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Information card for entry 7127510
Preview
| Coordinates | 7127510.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C126 H150 Co4 N6 O6 Se6 |
|---|---|
| Calculated formula | C126 H150 Co4 N6 O6 Se6 |
| SMILES | [Se]12[Co]345([Se]([Co]6781Oc1c(C(C)(C)C)cc(cc1C=[N]8c1c([Se]7[Co]789([N](=Cc%10c(O9)c(C(C)(C)C)cc(c%10)C(C)(C)C)c9c([Se]67)cccc9)[Se]6[Co]79%10([Se]8c8c([N]%10=Cc%10cc(cc(c%10O7)C(C)(C)C)C(C)(C)C)cccc8)Oc7c(C=[N]9c8c6cccc8)cc(cc7C(C)(C)C)C(C)(C)C)cccc1)C(C)(C)C)c1c([N]5=Cc5c(O3)c(cc(c5)C(C)(C)C)C(C)(C)C)cccc1)Oc1c(C=[N]4c3c2cccc3)cc(cc1C(C)(C)C)C(C)(C)C |
| Title of publication | The range of antiferromagnetic coupling governs the conductivity: semiconducting behavior and ammonia gas sensing property of diamagnetic hexaradical-containing tetranuclear Co<sup>III</sup><sub>4</sub> cluster and its nonradical congener. |
| Authors of publication | Sarkar, Prasenjit; Konch, Tukhar Jyoti; Kamilya, Tapas; Raidongia, Kalyan; Acharya, Somobrata; Mukherjee, Chandan |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2020 |
| Journal volume | 56 |
| Journal issue | 96 |
| Pages of publication | 15220 - 15223 |
| a | 17.1932 ± 0.0006 Å |
| b | 19.1994 ± 0.0006 Å |
| c | 21.9119 ± 0.0007 Å |
| α | 98.522 ± 0.002° |
| β | 101.989 ± 0.003° |
| γ | 110.296 ± 0.003° |
| Cell volume | 6442 ± 0.4 Å3 |
| Cell temperature | 104 ± 6 K |
| Ambient diffraction temperature | 104 ± 6 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 | 0.0811 |
| Residual factor for significantly intense reflections | 0.0547 |
| Weighted residual factors for significantly intense reflections | 0.1349 |
| Weighted residual factors for all reflections included in the refinement | 0.1472 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.074 |
| 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 |
|---|---|---|---|
| 259667 (current) | 2020-12-09 | cif/ Adding structures of 7127509, 7127510 via cif-deposit CGI script. |
7127510.cif |
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Users of the data should acknowledge the original authors of the
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