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Information card for entry 4507728
Preview
| Coordinates | 4507728.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C66 H43 Cd2 F12 N4 O13 |
|---|---|
| Calculated formula | C66 H43 Cd2 F12 N4 O13 |
| Title of publication | Tuning Structural Topologies of a Series of Metal‒Organic Frameworks: Different Bent Dicarboxylates |
| Authors of publication | Qin, Ling; Hu, Jinsong; Zhang, Mingdao; Yang, Qingxiang; Li, Yizhi; Zheng, Hegen |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2013 |
| Journal volume | 13 |
| Journal issue | 5 |
| Pages of publication | 2111 |
| a | 13.821 ± 0.009 Å |
| b | 32.91 ± 0.02 Å |
| c | 14.903 ± 0.01 Å |
| α | 90° |
| β | 112.939 ± 0.01° |
| γ | 90° |
| Cell volume | 6243 ± 7 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0639 |
| Residual factor for significantly intense reflections | 0.0523 |
| Weighted residual factors for significantly intense reflections | 0.1497 |
| Weighted residual factors for all reflections included in the refinement | 0.1588 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
| 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. |
4507728.cif |
| 179613 | 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 4/50/77. |
4507728.cif |
| 85649 | 2013-05-07 | cif/ Adding structures of 4507724, 4507725, 4507726, 4507727, 4507728 via cif-deposit CGI script. |
4507728.cif |
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Users of the data should acknowledge the original authors of the
structural data.