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Information card for entry 7049094
Preview
| Coordinates | 7049094.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C76 H94 B2 Cl16 Mg2 N8 O3 |
|---|---|
| Calculated formula | C76 H94 B2 Cl16 Mg2 N8 O3 |
| Title of publication | Amidomagnesium cations. |
| Authors of publication | Banerjee, Sumanta; Ankur, ?; Andrews, Alex P.; Varghese, Babu; Venugopal, Ajay |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2019 |
| Journal volume | 48 |
| Journal issue | 21 |
| Pages of publication | 7313 - 7319 |
| a | 12.9003 ± 0.0004 Å |
| b | 13.2308 ± 0.0004 Å |
| c | 13.5186 ± 0.0004 Å |
| α | 86.834 ± 0.002° |
| β | 70.336 ± 0.001° |
| γ | 88.059 ± 0.002° |
| Cell volume | 2169.21 ± 0.11 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 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 | 0.0673 |
| Residual factor for significantly intense reflections | 0.0417 |
| Weighted residual factors for significantly intense reflections | 0.1039 |
| Weighted residual factors for all reflections included in the refinement | 0.115 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.983 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301850 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/04/ Each referenced PubChem compound corresponds to the full crystal structure. |
7049094.cif |
| 224444 | 2019-11-08 | cif/ Updating files of 7049090, 7049091, 7049092, 7049093, 7049094, 7049095, 7049096 Original log message: Adding full bibliography for 7049090--7049096.cif. |
7049094.cif |
| 213773 | 2019-02-22 | cif/ Adding structures of 7049090, 7049091, 7049092, 7049093, 7049094, 7049095, 7049096 via cif-deposit CGI script. |
7049094.cif |
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Users of the data should acknowledge the original authors of the
structural data.