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Information card for entry 7127509
Preview
| Coordinates | 7127509.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C120 H144 Co4 N6 O6 Se6 |
|---|---|
| Calculated formula | C120 H144 Co4 N6 O6 Se6 |
| SMILES | [Se]12[Co]34([Se]5[Co]678([Se]3c3ccccc3N8c3c(O6)c(C(C)(C)C)cc(c3)C(C)(C)C)Oc3c(N7c6c5cccc6)cc(C(C)(C)C)cc3C(C)(C)C)([Se]3[Co]561([Se]1[Co]789([Se]5c5c(N8c8c(O7)c(cc(c8)C(C)(C)C)C(C)(C)C)cccc5)Oc5c(N9c7c1cccc7)cc(cc5C(C)(C)C)C(C)(C)C)Oc1c(N6c5c3cccc5)cc(cc1C(C)(C)C)C(C)(C)C)Oc1c(N4c3c2cccc3)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 | 16.0226 ± 0.0004 Å |
| b | 17.1096 ± 0.0004 Å |
| c | 23.7566 ± 0.0006 Å |
| α | 93.645 ± 0.002° |
| β | 98.841 ± 0.002° |
| γ | 94.484 ± 0.002° |
| Cell volume | 6396.6 ± 0.3 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100 ± 0.1 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 | 0.0839 |
| Residual factor for significantly intense reflections | 0.0545 |
| Weighted residual factors for significantly intense reflections | 0.1363 |
| Weighted residual factors for all reflections included in the refinement | 0.1499 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.012 |
| 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 |
|---|---|---|---|
| 298328 (current) | 2025-03-07 | cif/7: Fixing Z values and formulae |
7127509.cif |
| 259667 | 2020-12-09 | cif/ Adding structures of 7127509, 7127510 via cif-deposit CGI script. |
7127509.cif |
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