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Information card for entry 2310163
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| Coordinates | 2310163.cif |
|---|---|
| Structure factors | 2310163.hkl |
| Original IUCr paper | HTML |
| Formula | C4 H16 Ca O12 |
|---|---|
| Calculated formula | C4 H16 Ca O12 |
| SMILES | C(=O)([C@H](O)[C@H](C(=O)[O-])O)[O-].[Ca+2].O.O.O.O.O.O |
| Title of publication | Calcium tartrate esahydrate, CaC4H4O6·6H2O: a structural and spectroscopic study. |
| Authors of publication | Ventruti, Gennaro; Scordari, Fernando; Bellatreccia, Fabio; Della Ventura, Giancarlo; Sodo, Armida |
| Journal of publication | Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 1 |
| Pages of publication | 68 - 73 |
| a | 7.739 ± 0.0001 Å |
| b | 12.803 ± 0.0002 Å |
| c | 5.829 ± 0.0001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 577.551 ± 0.015 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 18 |
| Hermann-Mauguin space group symbol | P 21 21 2 |
| Hall space group symbol | P 2 2ab |
| Residual factor for all reflections | 0.0228 |
| Residual factor for significantly intense reflections | 0.0214 |
| Weighted residual factors for significantly intense reflections | 0.0709 |
| Weighted residual factors for all reflections included in the refinement | 0.0748 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.68 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201406 (current) | 2017-09-28 | cif/2/31/01/ Updating bibliography in entries 2310154-2310163. |
2310163.cif 2310163.hkl |
| 181921 | 2016-04-06 | hkl/2/31/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/31/01 |
2310163.cif 2310163.hkl |
| 181327 | 2016-04-03 | hkl/2/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/31. |
2310163.cif 2310163.hkl |
| 176809 | 2016-02-21 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 2. |
2310163.cif 2310163.hkl |
| 130886 | 2015-02-04 | cif/ hkl/ Adding structures of 2310163 via cif-deposit CGI script. |
2310163.cif 2310163.hkl |
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