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Information card for entry 2013574
Preview
Coordinates | 2013574.cif |
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Original IUCr paper | HTML |
Chemical name | di-μ-trifluoroacetato-μ~3~-oxo-bis[(2,2'-bipyridine- κ^2^N,N')(trifluoroacetato-κO)iron(III)] |
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Formula | C28 H16 F12 Fe2 N4 O9 |
Calculated formula | C28 H16 F12 Fe2 N4 O9 |
Title of publication | Two new soluble iron‒oxo complexes: [Fe~2~(μ-O)(μ-O~2~CCF~3~)~2~(O~2~CCF~3~)~2~(C~10~H~8~N~2~)~2~] and [Fe~4~(μ~3~-O)~2~(μ-O~2~CCF~3~)~6~(O~2~CCF~3~)~2~(C~10~H~8~N~2~)~2~]·CF~3~CO~2~H |
Authors of publication | Bacsa, John; Zhao, Hanhua; Kim R. Dunbar |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 2003 |
Journal volume | 59 |
Journal issue | 12 |
Pages of publication | m561 - m564 |
a | 10.3902 ± 0.0016 Å |
b | 16.751 ± 0.003 Å |
c | 18.96 ± 0.003 Å |
α | 90° |
β | 98.046 ± 0.004° |
γ | 90° |
Cell volume | 3267.4 ± 0.9 Å3 |
Cell temperature | 110 ± 2 K |
Ambient diffraction temperature | 110 ± 2 K |
Number of distinct elements | 6 |
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 | 0.0651 |
Residual factor for significantly intense reflections | 0.0431 |
Weighted residual factors for significantly intense reflections | 0.1069 |
Weighted residual factors for all reflections included in the refinement | 0.1179 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2013574.html
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