Information card for entry 2108100
| Formula |
C55 H42.47 Cu2.24 N6 O17.88 P4 V1.94 |
| Calculated formula |
C55 H42.4709 Cu2.23545 N6 O17.8806 P4 V1.9448 |
| Title of publication |
A potential Cu/V-organophosphonate platform for tailored void spaces <i>via</i> terpyridine mold casting |
| Authors of publication |
Bulut, Aysun; Wörle, Michael; Zorlu, Yunus; Kirpi, Erdogan; Kurt, Huseyin; Zubieta, Jon; Grabowsky, Simon; Beckmann, Jens; Yücesan, Gündoğ |
| Journal of publication |
Acta Crystallographica Section B |
| Year of publication |
2017 |
| Journal volume |
73 |
| Journal issue |
2 |
| Pages of publication |
296 - 303 |
| a |
13.6173 ± 0.0008 Å |
| b |
14.3205 ± 0.0009 Å |
| c |
15.4896 ± 0.0009 Å |
| α |
77.4902 ± 0.001° |
| β |
71.7418 ± 0.001° |
| γ |
76.5041 ± 0.0011° |
| Cell volume |
2755.4 ± 0.3 Å3 |
| Cell temperature |
100 ± 2 K |
| Ambient diffraction temperature |
100 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 |
0.0543 |
| Residual factor for significantly intense reflections |
0.0467 |
| Weighted residual factors for significantly intense reflections |
0.1147 |
| Weighted residual factors for all reflections included in the refinement |
0.1194 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.069 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
Yes |
| Has Fobs |
Yes |
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