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Information card for entry 7246199
Preview
Coordinates | 7246199.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C38 H32 Hg2 N8 Ni2 O4 S4 |
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Calculated formula | C38 H32 Hg2 N8 Ni2 O4 S4 |
SMILES | [Hg]12(SC#N)(SC#[N][Hg]3(SC#N)(SC#[N]2)[O]2[Ni]45[O]3c3ccccc3C=[N]4CCC[N]5=Cc3c2cccc3)[O]2[Ni]34[O]1c1ccccc1C=[N]3CCC[N]4=Cc1c2cccc1 |
Title of publication | Influence of non-covalent interactions on the coordination geometry of Ni(ii) in Ni(ii)–M(ii) complexes (M = Zn and Hg) with a salen-type N2O2 Schiff base ligand and thiocyanate ion as the coligand |
Authors of publication | Das, Lakshmi Kanta; Bhunia, Pradip; Gomila, Rosa M.; Frontera, Antonio; Ghosh, Ashutosh |
Journal of publication | CrystEngComm |
Year of publication | 2023 |
Journal volume | 25 |
Journal issue | 9 |
Pages of publication | 1393 - 1402 |
a | 9.222 ± 0.005 Å |
b | 9.277 ± 0.005 Å |
c | 13.294 ± 0.005 Å |
α | 75.339 ± 0.005° |
β | 74.263 ± 0.005° |
γ | 72.671 ± 0.005° |
Cell volume | 1026.5 ± 0.9 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 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 | 0.0525 |
Residual factor for significantly intense reflections | 0.0412 |
Weighted residual factors for significantly intense reflections | 0.1092 |
Weighted residual factors for all reflections included in the refinement | 0.1165 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
281455 (current) | 2023-03-04 | cif/ Updating files of 7246198, 7246199 Original log message: Adding full bibliography for 7246198--7246199.cif. |
7246199.cif |
280562 | 2023-01-25 | cif/ Adding structures of 7246198, 7246199 via cif-deposit CGI script. |
7246199.cif |
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structural data.