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Information card for entry 7011791
Preview
| Coordinates | 7011791.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | hexakis(dimethylsulfoxide)nickel(II) bromide |
|---|---|
| Formula | C16 H48 Br2 Ni O8 S8 |
| Calculated formula | C16 H48 Br2 Ni O8 S8 |
| SMILES | [Br-].CS(C)=[O][Ni]([O]=S(C)C)([O]=S(C)C)([O]=S(C)C)([O]=S(C)C)[O]=S(C)C.O=S(C)C.[Br-].CS(C)=O |
| Title of publication | Reactivity of five- and six-coordinated solvates. A complex formation and crystallographic study of the nickel(II) bromide and iodide systems in dimethyl sulfoxide and N,N'-dimethylpropyleneurea |
| Authors of publication | Bobicz, Dorota; Kristiansson, Olof; Persson, Ingmar |
| Journal of publication | Journal of the Chemical Society, Dalton Transactions |
| Year of publication | 2002 |
| Journal issue | 22 |
| Pages of publication | 4201 - 4205 |
| a | 9.9 ± 0.005 Å |
| b | 10.38 ± 0.006 Å |
| c | 11.295 ± 0.006 Å |
| α | 63.608 ± 0.012° |
| β | 67.713 ± 0.008° |
| γ | 87.889 ± 0.009° |
| Cell volume | 949.8 ± 0.9 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 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 | 0.1676 |
| Residual factor for significantly intense reflections | 0.11 |
| Weighted residual factors for significantly intense reflections | 0.2355 |
| Weighted residual factors for all reflections included in the refinement | 0.2433 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.44 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 275119 (current) | 2022-05-06 | cif/7/01/17/ Updated bibliographic information in entries 7011790-7011793. |
7011791.cif |
| 213973 | 2019-03-05 | cod/ Removed potentially copyrighted or irrelevant data items from 1289 entries. |
7011791.cif |
| 179821 | 2016-03-25 | cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/17. |
7011791.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7011791.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7011791.cif |
| 3896 | 2010-12-08 | cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/. |
7011791.cif |
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