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Information card for entry 1567182
Preview
| Coordinates | 1567182.cif |
|---|---|
| Structure factors | 1567182.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis{[amino(iminiumyl)methyl]urea} tetrakis{2-[(dimethylamino)(iminiumyl)methyl]guanidine} di-μ~6~-oxido-tetra-μ~3~-oxido-tetradeca-μ~2~-oxido-octaoxidodecavanadium(V) tetrahydrate |
|---|---|
| Formula | C20 H70 N28 O34 V10 |
| Calculated formula | C20 H70 N28 O34 V10 |
| SMILES | C(=NC(N)=[N+](C)C)(N)N.C(=NC(N)=[N+](C)C)(N)N.C(=[NH2+])(N)NC(=O)N.O1[V]2345[O]6[V]789(=O)O[V]%10%11%12(=O)O[V]%131(=O)(O8)O[V]18([O]3[V]3%14%15(O[V]%16%17(=O)(O[V]%18%196(=O)[O]7[V]6(O[V](=O)(O%16)(O%14)(O%18)[O]4%15%17%196)([O]13)(O%11)[O]59%12%138)O2)=O)(=O)O%10.O.O.C(=NC(N)=[N+](C)C)(N)N.C(=NC(N)=[N+](C)C)(N)N.C(=[NH2+])(N)NC(=O)N.O.O |
| Title of publication | Bis{[amino(iminiumyl)methyl]urea} tetrakis{2-[(dimethylamino)(iminiumyl)methyl]guanidine} di-μ~6~-oxido-tetra-μ~3~-oxido-tetradeca-μ~2~-oxido-octaoxidodecavanadium(V) tetrahydrate |
| Authors of publication | Pérez-Benítez, Aarón; Ariza-Ramírez, Jorge Luis; Fortis-Valera, Monserrat; Arroyo-Carmona, Rosa Elena; Martínez de la Luz, María Isabel; Ramírez-Contreras, Diego; Bernès, Sylvain |
| Journal of publication | IUCrData |
| Year of publication | 2022 |
| Journal volume | 7 |
| Journal issue | 6 |
| Pages of publication | x220627 |
| a | 8.9701 ± 0.0003 Å |
| b | 13.2202 ± 0.0005 Å |
| c | 14.0861 ± 0.0005 Å |
| α | 99.609 ± 0.003° |
| β | 103.133 ± 0.003° |
| γ | 107.676 ± 0.003° |
| Cell volume | 1499 ± 0.1 Å3 |
| Cell temperature | 263 ± 1 K |
| Ambient diffraction temperature | 263 ± 1 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 | 0.0685 |
| Residual factor for significantly intense reflections | 0.0402 |
| Weighted residual factors for significantly intense reflections | 0.0945 |
| Weighted residual factors for all reflections included in the refinement | 0.1012 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.828 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.56083 Å |
| Diffraction radiation type | AgKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 276266 (current) | 2022-06-25 | cif/ hkl/ Adding structures of 1567182 via cif-deposit CGI script. |
1567182.cif 1567182.hkl |
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