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Information card for entry 8105992
Preview
| Coordinates | 8105992.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H45 Cl N4 Ni O7 |
|---|---|
| Calculated formula | C24 H45 Cl N4 Ni O7 |
| Title of publication | Crystal structure of (4-methyl-benzoato-κ2O,O′)-(5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane-κ4N,N′,N′′,N′′′)nickel(II) perchlorate monohydrate, C24H45ClN4NiO7 |
| Authors of publication | Chen, Xiao-Ming |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2019 |
| Journal volume | 234 |
| Journal issue | 6 |
| Pages of publication | 1237 - 1239 |
| a | 10.4947 ± 0.0011 Å |
| b | 14.3956 ± 0.0013 Å |
| c | 19.7182 ± 0.0018 Å |
| α | 90° |
| β | 93.212 ± 0.006° |
| γ | 90° |
| Cell volume | 2974.3 ± 0.5 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0563 |
| Residual factor for significantly intense reflections | 0.0426 |
| Weighted residual factors for significantly intense reflections | 0.1221 |
| Weighted residual factors for all reflections included in the refinement | 0.1389 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.065 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 279070 (current) | 2022-11-08 | cif/ Adding structures of 8105992 via cif-deposit CGI script. |
8105992.cif |
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