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Information card for entry 8102329
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| Coordinates | 8102329.cif |
|---|---|
| External links | PubChem |
| Formula | C20 H28 Co2 O8 S |
|---|---|
| Calculated formula | C20 H28 Co2 O8 S |
| Title of publication | Crystal structure of bis(cobaltocenium) sulfate tetrahydrate, [(C5H5)2Co]2(SO4) · 4H2O |
| Authors of publication | Alexander Schwärzler; Klaus Wurst; Gerhard Laus; Günther Bonn; Herwig Schottenberger |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2008 |
| Journal volume | 223 |
| Journal issue | 4 |
| Pages of publication | 421 |
| a | 13.7544 ± 0.0003 Å |
| b | 15.1793 ± 0.0004 Å |
| c | 21.6466 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4519.42 ± 0.18 Å3 |
| Cell temperature | 233 ± 2 K |
| Ambient diffraction temperature | 233 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0461 |
| Residual factor for significantly intense reflections | 0.0364 |
| Weighted residual factors for significantly intense reflections | 0.0775 |
| Weighted residual factors for all reflections included in the refinement | 0.0808 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301880 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 8/ Each referenced PubChem compound corresponds to the full crystal structure. |
8102329.cif |
| 211175 | 2018-09-26 | cif/ Removing _chemical_name_systematic and _chemical_name_common data items with placeholder values from 513 entries in range 8. |
8102329.cif |
| 176728 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8. |
8102329.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8102329.cif |
| 13068 | 2011-03-06 | ../uploads/cif-deposit/cod/cif Adding structures of 8102329 via cif-deposit CGI script. |
8102329.cif |
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Users of the data should acknowledge the original authors of the
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