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Information card for entry 7220275
Preview
| Coordinates | 7220275.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | di-cesium C-methyl tetramethoxy resorcinarene bis-crown-5 bis(hexafluorophosphate) acetone solvate |
|---|---|
| Chemical name | di-cesium C-methyl tetramethoxy resorcinarene bis-crown-5 bis(hexafluorophosphate) acetone solvate |
| Formula | C53.5 H71 Cs2 F12 O14.5 P2 |
| Calculated formula | C53.5 H71 Cs2 F12 O14.5 P2 |
| Title of publication | Influence of lower rim C-methyl group on crystal forms and metal complexation of resorcinarene bis-crown-5 |
| Authors of publication | Helttunen, Kaisa; Tero, Tiia-Riikka; Nissinen, Maija |
| Journal of publication | CrystEngComm |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 19 |
| Pages of publication | 3667 |
| a | 13.2706 ± 0.0003 Å |
| b | 15.2318 ± 0.0003 Å |
| c | 16.1051 ± 0.0004 Å |
| α | 80.0591 ± 0.0019° |
| β | 89.3602 ± 0.0019° |
| γ | 88.922 ± 0.0018° |
| Cell volume | 3205.86 ± 0.13 Å3 |
| Cell temperature | 123 ± 0.1 K |
| Ambient diffraction temperature | 123 ± 0.1 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.047 |
| Residual factor for significantly intense reflections | 0.0408 |
| Weighted residual factors for significantly intense reflections | 0.1086 |
| Weighted residual factors for all reflections included in the refinement | 0.1138 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176429 (current) | 2016-02-13 | cif/ (antanas@kurmis) Replacing _cod_chemical_formula_sum_orig tag with _cod_original_formula_sum tag in multiple entries since the replaced tag is deprecated according to the COD CIF dictionary. |
7220275.cif |
| 138556 | 2015-06-07 | cif/ Updating files of 7220270, 7220271, 7220272, 7220273, 7220274, 7220275, 7220276, 7220277, 7220278, 7220279 Original log message: Adding full bibliography for 7220270--7220279.cif. |
7220275.cif |
| 135815 | 2015-05-09 | cif/ Adding structures of 7220270, 7220271, 7220272, 7220273, 7220274, 7220275, 7220276, 7220277, 7220278, 7220279 via cif-deposit CGI script. |
7220275.cif |
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Users of the data should acknowledge the original authors of the
structural data.