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Information card for entry 7206658
Preview
| Coordinates | 7206658.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C42 H30 Br2 N4 Ni O4 S2 |
|---|---|
| Calculated formula | C42 H30 Br2 N4 Ni O4 S2 |
| Title of publication | Synthesis, X-ray crystal structures and inclusion properties of a hydrogen-bonded coordination polymer [Ni(SCN)2(pppeH)2]·(guest)x |
| Authors of publication | Sekiya, Ryo; Nishikiori, Shin-ichi |
| Journal of publication | CrystEngComm |
| Year of publication | 2011 |
| Journal volume | 13 |
| Journal issue | 21 |
| Pages of publication | 6405 |
| a | 10.268 ± 0.002 Å |
| b | 11.0835 ± 0.0007 Å |
| c | 28.807 ± 0.004 Å |
| α | 87.171 ± 0.012° |
| β | 35.532 ± 0.007° |
| γ | 84.06 ± 0.01° |
| Cell volume | 1891.6 ± 0.6 Å3 |
| Cell temperature | 153 ± 2 K |
| Ambient diffraction temperature | 153 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0783 |
| Residual factor for significantly intense reflections | 0.0437 |
| Weighted residual factors for significantly intense reflections | 0.1048 |
| Weighted residual factors for all reflections included in the refinement | 0.124 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180397 (current) | 2016-03-26 | cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/66. |
7206658.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7206658.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7206658.cif |
| 29973 | 2011-11-09 | ../uploads/cif-deposit/cod/cif Adding structures of 7206656, 7206657, 7206658, 7206659 via cif-deposit CGI script. |
7206658.cif |
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Users of the data should acknowledge the original authors of the
structural data.