.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Konarev, Dmitri V. |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2023 |
| Journal volume | 47 |
| Journal issue | 48 |
| Pages of publication | 22339 - 22349 |
| a | 16.5169 ± 0.0007 Å |
| b | 30.5496 ± 0.0012 Å |
| c | 24.4406 ± 0.001 Å |
| α | 90° |
| β | 105.726 ± 0.004° |
| γ | 90° |
| Cell volume | 11870.7 ± 0.9 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.2361 |
| Residual factor for significantly intense reflections | 0.0875 |
| Weighted residual factors for significantly intense reflections | 0.182 |
| Weighted residual factors for all reflections included in the refinement | 0.2531 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.994 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 288854 (current) | 2024-01-06 | cif/ Updating files of 7062874, 7062875, 7062876, 7062877, 7062878 Original log message: Adding full bibliography for 7062874--7062878.cif. |
7062878.cif |
| 287600 | 2023-11-15 | cif/ Adding structures of 7062874, 7062875, 7062876, 7062877, 7062878 via cif-deposit CGI script. |
7062878.cif |
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Users of the data should acknowledge the original authors of the
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