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Information card for entry 1514471
Preview
| Coordinates | 1514471.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C56 H70 B4 Cl10 Fe2 N14 O12 |
|---|---|
| Calculated formula | C56 H70 B4 Cl10 Fe2 N14 O12 |
| Title of publication | Clathrochelate-based bipyridyl ligands of nanoscale dimensions: easy-to-access building blocks for supramolecular chemistry |
| Authors of publication | Wise, Matthew D.; Ruggi, Albert; Pascu, Mirela; Scopelliti, Rosario; Severin, Kay |
| Journal of publication | Chemical Science |
| Year of publication | 2013 |
| Journal volume | 4 |
| Journal issue | 4 |
| Pages of publication | 1658 |
| a | 10.235 ± 0.005 Å |
| b | 10.862 ± 0.004 Å |
| c | 16.008 ± 0.006 Å |
| α | 97.163 ± 0.018° |
| β | 98.93 ± 0.02° |
| γ | 93.02 ± 0.02° |
| Cell volume | 1739.6 ± 1.3 Å3 |
| Cell temperature | 140 ± 2 K |
| Ambient diffraction temperature | 140 ± 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 | 0.1076 |
| Residual factor for significantly intense reflections | 0.0728 |
| Weighted residual factors for significantly intense reflections | 0.1814 |
| Weighted residual factors for all reflections included in the refinement | 0.2018 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.111 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301776 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/51 Each referenced PubChem compound corresponds to the full crystal structure. |
1514471.cif |
| 176729 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1514471.cif |
| 110151 | 2014-04-18 | cif/ Adding structures of 1514469, 1514470, 1514471, 1514472 via cif-deposit CGI script. |
1514471.cif |
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Users of the data should acknowledge the original authors of the
structural data.