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Information card for entry 7207276
Preview
| Coordinates | 7207276.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C58 H97 Fe N5 O8 |
|---|---|
| Calculated formula | C58 H97 Fe N5 O8 |
| Title of publication | Into the second dimension with ferrocene bis-amidinium salts |
| Authors of publication | Stokes, Francesca A.; Coles, Martyn P.; Hitchcock, Peter B. |
| Journal of publication | CrystEngComm |
| Year of publication | 2012 |
| Journal volume | 14 |
| Journal issue | 3 |
| Pages of publication | 771 |
| a | 16.2731 ± 0.0002 Å |
| b | 17.5849 ± 0.0003 Å |
| c | 21.4064 ± 0.0002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 6125.67 ± 0.14 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 60 |
| Hermann-Mauguin space group symbol | P c a n |
| Hall space group symbol | -P 2n 2c |
| Residual factor for all reflections | 0.0899 |
| Residual factor for significantly intense reflections | 0.0703 |
| Weighted residual factors for significantly intense reflections | 0.1582 |
| Weighted residual factors for all reflections included in the refinement | 0.1713 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301863 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/20/ Each referenced PubChem compound corresponds to the full crystal structure. |
7207276.cif |
| 180403 | 2016-03-26 | cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/72. |
7207276.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7207276.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7207276.cif |
| 32529 | 2012-02-09 | ../uploads/cif-deposit/cod/cif Adding structures of 7207275, 7207276 via cif-deposit CGI script. |
7207276.cif |
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Users of the data should acknowledge the original authors of the
structural data.