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Information card for entry 4119915
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| Coordinates | 4119915.cif |
|---|---|
| Structure factors | 4119915.hkl |
| Original paper (by DOI) | HTML |
| Formula | C288 H200 B6.67 Cl1.33 F26.67 N16 O16 Pd4 |
|---|---|
| Calculated formula | C288 H200 B6.6664 Cl1.3334 F26.6656 N16 O16 Pd4 |
| Title of publication | Template Control over Dimerization and Guest Selectivity of Interpenetrated Coordination Cages |
| Authors of publication | Sabrina Freye; Reent Michel; Dietmar Stalke; Martin Pawliczek; Holm Frauendorf; Guido H. Clever |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2013 |
| Journal volume | 135 |
| Pages of publication | 8476 - 8479 |
| a | 39.03 ± 0.002 Å |
| b | 39.03 ± 0.002 Å |
| c | 39.03 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 59456 ± 5 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 222 |
| Hermann-Mauguin space group symbol | P n -3 n |
| Hall space group symbol | -P 4a 2bc 3 |
| Residual factor for all reflections | 0.2266 |
| Residual factor for significantly intense reflections | 0.2212 |
| Weighted residual factors for significantly intense reflections | 0.5388 |
| Weighted residual factors for all reflections included in the refinement | 0.5471 |
| Goodness-of-fit parameter for all reflections included in the refinement | 5.46 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181929 (current) | 2016-04-07 | hkl/4/ (antanas@echidna.ibt.lt) Adding svn headers to multiple entries in subrange 4/11. |
4119915.cif 4119915.hkl |
| 180700 | 2016-04-02 | cod/ (antanas@echidna.ibt.lt) Setting the 'svn:keywords' property for all '*.hkl' files that were previously unaffected by this property. |
4119915.cif 4119915.hkl |
| 178970 | 2016-03-22 | cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/99. |
4119915.cif 4119915.hkl |
| 107629 | 2014-03-20 | hkl/4 Insert experimental data from SHELX-13 generated files for JACS-2013 entries. |
4119915.cif 4119915.hkl |
| 104547 | 2014-03-11 | cif/ Adding structures of 4119915 via cif-deposit CGI script. |
4119915.cif |
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Users of the data should acknowledge the original authors of the
structural data.