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Information card for entry 4320052
Preview
| Coordinates | 4320052.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C12 H10 O6 Sn |
|---|---|
| Calculated formula | C12 H10 O6 Sn |
| SMILES | [Sn]12([O]=C3C(=C(OC=C3)C)O1)[O]=C1C(=C(OC=C1)C)O2 |
| Title of publication | Synthesis and Structural Characterization of Tin(II) and Zinc(II) Derivatives of Cyclic α-Hydroxyketones, Including the Structures of Sn(maltol)2, Sn(tropolone)2, Zn(tropolone)2, and Zn(hinokitiol)2 |
| Authors of publication | Marie C Barret; Mary F Mahon; Kieran C Molloy; Jonathan W Steed; Philip Wright |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2001 |
| Journal volume | 40 |
| Pages of publication | 4384 - 4388 |
| a | 18.908 ± 0.008 Å |
| b | 26.355 ± 0.008 Å |
| c | 4.971 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2477.2 ± 1.6 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 43 |
| Hermann-Mauguin space group symbol | F d d 2 |
| Hall space group symbol | F 2 -2d |
| Residual factor for all reflections | 0.0464 |
| Residual factor for significantly intense reflections | 0.0434 |
| Weighted residual factors for significantly intense reflections | 0.106 |
| Weighted residual factors for all reflections included in the refinement | 0.1084 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.071 |
| Diffraction radiation wavelength | 0.7107 Å |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 288183 (current) | 2023-12-08 | cod/ Corrected misspelt data names in multiple entries using the 'cif_correct_tags' program and a data names replacement file from cod-tools revision 9827. This change affected only the misspelt variants of the '_atom_site_symmetry_multiplicity' data name. |
4320052.cif |
| 179303 | 2016-03-23 | cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/00. |
4320052.cif |
| 120105 | 2014-07-12 | Adding DOIs to range 4/32 structures. | 4320052.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4320052.cif |
| 16897 | 2011-03-29 | ../uploads/cif-deposit/cod/cif Adding structures of 4320052 via cif-deposit CGI script. |
4320052.cif |
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Users of the data should acknowledge the original authors of the
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