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Information card for entry 4108743
Preview
| Coordinates | 4108743.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C62 H47 B F25 Fe2 I O4 |
|---|---|
| Calculated formula | C62 H47 B F25 Fe2 I O4 |
| Title of publication | Cationic Terminal Gallylene Complexes by Halide Abstraction: Coordination Chemistry of a Valence Isoelectronic Analogue of CO and N2 |
| Authors of publication | Natalie D. Coombs; Dragoslav Vidovic; Joanna K. Day; Amber L. Thompson; Delphine D. Le Pevelen; Andreas Stasch; William Clegg; Luca Russo; Louise Male; Michael B. Hursthouse; David J. Willock; Simon Aldridge |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2008 |
| Journal volume | 130 |
| Pages of publication | 16111 - 16124 |
| a | 18.6058 ± 0.0002 Å |
| b | 16.364 ± 0.0002 Å |
| c | 21.0354 ± 0.0002 Å |
| α | 90° |
| β | 93.6797 ± 0.0006° |
| γ | 90° |
| Cell volume | 6391.35 ± 0.12 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0853 |
| Residual factor for significantly intense reflections | 0.0641 |
| Weighted residual factors for all reflections | 0.0922 |
| Weighted residual factors for significantly intense reflections | 0.0718 |
| Weighted residual factors for all reflections included in the refinement | 0.0718 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.1249 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301832 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/10/ Each referenced PubChem compound corresponds to the full crystal structure. |
4108743.cif |
| 178833 | 2016-03-21 | cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/87. |
4108743.cif |
| 171422 | 2015-12-10 | cod/ (antanas@echidna.ibt.lt) Removing _chemical_name_systematic tags with the multiline value '.' from multiple entries. |
4108743.cif |
| 120076 | 2014-07-11 | Adding DOIs to range 4/10 structures. | 4108743.cif |
| 57111 | 2012-05-16 | cif/ Adding structures of 4108743 via cif-deposit CGI script. |
4108743.cif |
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Users of the data should acknowledge the original authors of the
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