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Information card for entry 4502147
Preview
| Coordinates | 4502147.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C30 H42 Cd N4 O8 |
|---|---|
| Calculated formula | C30 H42 Cd N4 O8 |
| Title of publication | Two Chiral Nonlinear Optical Coordination Networks Based on Interwoven Two-Dimensional Square Grids of Double Helices |
| Authors of publication | Huang, Qian; Yu, Jiancan; Gao, Junkuo; Rao, Xingtang; Yang, Xiuli; Cui, Yuanjing; Wu, Chuande; Zhang, Zhangjing; Xiang, Shengchang; Chen, Banglin; Qian, Guodong |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2010 |
| Journal volume | 10 |
| Journal issue | 12 |
| Pages of publication | 5291 |
| a | 19.893 ± 0.0007 Å |
| b | 9.0654 ± 0.0003 Å |
| c | 9.4049 ± 0.0003 Å |
| α | 90° |
| β | 99.598 ± 0.003° |
| γ | 90° |
| Cell volume | 1672.32 ± 0.1 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 5 |
| Hermann-Mauguin space group symbol | C 1 2 1 |
| Hall space group symbol | C 2y |
| Residual factor for all reflections | 0.0204 |
| Residual factor for significantly intense reflections | 0.0203 |
| Weighted residual factors for significantly intense reflections | 0.041 |
| Weighted residual factors for all reflections included in the refinement | 0.041 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.014 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 198632 (current) | 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. |
4502147.cif |
| 179552 | 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 4/50/21. |
4502147.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4502147.cif |
| 36265 | 2012-03-01 | ../uploads/cif-deposit/cod/cif Adding structures of 4502147 via cif-deposit CGI script. |
4502147.cif |
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Users of the data should acknowledge the original authors of the
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