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Information card for entry 4084513
Preview
| Coordinates | 4084513.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C40 H74 Ca N8 P4 |
|---|---|
| Calculated formula | C40 H74 Ca N8 P4 |
| Title of publication | Synthesis and Structural Characterization of Homoleptic 1,2,4-Diazaphospholide Alkaline Earth Metal Complexes |
| Authors of publication | Liu, Dongling; Wang, Yongli; Pi, Chengfu; Zheng, Wenjun |
| Journal of publication | Organometallics |
| Year of publication | 2014 |
| Journal volume | 33 |
| Journal issue | 21 |
| Pages of publication | 6013 |
| a | 13.7274 ± 0.0012 Å |
| b | 19.7191 ± 0.0015 Å |
| c | 20.0531 ± 0.0018 Å |
| α | 90° |
| β | 106.717 ± 0.009° |
| γ | 90° |
| Cell volume | 5198.8 ± 0.8 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 | 0.0991 |
| Residual factor for significantly intense reflections | 0.057 |
| Weighted residual factors for significantly intense reflections | 0.1444 |
| Weighted residual factors for all reflections included in the refinement | 0.1675 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301831 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/08/ Each referenced PubChem compound corresponds to the full crystal structure. |
4084513.cif |
| 178734 | 2016-03-21 | cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/45. |
4084513.cif |
| 127207 | 2014-11-12 | cif/ Updating files of 4084511, 4084512, 4084513 Original log message: Adding full bibliography for 4084511--4084513.cif. |
4084513.cif |
| 125412 | 2014-10-15 | cif/ Adding structures of 4084511, 4084512, 4084513 via cif-deposit CGI script. |
4084513.cif |
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Users of the data should acknowledge the original authors of the
structural data.