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Information card for entry 4345939
Preview
| Coordinates | 4345939.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C56 H68 Cl4 Co2 N16 O12 |
|---|---|
| Calculated formula | C56 H68 Cl4 Co2 N16 O12 |
| SMILES | [Co]1234[Cl][Co]56([n]7c(cc(C)n7C(c7cccc(C(n8c(cc(C)[n]18)C)n1c(cc(C)[n]21)C)c7)n1c(cc(C)[n]51)C)C)[n]1c(cc(C)n1C(c1cccc(C(n2c(cc(C)[n]32)C)n2c(cc(C)[n]42)C)c1)n1c(cc(C)[n]61)C)C.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-] |
| Title of publication | Dinuclear Metallacycles with Single M-X-M Bridges (X = Cl(-), Br(-); M = Fe(II), Co(II), Ni(II), Cu(II), Zn(II), Cd(II)): Strong Antiferromagnetic Superexchange Interactions. |
| Authors of publication | Reger, Daniel L.; Pascui, Andrea E.; Foley, Elizabeth A.; Smith, Mark D.; Jezierska, Julia; Wojciechowska, Agnieszka; Stoian, Sebastian A.; Ozarowski, Andrew |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2017 |
| a | 12.5738 ± 0.0006 Å |
| b | 13.7181 ± 0.0006 Å |
| c | 19.0076 ± 0.0009 Å |
| α | 92.539 ± 0.001° |
| β | 99.042 ± 0.001° |
| γ | 105.562 ± 0.001° |
| Cell volume | 3106.2 ± 0.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0452 |
| Residual factor for significantly intense reflections | 0.0368 |
| Weighted residual factors for significantly intense reflections | 0.0937 |
| Weighted residual factors for all reflections included in the refinement | 0.0994 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 198952 (current) | 2017-07-25 | cif/ Adding structures of 4345936, 4345937, 4345938, 4345939, 4345940, 4345941, 4345942, 4345943, 4345944, 4345945, 4345946, 4345947, 4345948, 4345949, 4345950, 4345951, 4345952, 4345953, 4345954, 4345955, 4345956, 4345957, 4345958 via cif-deposit CGI script. |
4345939.cif |
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Users of the data should acknowledge the original authors of the
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