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Information card for entry 7701042
Preview
| Coordinates | 7701042.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C22 H20 Cu2 F12 N4 |
|---|---|
| Calculated formula | C22 H20 Cu2 F12 N4 |
| Title of publication | Acetylene and terminal alkyne complexes of copper(i) supported by fluorinated pyrazolates: syntheses, structures, and transformations. |
| Authors of publication | Parasar, Devaborniny; Ponduru, Tharun T.; Noonikara-Poyil, Anurag; Jayaratna, Naleen B.; Dias, H. V. Rasika |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2019 |
| Journal volume | 48 |
| Journal issue | 42 |
| Pages of publication | 15782 - 15794 |
| a | 8.4602 ± 0.0003 Å |
| b | 9.266 ± 0.0004 Å |
| c | 17.3777 ± 0.0007 Å |
| α | 97.758 ± 0.001° |
| β | 90.353 ± 0.001° |
| γ | 107.117 ± 0.001° |
| Cell volume | 1288.5 ± 0.09 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0337 |
| Residual factor for significantly intense reflections | 0.0274 |
| Weighted residual factors for significantly intense reflections | 0.0655 |
| Weighted residual factors for all reflections included in the refinement | 0.0685 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301878 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/70/ Each referenced PubChem compound corresponds to the full crystal structure. |
7701042.cif |
| 224033 | 2019-11-07 | cif/ Updating files of 7701037, 7701038, 7701039, 7701040, 7701041, 7701042 Original log message: Adding full bibliography for 7701037--7701042.cif. |
7701042.cif |
| 218025 | 2019-09-06 | cif/ Adding structures of 7701037, 7701038, 7701039, 7701040, 7701041, 7701042 via cif-deposit CGI script. |
7701042.cif |
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Users of the data should acknowledge the original authors of the
structural data.