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Information card for entry 2019526
Preview
| Coordinates | 2019526.cif |
|---|---|
| Structure factors | 2019526.hkl |
| Original IUCr paper | HTML |
| Chemical name | Poly[[diaquadi-μ-chlorido-μ-(1,4,7,10,13,16-hexaoxacyclooctadecane)-dicaesium(I)] dihydrate] |
|---|---|
| Formula | C12 H32 Cl2 Cs2 O10 |
| Calculated formula | C12 H32 Cl2 Cs2 O10 |
| SMILES | C1COCCOCCOCCOCCOCCO1.[Cl-].[Cs+].O.O.[Cl-].[Cs+].O.O |
| Title of publication | Two crown-ether-coordinated caesium halogen salts |
| Authors of publication | van Well, Natalija; Klein, Christian; Ritter, Franz; Assmus, Wolf; Krellner, Cornelius; Bolte, Michael |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 5 |
| Pages of publication | 455 - 459 |
| a | 14.2567 ± 0.0006 Å |
| b | 10.4542 ± 0.0004 Å |
| c | 16.0386 ± 0.0005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2390.43 ± 0.16 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 63 |
| Hermann-Mauguin space group symbol | C m c m |
| Hall space group symbol | -C 2c 2 |
| Residual factor for all reflections | 0.0305 |
| Residual factor for significantly intense reflections | 0.0304 |
| Weighted residual factors for significantly intense reflections | 0.0827 |
| Weighted residual factors for all reflections included in the refinement | 0.0827 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.205 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181865 (current) | 2016-04-06 | hkl/2/01/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/01/95. |
2019526.cif 2019526.hkl |
| 180863 | 2016-04-02 | cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/95. |
2019526.cif 2019526.hkl |
| 176760 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01. |
2019526.cif 2019526.hkl |
| 115948 | 2014-06-06 | cif/ Updating files of 2019525, 2019526 Original log message: Adding full bibliography for 2019525--2019526.cif. |
2019526.cif 2019526.hkl |
| 111648 | 2014-04-25 | cif/ hkl/ Adding structures of 2019525, 2019526 via cif-deposit CGI script. |
2019526.cif 2019526.hkl |
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