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Information card for entry 4506779
Preview
| Coordinates | 4506779.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | di-dichloromethane solvate |
|---|---|
| Formula | C68.85 H98 Cl7.15 F8.55 N4 O16.55 S2.85 |
| Calculated formula | C68.85 H98 Cl7.15 F8.55 N4 O16.55 S2.85 |
| Title of publication | Binding Modes of Nonspherical Anions toN-Alkylammonium Resorcinarenes in the Solid State |
| Authors of publication | Beyeh, N. Kodiah; Cetina, Mario; Rissanen, Kari |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2012 |
| Journal volume | 12 |
| Journal issue | 10 |
| Pages of publication | 4919 |
| a | 33.447 ± 0.0009 Å |
| b | 24.8056 ± 0.0009 Å |
| c | 25.2165 ± 0.0008 Å |
| α | 90° |
| β | 128.917 ± 0.001° |
| γ | 90° |
| Cell volume | 16278.1 ± 0.9 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.1747 |
| Residual factor for significantly intense reflections | 0.1367 |
| Weighted residual factors for significantly intense reflections | 0.419 |
| Weighted residual factors for all reflections included in the refinement | 0.4653 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179603 (current) | 2016-03-24 | cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/67. |
4506779.cif |
| 171409 | 2015-12-10 | cif/4/50/ (antanas@echidna.ibt.lt) Removing _chemical_name_systematic and _chemical_melting_point tags with empty or malformed values from entries 4506776, 4506777, 4506778, 4506779. |
4506779.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4506779.cif |
| 71810 | 2013-01-21 | cif/ Adding structures of 4506779 via cif-deposit CGI script. |
4506779.cif |
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