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Information card for entry 4105142
Preview
Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 4105142.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C23.04 H36.83 Fe7 Na5 O50.92 |
---|---|
Calculated formula | C22 H14 Fe7 Na2 O45.5 |
SMILES | [Fe]12345[O]6[Fe]789%10[O]%11[Fe]%12%13%14([O]%15[Fe]%16%17([O]%18[Fe]%19%20%15(OC(=O)[C@@H]([O]%10%19)[C@@H]%10[O]7[Fe]7%15([O]1[Fe]1(OC=O)([O]=CO5)([O]9[C@H](C(=O)O1)[C@H]%11C(=O)O%14)[O]=CO7)([O]2[C@@H](C(=[O]%16)O3)[C@@H]%18C(=[O]%15)O%20)OC%10=O)[O]=CO%12)([O]8[C@@H]([C@H]6C(=O)O4)C(=O)O%17)OC=[O]%13)OC=O.[Na+].[Na+].O.O.O.O.O.O.O.O |
Title of publication | Protein-Sized Chiral Fe168 Cages with NbO-Type Topology |
Authors of publication | Zhi-Ming Zhang; Shuang Yao; Yang-Guang Li; Rodolphe Clérac; Ying Lu; Zhong-Min Su; En-Bo Wang |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2009 |
Journal volume | 131 |
Pages of publication | 14600 - 14601 |
a | 57.1261 ± 0.0017 Å |
b | 57.1261 ± 0.0017 Å |
c | 57.1261 ± 0.0017 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 186425 ± 10 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 5 |
Space group number | 209 |
Hermann-Mauguin space group symbol | F 4 3 2 |
Hall space group symbol | F 4 2 3 |
Residual factor for all reflections | 0.1018 |
Residual factor for significantly intense reflections | 0.0596 |
Weighted residual factors for significantly intense reflections | 0.157 |
Weighted residual factors for all reflections included in the refinement | 0.2018 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.084 |
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/4105142.html
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Users of the data should acknowledge the original authors of the
structural data.