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Information card for entry 4345990
Preview
| Coordinates | 4345990.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | coordination-polymeric hexazirconium heptahydroxo pentaaqua complex with two anions of tetra-1,3,5,7-(carboxyphenyl)adamantane, solvate with N,N-dimethylformamide, formic acid and water |
|---|---|
| Chemical name | poly{[μ~8~-((adamantane-1,3,5,7-tetrayl)tetra(phen-4-yl))tetra(carboxylate-\ κ<i>O:</i>κ<i>O'</i>)][bis(μ~6~-((adamantane-1,3,5,7-\ tetrayl)tetra(phen-4-yl))(tri(carboxylate-\ κ<i>O:</i>κ<i>O')</i>)(carboxylic acid))] tetra(μ~3~-oxo)tetra(μ~3~-hydroxo)di(hydroxo)tetraaquahexazirconium(IV)}, solvate with N,N-dimethylformamide, formic acid and water |
| Formula | C114 H96 O36 Zr6 |
| Calculated formula | C114 H88 O36 Zr6 |
| Title of publication | Ligand Excess "Inverse-Defected" Zr<sub>6</sub> Tetrahedral Tetracarboxylate Framework and Its Thermal Transformation. |
| Authors of publication | Nateghi, Bahareh; Domasevitch, Kostiantyn V.; Bulánek, Roman; Janiak, Christoph; Boldog, Ishtvan |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2019 |
| Journal volume | 58 |
| Journal issue | 19 |
| Pages of publication | 12786 - 12797 |
| a | 24.261 ± 0.005 Å |
| b | 30.967 ± 0.006 Å |
| c | 25.454 ± 0.005 Å |
| α | 90° |
| β | 101.91 ± 0.03° |
| γ | 90° |
| Cell volume | 18712 ± 7 Å3 |
| Cell temperature | 180 ± 2 K |
| Ambient diffraction temperature | 180 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0392 |
| Residual factor for significantly intense reflections | 0.0341 |
| Weighted residual factors for significantly intense reflections | 0.1072 |
| Weighted residual factors for all reflections included in the refinement | 0.11 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.985 |
| Diffraction radiation wavelength | 1.54186 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 220621 (current) | 2019-11-01 | cif/ Adding structures of 4345990, 4345991, 4345992, 4345993 via cif-deposit CGI script. |
4345990.cif |
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