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Information card for entry 1570053
Preview
| Coordinates | 1570053.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | Poly[[(μ~3~-adamantane-1,3-diacetato)[μ-<i>N</i>-(pyridin-3-yl)isonicotinamide]nickel(II)] monohydrate], |
|---|---|
| Formula | C25 H29 N3 Ni O6 |
| Calculated formula | C25 H29 N3 Ni O6 |
| Title of publication | Poly[[(μ3-adamantane-1,3-diacetato)[μ-N-(pyridin-3-yl)isonicotinamide]nickel(II)] monohydrate], a layered coordination polymer with triangular (3,6) topology |
| Authors of publication | Travis, Jamelah Z.; LaDuca, Robert L. |
| Journal of publication | IUCrData |
| Year of publication | 2023 |
| Journal volume | 8 |
| Journal issue | 10 |
| a | 21.789 ± 0.003 Å |
| b | 9.5494 ± 0.0012 Å |
| c | 22.2 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4619.2 ± 1.1 Å3 |
| Cell temperature | 173.15 K |
| Ambient diffraction temperature | 173.15 K |
| Number of distinct elements | 5 |
| 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 | 0.0709 |
| Residual factor for significantly intense reflections | 0.0479 |
| Weighted residual factors for significantly intense reflections | 0.1195 |
| Weighted residual factors for all reflections included in the refinement | 0.1338 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 286822 (current) | 2023-10-06 | cif/ Adding structures of 1570053 via cif-deposit CGI script. |
1570053.cif |
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