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Information card for entry 1572196
Preview
| Coordinates | 1572196.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C25 H32 Cl2 Gd I4 N |
|---|---|
| Calculated formula | C25 H32 Cl2 Gd I4 N |
| Title of publication | Construction of intermolecular σ-hole interactions in rare earth metallocene complexes using a 2,3,4,5-tetraiodopyrrolyl anion. |
| Authors of publication | Delano, 4th, Francis; Benner, Florian; Jang, Seoyun; Greer, Samuel M.; Demir, Selvan |
| Journal of publication | Chemical science |
| Year of publication | 2024 |
| Journal volume | 15 |
| Journal issue | 33 |
| Pages of publication | 13389 - 13404 |
| a | 10.3396 ± 0.0002 Å |
| b | 14.3064 ± 0.0003 Å |
| c | 21.2014 ± 0.0004 Å |
| α | 90° |
| β | 101.314 ± 0.002° |
| γ | 90° |
| Cell volume | 3075.22 ± 0.11 Å3 |
| Cell temperature | 99.8 ± 0.6 K |
| Ambient diffraction temperature | 99.8 ± 0.6 K |
| Number of distinct elements | 6 |
| 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 | 0.0375 |
| Residual factor for significantly intense reflections | 0.0301 |
| Weighted residual factors for significantly intense reflections | 0.0686 |
| Weighted residual factors for all reflections included in the refinement | 0.0719 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.065 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 294477 (current) | 2024-09-06 | cif/ Updating files of 1572175, 1572176, 1572177, 1572178, 1572179, 1572180, 1572181, 1572182, 1572183, 1572184, 1572185, 1572186, 1572187, 1572188, 1572189, 1572190, 1572191, 1572192, 1572193, 1572194, 1572195, 1572196, 1572197, 1572198, 1572199 Original log message: Adding full bibliography for 1572175--1572199.cif. |
1572196.cif |
| 293554 | 2024-07-27 | cif/ Adding structures of 1572175, 1572176, 1572177, 1572178, 1572179, 1572180, 1572181, 1572182, 1572183, 1572184, 1572185, 1572186, 1572187, 1572188, 1572189, 1572190, 1572191, 1572192, 1572193, 1572194, 1572195, 1572196, 1572197, 1572198, 1572199 via cif-deposit CGI script. |
1572196.cif |
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Users of the data should acknowledge the original authors of the
structural data.