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Information card for entry 7220053
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| Coordinates | 7220053.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | catena-(hexakis(?2-cyanido)-decacyanido-tris(1,4,8,11-tetraazacyclotetra decane)-tri-nickel-di-tungsten solvate) |
|---|---|
| Formula | C48 H96 N28 Ni3 O10 W2 |
| Calculated formula | C47.9996 H48 N28 Ni3 O10 W2 |
| Title of publication | Larger pores and higher Tc: {[Ni(cyclam)]3[W(CN)8]2·solv}n‒ a new member of the largest family of pseudo-polymorphic isomers among octacyanometallate-based assemblies |
| Authors of publication | Nowicka, Beata; Reczyński, Mateusz; Rams, Michał; Nitek, Wojciech; Kozieł, Marcin; Sieklucka, Barbara |
| Journal of publication | CrystEngComm |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 18 |
| Pages of publication | 3526 |
| a | 32.105 ± 0.005 Å |
| b | 15.068 ± 0.005 Å |
| c | 9.331 ± 0.005 Å |
| α | 90° |
| β | 90.772 ± 0.005° |
| γ | 90° |
| Cell volume | 4514 ± 3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 12 |
| Hermann-Mauguin space group symbol | C 1 2/m 1 |
| Hall space group symbol | -C 2y |
| Residual factor for all reflections | 0.0354 |
| Residual factor for significantly intense reflections | 0.0307 |
| Weighted residual factors for significantly intense reflections | 0.0866 |
| Weighted residual factors for all reflections included in the refinement | 0.0892 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.102 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180531 (current) | 2016-03-26 | cif/7/22/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/22/00. |
7220053.cif |
| 138509 | 2015-06-07 | cif/ Updating files of 7220053 Original log message: Adding full bibliography for 7220053.cif. |
7220053.cif |
| 134687 | 2015-04-04 | cif/ Adding structures of 7220053 via cif-deposit CGI script. |
7220053.cif |
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Users of the data should acknowledge the original authors of the
structural data.