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Information card for entry 2241044
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| Coordinates | 2241044.cif |
|---|---|
| Structure factors | 2241044.hkl |
| Original IUCr paper | HTML |
| Chemical name | Hexaaquanickel(II) bis(5,6-dihydroxy-3-sulfoquinolin-7-yloxyacetic acid) dihydrate |
|---|---|
| Formula | C22 H32 N2 Ni O24 S2 |
| Calculated formula | C22 H32 N2 Ni O24 S2 |
| Title of publication | Crystal structure of hexaaquanickel(II) bis{2-[(5,6-dihydroxy-3-sulfonatoquinolin-1-ium-7-yl)oxy]acetate} dihydrate |
| Authors of publication | Le Thi Hong, Hai; Nguyen Thi Ngoc, Vinh; Tran Thi, Da; Nguyen Bich, Ngan; Van Meervelt, Luc |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 9 |
| Pages of publication | 1105 - 1108 |
| a | 8.1632 ± 0.0005 Å |
| b | 8.2829 ± 0.0006 Å |
| c | 11.8492 ± 0.0008 Å |
| α | 102.316 ± 0.006° |
| β | 102.25 ± 0.006° |
| γ | 93.003 ± 0.006° |
| Cell volume | 760.91 ± 0.09 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 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 | 0.0618 |
| Residual factor for significantly intense reflections | 0.0474 |
| Weighted residual factors for significantly intense reflections | 0.114 |
| Weighted residual factors for all reflections included in the refinement | 0.1254 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.087 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181911 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/10. |
2241044.cif 2241044.hkl |
| 153694 | 2015-08-27 | cif/ hkl/ Adding structures of 2241044 via cif-deposit CGI script. |
2241044.cif 2241044.hkl |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.