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Information card for entry 1558822
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Coordinates | 1558822.cif |
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Original paper (by DOI) | HTML |
Common name | Fe2(bdp)3(DMF)0.58 |
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Chemical name | Fe2(bdp)3 |
Formula | C39.44 H32.02 Fe2 N13.14 O1.15 |
Calculated formula | C39.432 H32.008 Fe2 N13.144 O1.144 |
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 | 7.0648 ± 0.0004 Å |
b | 26.4382 ± 0.0014 Å |
c | 45.215 ± 0.003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 8445.3 ± 0.9 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 | 0.0857 |
Residual factor for significantly intense reflections | 0.0718 |
Weighted residual factors for significantly intense reflections | 0.2025 |
Weighted residual factors for all reflections included in the refinement | 0.2123 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.141 |
Diffraction radiation wavelength | 0.8856 Å |
Diffraction radiation type | synchrotron |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
Revision | Date | Message | Files |
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255227 (current) | 2020-08-11 | cif/ Adding structures of 1558822, 1558823, 1558824, 1558825, 1558826 via cif-deposit CGI script. |
1558822.cif |
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Users of the data should acknowledge the original authors of the
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