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Information card for entry 2312847
Preview
| Coordinates | 2312847.cif |
|---|---|
| Structure factors | 2312847.hkl |
| Original IUCr paper | HTML |
| Chemical name | 2,5-Dihydroxy-3,6-diphenylcyclohexa-2,5-diene-1,4-dione dioxane trisolvate |
|---|---|
| Formula | C30 H36 O10 |
| Calculated formula | C30 H36 O10 |
| Title of publication | Synthesis and crystal structures of a family of bimetallic complexes with phenyl-substituted bridging tetraoxolene ligands. |
| Authors of publication | Kamin, Ashlyn A.; Le, Phuong H.; Brannan, E. J.; Gannon, Paige M.; Krajewski, Sebastian; Kaminsky, Werner; Xiao, Dianne J. |
| Journal of publication | Acta crystallographica. Section C, Structural chemistry |
| Year of publication | 2025 |
| Journal volume | 81 |
| Journal issue | 6 |
| a | 5.4224 ± 0.0005 Å |
| b | 8.9702 ± 0.0009 Å |
| c | 14.1901 ± 0.0014 Å |
| α | 81.071 ± 0.006° |
| β | 84.938 ± 0.006° |
| γ | 78.087 ± 0.006° |
| Cell volume | 666.03 ± 0.11 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1074 |
| Residual factor for significantly intense reflections | 0.0584 |
| Weighted residual factors for significantly intense reflections | 0.1421 |
| Weighted residual factors for all reflections included in the refinement | 0.1611 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 299628 (current) | 2025-05-13 | cif/ hkl/ Adding structures of 2312839, 2312840, 2312841, 2312842, 2312843, 2312844, 2312845, 2312846, 2312847, 2312848 via cif-deposit CGI script. |
2312847.cif 2312847.hkl |
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Users of the data should acknowledge the original authors of the
structural data.