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Information card for entry 4103741
Preview
| Coordinates | 4103741.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C40 H56 N4 O12 Si |
|---|---|
| Calculated formula | C40 H56 N4 O12 Si |
| Title of publication | Deformation of Porous Molecular Networks Induced by the Exchange of Guests in Single Crystals |
| Authors of publication | Okba Saied; Thierry Maris; James D. Wuest |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2003 |
| Journal volume | 125 |
| Pages of publication | 14956 - 14957 |
| a | 15.413 ± 0.002 Å |
| b | 15.413 ± 0.002 Å |
| c | 9.5845 ± 0.0019 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2276.9 ± 0.6 Å3 |
| Cell temperature | 223 ± 2 K |
| Ambient diffraction temperature | 223 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 86 |
| Hermann-Mauguin space group symbol | P 42/n :2 |
| Hall space group symbol | -P 4bc |
| Residual factor for all reflections | 0.233 |
| Residual factor for significantly intense reflections | 0.0954 |
| Weighted residual factors for significantly intense reflections | 0.2116 |
| Weighted residual factors for all reflections included in the refinement | 0.2514 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.087 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301832 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/10/ Each referenced PubChem compound corresponds to the full crystal structure. |
4103741.cif |
| 178783 | 2016-03-21 | cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/37. |
4103741.cif |
| 120076 | 2014-07-11 | Adding DOIs to range 4/10 structures. | 4103741.cif |
| 68100 | 2012-10-17 | Fixing bibliography or Z/formula values for some entries. |
4103741.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4103741.cif |
| 26824 | 2011-09-26 | ../uploads/cif-deposit/cod/cif Adding structures of 4103739, 4103740, 4103741, 4103742 via cif-deposit CGI script. |
4103741.cif |
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Users of the data should acknowledge the original authors of the
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