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Information card for entry 1513710
Preview
| Coordinates | 1513710.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | holkc14 |
|---|---|
| Formula | C82 H116 Fe2 K2 N4 O2 |
| Calculated formula | C82 H116 Fe2 K2 N4 O2 |
| Title of publication | Multimetallic Cooperativity in Activation of Dinitrogen at Iron-Potassium Sites. |
| Authors of publication | Chiang, Karen P.; Bellows, Sarina M.; Brennessel, William W.; Holland, Patrick L. |
| Journal of publication | Chemical science (Royal Society of Chemistry : 2010) |
| Year of publication | 2014 |
| Journal volume | 5 |
| Journal issue | 1 |
| Pages of publication | 267 |
| a | 37.332 ± 0.002 Å |
| b | 9.7164 ± 0.0006 Å |
| c | 23.2858 ± 0.0013 Å |
| α | 90° |
| β | 111.588 ± 0.001° |
| γ | 90° |
| Cell volume | 7854 ± 0.8 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100 ± 0.1 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.1183 |
| Residual factor for significantly intense reflections | 0.0594 |
| Weighted residual factors for significantly intense reflections | 0.1234 |
| Weighted residual factors for all reflections included in the refinement | 0.1457 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
| 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. |
1513710.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. |
1513710.cif |
| 105113 | 2014-03-11 | cif/ Adding structures of 1513709, 1513710, 1513711 via cif-deposit CGI script. |
1513710.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.