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Information card for entry 4308632
Preview
| Coordinates | 4308632.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | sodium 4-fluorophenoxide THF solvate |
|---|---|
| Formula | C68 H88 F6 Na6 O14 |
| Calculated formula | C68 H88 F6 Na6 O14 |
| SMILES | c1(ccc(cc1)F)[O]12[Na]3([O]4(c5ccc(cc5)F)[Na]1([O]15(c6ccc(cc6)F)[Na]64([O]4CCCC4)[O]4(c7ccc(cc7)F)[Na]1([O]1(c7ccc(cc7)F)[Na]4([O]36(c3ccc(cc3)F)[Na]251[O]1CCCC1)[O]1CCCC1)([O]1CCCC1)[O]1CCCC1)[O]1CCCC1)([O]1CCCC1)[O]1CCCC1 |
| Title of publication | Rational Assembly of Primitive Cubic Networks Using Hexameric Stacks of Sodium Aryloxides as Nodes |
| Authors of publication | Dugald J. MacDougall; Bruce C. Noll; Kenneth W. Henderson |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2005 |
| Journal volume | 44 |
| Pages of publication | 1181 - 1183 |
| a | 11.9721 ± 0.0003 Å |
| b | 13.3007 ± 0.0003 Å |
| c | 13.9938 ± 0.0003 Å |
| α | 65.713 ± 0.001° |
| β | 67.411 ± 0.001° |
| γ | 64.905 ± 0.001° |
| Cell volume | 1779.06 ± 0.07 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0557 |
| Residual factor for significantly intense reflections | 0.0409 |
| Weighted residual factors for significantly intense reflections | 0.1051 |
| Weighted residual factors for all reflections included in the refinement | 0.1153 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301836 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/30/ Each referenced PubChem compound corresponds to the full crystal structure. |
4308632.cif |
| 179124 | 2016-03-23 | cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/86. |
4308632.cif |
| 120081 | 2014-07-12 | Adding DOIs to range 4/30 structures. | 4308632.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4308632.cif |
| 1526 | 2010-09-26 | cif/4/ Adding new CIFs from Inorg. Chem. 2005 deposited via Web deposition site to the COD test database (and transferede to the main COD database after renaming). |
4308632.cif |
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Users of the data should acknowledge the original authors of the
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