Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2018338
Preview
| Coordinates | 2018338.cif |
|---|---|
| Structure factors | 2018338.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>cyclo</i>-tetra-μ~2~-hydroxido-dodeca-μ~2~-isobutyrato- κ^24^<i>O</i>:<i>O</i>'-octa-μ~2~-phenolato-octairon(III) phenol hexasolvate monohydrate |
|---|---|
| Formula | C132 H166 Fe8 O43 |
| Calculated formula | C132 H164 Fe8 O43 |
| Title of publication | An octanuclear iron(III) isobutyrate wheel |
| Authors of publication | Baca, Svetlana G.; Breukers, Stefanie; Ellern, Arkady; Kögerler, Paul |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 12 |
| Pages of publication | m371 - m374 |
| a | 13.2648 ± 0.0007 Å |
| b | 16.6182 ± 0.0009 Å |
| c | 17.679 ± 0.001 Å |
| α | 90.557 ± 0.001° |
| β | 110.485 ± 0.001° |
| γ | 108.261 ± 0.001° |
| Cell volume | 3435.5 ± 0.3 Å3 |
| Cell temperature | 153 ± 2 K |
| Ambient diffraction temperature | 153 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0578 |
| Residual factor for significantly intense reflections | 0.0432 |
| Weighted residual factors for significantly intense reflections | 0.0994 |
| Weighted residual factors for all reflections included in the refinement | 0.1083 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.14 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180852 (current) | 2016-04-02 | cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/83. |
2018338.cif 2018338.hkl |
| 176760 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01. |
2018338.cif 2018338.hkl |
| 125873 | 2014-10-25 | cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes. |
2018338.cif 2018338.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2018338.cif 2018338.hkl |
| 31968 | 2012-01-03 | hkl/ Adding automatically assigned IUCr Fobs data for the rest of the year 2001 structures. |
2018338.cif 2018338.hkl |
| 31921 | 2012-01-02 | ../uploads/cif-deposit/cod/cif Adding structures of 2018338 via cif-deposit CGI script. |
2018338.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.