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Information card for entry 2108100
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| Coordinates | 2108100.cif |
|---|---|
| Structure factors | 2108100.hkl |
| Original IUCr paper | HTML |
| 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 |
| Revision | Date | Message | Files |
|---|---|---|---|
| 199055 (current) | 2017-07-25 | cif/ hkl/ Adding structures of 2108100, 2108101 via cif-deposit CGI script. |
2108100.cif 2108100.hkl |
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Users of the data should acknowledge the original authors of the
structural data.