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Information card for entry 7704968
Preview
| Coordinates | 7704968.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C54 H80 Ba N4 O Si2 |
|---|---|
| Calculated formula | C54 H80 Ba N4 O Si2 |
| Title of publication | A versatile nitrogen ligand for alkaline-earth chemistry. |
| Authors of publication | Chapple, Peter M.; Cordier, Marie; Dorcet, Vincent; Roisnel, Thierry; Carpentier, Jean-François; Sarazin, Yann |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2020 |
| Journal volume | 49 |
| Journal issue | 34 |
| Pages of publication | 11878 - 11889 |
| a | 13.0429 ± 0.0004 Å |
| b | 22.7081 ± 0.0013 Å |
| c | 19.0827 ± 0.0007 Å |
| α | 90° |
| β | 101.979 ± 0.003° |
| γ | 90° |
| Cell volume | 5528.8 ± 0.4 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0424 |
| Residual factor for significantly intense reflections | 0.0338 |
| Weighted residual factors for significantly intense reflections | 0.078 |
| Weighted residual factors for all reflections included in the refinement | 0.0821 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| 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. |
7704968.cif |
| 256118 | 2020-09-06 | cif/ Updating files of 7704966, 7704967, 7704968, 7704969, 7704970, 7704971, 7704972, 7704973, 7704974, 7704975 Original log message: Adding full bibliography for 7704966--7704975.cif. |
7704968.cif |
| 254694 | 2020-07-31 | cif/ Adding structures of 7704966, 7704967, 7704968, 7704969, 7704970, 7704971, 7704972, 7704973, 7704974, 7704975 via cif-deposit CGI script. |
7704968.cif |
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Users of the data should acknowledge the original authors of the
structural data.