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Information card for entry 2231636
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| Coordinates | 2231636.cif |
|---|---|
| Structure factors | 2231636.hkl |
| Original IUCr paper | HTML |
| Chemical name | (<i>μ</i>-Formato-<i>κ</i>^2^<i>O</i>:<i>O</i>')bis[dicarbonyl(<i>η</i>^5^- cyclopentadienyl)iron(II)] tetrafluoridoborate |
|---|---|
| Formula | C15 H11 B F4 Fe2 O6 |
| Calculated formula | C15 H11 B F4 Fe2 O6 |
| SMILES | [cH]12[cH]3[cH]4[cH]5[cH]1[Fe]2345(C#[O])(C#[O])[O]=CO[Fe]1234([cH]5[cH]4[cH]3[cH]2[cH]15)(C#[O])C#[O].[B](F)(F)(F)[F-] |
| Title of publication | (<i>{μ</i>}-Formato-<i>{κ</i>}^2^<i>O</i>:<i>O</i>')bis[dicarbonyl(<i>{η</i>}^5^-cyclopentadienyl)iron(II)] tetrafluoridoborate |
| Authors of publication | M'thiruaine, Cyprian M.; Friedrich, Holger B.; Changamu, Evans O.; Omondi, Bernard |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 9 |
| Pages of publication | m1252 |
| a | 7.4964 ± 0.0005 Å |
| b | 17.8845 ± 0.0014 Å |
| c | 14.1931 ± 0.0009 Å |
| α | 90° |
| β | 115.144 ± 0.003° |
| γ | 90° |
| Cell volume | 1722.6 ± 0.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0343 |
| Residual factor for significantly intense reflections | 0.0277 |
| Weighted residual factors for significantly intense reflections | 0.0648 |
| Weighted residual factors for all reflections included in the refinement | 0.0686 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.019 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181238 (current) | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/16. |
2231636.cif 2231636.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2231636.cif 2231636.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2231636.cif 2231636.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. | 2231636.cif 2231636.hkl |
| 27934 | 2011-10-07 | hkl/ Ading Fonst files assigned to the recently deposited IUCr coordinates. |
2231636.cif 2231636.hkl |
| 27766 | 2011-10-07 | ../uploads/cif-deposit/cod/cif Adding structures of 2231636 via cif-deposit CGI script. |
2231636.cif |
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Users of the data should acknowledge the original authors of the
structural data.