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Information card for entry 7057837
Preview
Coordinates | 7057837.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C38 H30 F6 Fe N5 O6.5 S2 |
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Calculated formula | C38 H30 F6 Fe N5 O6.5 S2 |
Title of publication | High-spin enforcement in first-row metal complexes of a constrained polyaromatic ligand: synthesis, structure, and properties |
Authors of publication | Chen, Lizhu; Dulaney, Hunter A.; Wilkins, Branford O.; Farmer, Sarah; Zhang, Yanbing; Fronczek, Frank R.; Jurss, Jonah W. |
Journal of publication | New Journal of Chemistry |
Year of publication | 2018 |
Journal volume | 42 |
Journal issue | 23 |
Pages of publication | 18667 |
a | 9.1892 ± 0.0002 Å |
b | 13.9385 ± 0.0003 Å |
c | 15.1654 ± 0.0003 Å |
α | 86.123 ± 0.001° |
β | 84.035 ± 0.001° |
γ | 81.059 ± 0.001° |
Cell volume | 1905.83 ± 0.07 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 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 | 0.0288 |
Residual factor for significantly intense reflections | 0.027 |
Weighted residual factors for significantly intense reflections | 0.073 |
Weighted residual factors for all reflections included in the refinement | 0.0745 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.949 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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The link is: https://www.crystallography.net/7057837.html
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