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Information card for entry 2312595
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| Coordinates | 2312595.cif |
|---|---|
| Structure factors | 2312595.hkl |
| Original paper (by DOI) | HTML |
| Common name | [(Bg)(HV10O285-)]0.4/[(HGU+)(HV10O286-)]0.6(H2Met2+)2(H3O+) Octahydrate |
|---|---|
| Chemical name | imidodicarbonimidic diamide bis(dihydro-3-(diaminomethylidene)-1,1-dimethylguanidine) bis(μ~6~-oxo)-tetrakis(μ~3~-oxo)-tetradecakis(μ~2~-oxo)-octa-oxo- deca-vanadium(V) octahydrate |
| Formula | C10 H53 N14.4 O37.6 V10 |
| Calculated formula | C10 H49.4 N14.4 O37.6 V10 |
| Title of publication | Substitutional/positional disorder of biguanide and guanylurea in the structure of a decavanadate complex [(Bg)(HV<sub>10</sub>O<sub>28</sub><sup>5-</sup>)]<sub>0.4</sub>[(HGU<sup>+</sup>)(V<sub>10</sub>O<sub>28</sub><sup>6-</sup>)]<sub>0.6</sub>(H<sub>2</sub>Met<sup>2+</sup>)<sub>2</sub>(H<sub>3</sub>O<sup>+</sup>)·8H<sub>2</sub>O. |
| Authors of publication | Chatkon, Aungkana; Haller, Kenneth J.; Haller, Joseph P. |
| Journal of publication | Acta crystallographica Section B, Structural science, crystal engineering and materials |
| Year of publication | 2024 |
| Journal volume | 80 |
| Journal issue | 5 |
| a | 13.4299 ± 0.0022 Å |
| b | 12.4338 ± 0.0022 Å |
| c | 14.4959 ± 0.0024 Å |
| α | 90° |
| β | 111.519 ± 0.008° |
| γ | 90° |
| Cell volume | 2251.9 ± 0.7 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0378 |
| Residual factor for significantly intense reflections | 0.0278 |
| Weighted residual factors for significantly intense reflections | 0.0676 |
| Weighted residual factors for all reflections included in the refinement | 0.0723 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 294338 (current) | 2024-09-03 | cif/ hkl/ Adding structures of 2312595 via cif-deposit CGI script. |
2312595.cif 2312595.hkl |
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