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Information card for entry 2242566
Preview
| Coordinates | 2242566.cif |
|---|---|
| Structure factors | 2242566.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | Bis[(<i>E</i>)-4-bromo-2-({[2-(pyridin-2-yl)ethyl]imino}methyl)phenol]nickel(II) bis[(<i>E</i>)-4-bromo-2-({[2-(pyridin-2-yl)ethyl]imino}methyl)phenolato]nickel(II) bis(perchlorate) methanol monosolvate |
|---|---|
| Formula | C57 H54 Br4 Cl2 N8 Ni2 O13 |
| Calculated formula | C57 H54 Br4 Cl2 N8 Ni2 O13 |
| Title of publication | The crystal structure of bis[(<i>E</i>)-4-bromo-2-({[2-(pyridin-2-yl)ethyl]imino}methyl)phenol]nickel(II) bis[(<i>E</i>)-4-bromo-2-({[2-(pyridin-2-yl)ethyl]imino}methyl)phenolato]nickel(II) bis(perchlorate) methanol monosolvate, a structure containing strong inter-species hydrogen bonds |
| Authors of publication | Okeke, Ugochukwu; Otchere, Raymond; Gultneh, Yilma; Butcher, Ray J. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2018 |
| Journal volume | 74 |
| Journal issue | 8 |
| Pages of publication | 1121 - 1125 |
| a | 19.103 ± 0.005 Å |
| b | 17.414 ± 0.004 Å |
| c | 19.053 ± 0.005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 6338 ± 3 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 60 |
| Hermann-Mauguin space group symbol | P b c n |
| Hall space group symbol | -P 2n 2ab |
| Residual factor for all reflections | 0.11 |
| Residual factor for significantly intense reflections | 0.0607 |
| Weighted residual factors for significantly intense reflections | 0.1535 |
| Weighted residual factors for all reflections included in the refinement | 0.1783 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.015 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301807 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/24 Each referenced PubChem compound corresponds to the full crystal structure. |
2242566.cif 2242566.hkl |
| 209163 | 2018-07-20 | cif/ hkl/ Adding structures of 2242566 via cif-deposit CGI script. |
2242566.cif 2242566.hkl |
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