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Information card for entry 7044811
Preview
| Coordinates | 7044811.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H18 Br Cu N3 O4 |
|---|---|
| Calculated formula | C20 H18 Br Cu N3 O4 |
| Title of publication | Syntheses, structures, and magnetic properties of two unique Cu(II)-based coordination polymers involving crystal-to-crystal structural transformation from 1D chain to 3D network |
| Authors of publication | Yang, Xu-Feng; Liu, Min; Zhu, Hai-Bin; Hang, Cheng; Zhao, Yue |
| Journal of publication | Dalton Transactions |
| Year of publication | 2017 |
| a | 32.4787 ± 0.0016 Å |
| b | 32.4787 ± 0.0016 Å |
| c | 10.5745 ± 0.0005 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 9660.2 ± 0.8 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 148 |
| Hermann-Mauguin space group symbol | R -3 :H |
| Hall space group symbol | -R 3 |
| Residual factor for all reflections | 0.1089 |
| Residual factor for significantly intense reflections | 0.0642 |
| Weighted residual factors for significantly intense reflections | 0.1243 |
| Weighted residual factors for all reflections included in the refinement | 0.1402 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 203326 (current) | 2017-11-18 | cif/ Adding structures of 7044810, 7044811 via cif-deposit CGI script. |
7044811.cif |
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