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Information card for entry 4511279
Preview
| Coordinates | 4511279.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C52 H54 F2 N8 O14 Zn2 |
|---|---|
| Calculated formula | C52 H54 F2 N8 O14 Zn2 |
| Title of publication | Syntheses, Structures, and Second-Order Nonlinear Optical Properties of Chiral Zinc(II) Coordination Polymers Based on (R)-4-(4-(1-Carboxyethoxy)phenoxy)-3-fluorobenzoic Acid and Effect of the Second Ligand with Imidazole Group |
| Authors of publication | Ye, Han-Tao; Ren, Chang-Yue; Hou, Guang-Feng; Yu, Ying-Hui; Xu, Xin; Gao, Jin-Sheng; Yan, Peng-Fei; Ng, Seik-Weng |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2014 |
| Journal volume | 14 |
| Journal issue | 7 |
| Pages of publication | 3309 |
| a | 10.3254 ± 0.0003 Å |
| b | 17.7175 ± 0.0006 Å |
| c | 14.3986 ± 0.0004 Å |
| α | 90° |
| β | 95.878 ± 0.002° |
| γ | 90° |
| Cell volume | 2620.23 ± 0.14 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0603 |
| Residual factor for significantly intense reflections | 0.0456 |
| Weighted residual factors for significantly intense reflections | 0.1003 |
| Weighted residual factors for all reflections included in the refinement | 0.1089 |
| 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 |
|---|---|---|---|
| 179659 (current) | 2016-03-24 | cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/12. |
4511279.cif |
| 119036 | 2014-07-05 | cif/ Updating files of 4511278, 4511279, 4511280, 4511281, 4511282 Original log message: Adding full bibliography for 4511278--4511282.cif. |
4511279.cif |
| 116310 | 2014-06-08 | cif/ Adding structures of 4511278, 4511279, 4511280, 4511281, 4511282 via cif-deposit CGI script. |
4511279.cif |
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Users of the data should acknowledge the original authors of the
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