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Information card for entry 1567144
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| Coordinates | 1567144.cif |
|---|---|
| Structure factors | 1567144.hkl |
| Original IUCr paper | HTML |
| Chemical name | Tetraaquadodekakis-μ~2~-chlorido-diiodido-<i>octahedro</i>-\ hexaniobium(12 <i>Nb</i>—<i>Nb</i>) tetrahydrofuran octasolvate |
|---|---|
| Formula | C32 H72 Cl12 I2 Nb6 O12 |
| Calculated formula | C32 H72 Cl12 I2 Nb6 O12 |
| Title of publication | Tetraaquadodekakis-μ~2~-chlorido-diiodido-<i>octahedro</i>-hexaniobium(12 <i>Nb</i>—<i>Nb</i>) tetrahydrofuran octasolvate |
| Authors of publication | Schröder, Florian; Köckerling, Martin |
| Journal of publication | IUCrData |
| Year of publication | 2022 |
| Journal volume | 7 |
| Journal issue | 6 |
| Pages of publication | x220618 |
| a | 19.3389 ± 0.0007 Å |
| b | 18.1968 ± 0.0007 Å |
| c | 34.039 ± 0.001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 11978.5 ± 0.7 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0804 |
| Residual factor for significantly intense reflections | 0.0512 |
| Weighted residual factors for significantly intense reflections | 0.1167 |
| Weighted residual factors for all reflections included in the refinement | 0.1322 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 276081 (current) | 2022-06-17 | cif/ hkl/ Adding structures of 1567144 via cif-deposit CGI script. |
1567144.cif 1567144.hkl |
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Users of the data should acknowledge the original authors of the
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