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Information card for entry 1542320
Preview
Coordinates | 1542320.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C85 H121.5 Fe2 N3.5 O6 |
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Calculated formula | C85 H121.5 Fe2 N3.5 O6 |
Title of publication | Bimetallic iron‒iron and iron‒zinc complexes of the redox-active ONO pincer ligand |
Authors of publication | Wong, Janice L.; Higgins, Robert F.; Bhowmick, Indrani; Cao, David Xi; Szigethy, Géza; Ziller, Joseph W.; Shores, Matthew P.; Heyduk, Alan F. |
Journal of publication | Chem. Sci. |
Year of publication | 2016 |
Journal volume | 7 |
Journal issue | 2 |
Pages of publication | 1594 |
a | 15.518 ± 0.001 Å |
b | 20.0893 ± 0.0013 Å |
c | 26.9179 ± 0.0018 Å |
α | 90° |
β | 104.175 ± 0.0009° |
γ | 90° |
Cell volume | 8136 ± 0.9 Å3 |
Cell temperature | 88 ± 2 K |
Ambient diffraction temperature | 88 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0625 |
Residual factor for significantly intense reflections | 0.0412 |
Weighted residual factors for significantly intense reflections | 0.0951 |
Weighted residual factors for all reflections included in the refinement | 0.1059 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.013 |
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/1542320.html
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