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Information card for entry 4114765
Preview
Coordinates | 4114765.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C38 H78 F24 Fe13 N5 O21 |
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Calculated formula | C36.72 H60 F24 Fe13 O16 |
Title of publication | Synthesis and Structure of [Fe13O4F24(OMe)12]5-: The First Open-Shell Keggin Ion |
Authors of publication | Avi Bino; Michael Ardon; Dongwhan Lee; Bernhard Spingler; Stephen J. Lippard |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2002 |
Journal volume | 124 |
Pages of publication | 4578 - 4579 |
a | 19.4853 ± 0.0007 Å |
b | 19.4853 ± 0.0007 Å |
c | 19.4853 ± 0.0007 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 7398.1 ± 0.5 Å3 |
Cell temperature | 188 ± 2 K |
Ambient diffraction temperature | 188 ± 2 K |
Number of distinct elements | 6 |
Space group number | 216 |
Hermann-Mauguin space group symbol | F -4 3 m |
Hall space group symbol | F -4 2 3 |
Residual factor for all reflections | 0.0352 |
Residual factor for significantly intense reflections | 0.035 |
Weighted residual factors for significantly intense reflections | 0.1169 |
Weighted residual factors for all reflections included in the refinement | 0.1172 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.168 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
178918 (current) | 2016-03-22 | cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/47. |
4114765.cif |
120077 | 2014-07-12 | Adding DOIs to range 4/11 structures. | 4114765.cif |
68127 | 2012-10-17 | cif/ Adding structures of 4114765 via cif-deposit CGI script. |
4114765.cif |
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Users of the data should acknowledge the original authors of the
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