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Information card for entry 4502877
Preview
| Coordinates | 4502877.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C28 H32 Cd N6 O6 |
|---|---|
| Calculated formula | C28 H18 Cd N6 O6 |
| Title of publication | Syntheses, Structures, and Photoluminescent Properties of Coordination Polymers Based on 1,4-Bis(imidazol-l-yl-methyl)benzene and Various Aromatic Dicarboxylic Acids |
| Authors of publication | Song, Xue-Zhi; Song, Shu-Yan; Qin, Chao; Su, Sheng-Qun; Zhao, Shu-Na; Zhu, Min; Hao, Zhao-Min; Zhang, Hong-Jie |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2012 |
| Journal volume | 12 |
| Journal issue | 1 |
| Pages of publication | 253 |
| a | 17.3468 ± 0.0008 Å |
| b | 7.2668 ± 0.0003 Å |
| c | 24.8936 ± 0.0009 Å |
| α | 90° |
| β | 111.93 ± 0.002° |
| γ | 90° |
| Cell volume | 2910.9 ± 0.2 Å3 |
| Cell temperature | 187 ± 2 K |
| Ambient diffraction temperature | 187 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 13 |
| Hermann-Mauguin space group symbol | P 1 2/c 1 |
| Hall space group symbol | -P 2yc |
| Residual factor for all reflections | 0.0525 |
| Residual factor for significantly intense reflections | 0.0396 |
| Weighted residual factors for significantly intense reflections | 0.104 |
| Weighted residual factors for all reflections included in the refinement | 0.1121 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201370 (current) | 2017-09-27 | cif/ Removing the _symmetry_INT_tables_number data item with malformed values in entries 1518641, 4025490, 4067724, 4074205, 4074207, 4074208, 4104897, 4104898, 4104899, 4316344, 4316345, 4316346, 4317005, 4502875, 4502876, 4502877, 4502878, 4502879, 4502880, 4502881, 4502882, 4502883, 7014502, 7014503, 7014504, 7014505, 7014506, 7021473, 7021474, 7023369, 7023370, 7023371, 7023372, 7023373, 7023374, 7027947, 7030233, 7030234, 7030235, 7030236, 7030237, 7030238, 7105782, 7106232, 7106233, 7106234, 7106235, 7112984, 7201013, 7204257, 7204606, 7205024, 7205025, 7205026, 7205027, 7205028, 7205029, 7205030, 7207975, 7207976, 7207977, 7207978, 7218857, 7219704. The correct value for this data item is retained in the _space_group_IT_number data item. |
4502877.cif |
| 198632 | 2017-07-11 | cod/ (melanie@ameba.ibt.lt) Correcting the '_exptl_absorpt_correction_type' data item 'multi-scan' 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 524 files were changed. |
4502877.cif |
| 179559 | 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 4/50/28. |
4502877.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4502877.cif |
| 37779 | 2012-03-04 | ../uploads/cif-deposit/cod/cif Adding structures of 4502875, 4502876, 4502877, 4502878, 4502879, 4502880, 4502881, 4502882, 4502883 via cif-deposit CGI script. |
4502877.cif |
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Users of the data should acknowledge the original authors of the
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