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Information card for entry 1565969
Preview
| Coordinates | 1565969.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C94 H76 B2 Cu2 F8 N4 P4 |
|---|---|
| Calculated formula | C94 H76 B2 Cu2 F8 N4 P4 |
| Title of publication | Structural characterization, DFT studies and luminescent properties of dinuclear copper(I)-diimine complexes with the S-shape configurations |
| Authors of publication | Zheng, Dan; Huang, Ting-Hong; Luo, Cheng; Tang, Jing |
| Journal of publication | Inorganica Chimica Acta |
| Year of publication | 2022 |
| Journal volume | 529 |
| Pages of publication | 120639 |
| a | 13.074 ± 0.008 Å |
| b | 14.786 ± 0.009 Å |
| c | 14.943 ± 0.009 Å |
| α | 61.869 ± 0.01° |
| β | 70.792 ± 0.011° |
| γ | 66.806 ± 0.011° |
| Cell volume | 2305 ± 2 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296.15 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.184 |
| Residual factor for significantly intense reflections | 0.0827 |
| Weighted residual factors for significantly intense reflections | 0.2472 |
| Weighted residual factors for all reflections included in the refinement | 0.3117 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.966 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 272003 (current) | 2022-01-12 | cif/ Adding structures of 1565969 via cif-deposit CGI script. |
1565969.cif |
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Users of the data should acknowledge the original authors of the
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