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Information card for entry 2242848
Preview
| Coordinates | 2242848.cif |
|---|---|
| Structure factors | 2242848.hkl |
| Original IUCr paper | HTML |
| Chemical name | (5,7,7,12,12,14-Hexamethyl-1,4,8,11-tetraazacyclotetradecane)nickel(II) bis(perchlorate) hemihydrate |
|---|---|
| Formula | C32 H74 Cl4 N8 Ni2 O17 |
| Calculated formula | C32 H74 Cl4 N8 Ni2 O17 |
| Title of publication | Crystal structures of two nickel(II) macrocyclic salts: (5,7,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane)nickel(II) bis(perchlorate) monohydrate and (5,7,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane)nickel(II) dibromide trihydrate |
| Authors of publication | Corfield, Peter W. R.; Goedken, Virgil L. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2019 |
| Journal volume | 75 |
| Journal issue | 3 |
| Pages of publication | 332 - 337 |
| a | 8.906 ± 0.004 Å |
| b | 29.412 ± 0.011 Å |
| c | 19.505 ± 0.009 Å |
| α | 90° |
| β | 107.03 ± 0.019° |
| γ | 90° |
| Cell volume | 4885 ± 4 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0737 |
| Residual factor for significantly intense reflections | 0.04341 |
| Weighted residual factors for significantly intense reflections | 0.0992 |
| Weighted residual factors for all reflections included in the refinement | 0.1092 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 213582 (current) | 2019-02-09 | cif/ hkl/ Adding structures of 2242848, 2242849 via cif-deposit CGI script. |
2242848.cif 2242848.hkl |
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Users of the data should acknowledge the original authors of the
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