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Information card for entry 4513673
Preview
| Coordinates | 4513673.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C68 H50 Co3 N6 O18 |
|---|---|
| Calculated formula | C34 H25 Co1.5 N3 O9 |
| Title of publication | Three-Dimensional Supramolecular Architectures with CoIIIons Assembled from Hydrogen Bonding and π···π Stacking Interactions: Crystal Structures and Antiferromagnetic Properties |
| Authors of publication | Si, Chang-Dai; Hu, Dong-Cheng; Fan, Yan; Dong, Xiu-Yan; Yao, Xiao-Qiang; Yang, Yun-Xia; Liu, Jia-Cheng |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2015 |
| Journal volume | 15 |
| Journal issue | 12 |
| Pages of publication | 5781 |
| a | 33.24 ± 0.003 Å |
| b | 11.4583 ± 0.0006 Å |
| c | 16.7276 ± 0.0009 Å |
| α | 90° |
| β | 102.785 ± 0.007° |
| γ | 90° |
| Cell volume | 6213.1 ± 0.7 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 | 0.0792 |
| Residual factor for significantly intense reflections | 0.0536 |
| Weighted residual factors for significantly intense reflections | 0.1162 |
| Weighted residual factors for all reflections included in the refinement | 0.1331 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.004 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176428 (current) | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
4513673.cif |
| 170779 | 2015-12-06 | cif/ Updating files of 4513672, 4513673, 4513674, 4513675, 4513676 Original log message: Adding full bibliography for 4513672--4513676.cif. |
4513673.cif |
| 169866 | 2015-10-30 | cif/ Adding structures of 4513672, 4513673, 4513674, 4513675, 4513676 via cif-deposit CGI script. |
4513673.cif |
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Users of the data should acknowledge the original authors of the
structural data.