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Information card for entry 4314380
Preview
Coordinates | 4314380.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C83 H79 Cl2 F3 Fe2 N4 O9 S |
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Calculated formula | C83 H79 Cl2 F3 Fe2 N4 O9 S |
Title of publication | Modeling Features of the Non-Heme Diiron Cores in O2-Activating Enzymes through the Synthesis, Characterization, and Oxidation of 1,8-Naphthyridine-Based Complexes |
Authors of publication | Jane Kuzelka; Sumitra Mukhopadhyay; Bernhard Spingler; Stephen J. Lippard |
Journal of publication | Inorganic Chemistry |
Year of publication | 2003 |
Journal volume | 42 |
Pages of publication | 6447 - 6457 |
a | 20.15 ± 0.003 Å |
b | 20.181 ± 0.003 Å |
c | 19.832 ± 0.003 Å |
α | 90° |
β | 114.242 ± 0.002° |
γ | 90° |
Cell volume | 7353.5 ± 1.9 Å3 |
Cell temperature | 193 ± 2 K |
Ambient diffraction temperature | 193 ± 2 K |
Number of distinct elements | 8 |
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 | 0.0784 |
Residual factor for significantly intense reflections | 0.0632 |
Weighted residual factors for significantly intense reflections | 0.1644 |
Weighted residual factors for all reflections included in the refinement | 0.1712 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.172 |
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/4314380.html
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