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Information card for entry 4510597
Preview
| Coordinates | 4510597.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C92 H74 Cd2 N8 O12 |
|---|---|
| Calculated formula | C92 H74 Cd2 N8 O12 |
| Title of publication | Interpenetrated Metal‒Organic Framework with Selective Gas Adsorption and Luminescent Properties |
| Authors of publication | Qin, Ling; Ju, Ze-Min; Wang, Zhong-Jie; Meng, Fan-Dian; Zheng, He-Gen; Chen, Jin-Xi |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2014 |
| Journal volume | 14 |
| Journal issue | 6 |
| Pages of publication | 2742 |
| a | 21.1146 ± 0.0011 Å |
| b | 37.6435 ± 0.0019 Å |
| c | 28.2514 ± 0.0014 Å |
| α | 90° |
| β | 108.803 ± 0.001° |
| γ | 90° |
| Cell volume | 21256.6 ± 1.9 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.066 |
| Residual factor for significantly intense reflections | 0.0391 |
| Weighted residual factors for significantly intense reflections | 0.082 |
| Weighted residual factors for all reflections included in the refinement | 0.0852 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 198633 (current) | 2017-07-11 | cod/ (melanie@ameba.ibt.lt) Correcting the '_refine_ls_hydrogen_treatment' data item 'constr' enumeration values with the help of the cif_fix_values script from the cod-tools package revision 5455. The following command was used : cif_fix_values --fix-misspelled src/cod-tools/trunk/data/replacement-values/replacement_values.lst $i | cif_filter --no-exclude-publication-details -h $i | sponge $i A total of 700 files were changed. |
4510597.cif |
| 176432 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
4510597.cif |
| 119077 | 2014-07-05 | cif/ Updating files of 4510597 Original log message: Adding full bibliography for 4510597.cif. |
4510597.cif |
| 112931 | 2014-05-07 | cif/ Adding structures of 4510597 via cif-deposit CGI script. |
4510597.cif |
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Users of the data should acknowledge the original authors of the
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