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Information card for entry 1558825
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Coordinates | 1558825.cif |
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Original paper (by DOI) | HTML |
Common name | Na2Fe2(bdp)3 |
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Chemical name | Na2Fe2(bdp)3 |
Formula | C36 H24 Fe2 N12 Na2.04 |
Calculated formula | C36 H24 Fe2 N12 Na2.06 |
Title of publication | Crystallographic Characterization of the Metal‒Organic Framework Fe2(bdp)3 upon Reductive Cation Insertion |
Authors of publication | Biggins, Naomi; Ziebel, Michael E.; Gonzalez, Miguel; Long, Jeffrey R. |
Journal of publication | Chemical Science |
Year of publication | 2020 |
a | 7.0835 ± 0.0003 Å |
b | 26.4668 ± 0.0012 Å |
c | 45.398 ± 0.002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 8511.1 ± 0.6 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 70 |
Hermann-Mauguin space group symbol | F d d d :2 |
Hall space group symbol | -F 2uv 2vw |
Residual factor for all reflections | 0.0713 |
Residual factor for significantly intense reflections | 0.0568 |
Weighted residual factors for significantly intense reflections | 0.1618 |
Weighted residual factors for all reflections included in the refinement | 0.1747 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.08 |
Diffraction radiation wavelength | 0.7288 Å |
Diffraction radiation type | synchrotron |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
255227 (current) | 2020-08-11 | cif/ Adding structures of 1558822, 1558823, 1558824, 1558825, 1558826 via cif-deposit CGI script. |
1558825.cif |
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Users of the data should acknowledge the original authors of the
structural data.