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Information card for entry 4116964
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Coordinates | 4116964.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | 95089 |
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Formula | C24 H27 Cl2 Fe N4 O10 |
Calculated formula | C24 H27 Cl2 Fe N4 O10 |
Title of publication | Models for Nonheme Iron Intermediates: Structural Basis for Tuning the Spin States of Fe(TPA) Complexes |
Authors of publication | Yan Zang; Jinheung Kim; Yanhong Dong; Elizabeth C. Wilkinson; Evan H. Appelman; Lawrence Que |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 1997 |
Journal volume | 119 |
Pages of publication | 4197 - 4205 |
a | 8.7905 ± 0.0001 Å |
b | 9.0849 ± 0.0003 Å |
c | 35.158 ± 0.0009 Å |
α | 90° |
β | 96.5 ± 0.001° |
γ | 90° |
Cell volume | 2789.7 ± 0.12 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 6 |
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 | 0.1254 |
Residual factor for significantly intense reflections | 0.0939 |
Weighted residual factors for all reflections | 0.2137 |
Weighted residual factors for significantly intense reflections | 0.1957 |
Goodness-of-fit parameter for all reflections | 1.177 |
Goodness-of-fit parameter for significantly intense reflections | 1.275 |
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/4116964.html
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