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Information card for entry 7122781
Preview
| Coordinates | 7122781.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C104 H82 Co2 N28 O13 |
|---|---|
| Calculated formula | C104 H82 Co2 N28 O13 |
| Title of publication | Solvent-Directed Control over the Topology of Entanglement in Square Lattice (sql) Coordination Networks |
| Authors of publication | Zaworotko, Michael; Sanii, Rana; Hua, Carol; Patyk-Kaźmierczak, Ewa |
| Journal of publication | Chemical Communications |
| Year of publication | 2019 |
| a | 22.0586 ± 0.0009 Å |
| b | 9.503 ± 0.0004 Å |
| c | 44.7513 ± 0.0018 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 9380.9 ± 0.7 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 99.97 K |
| Number of distinct elements | 5 |
| Space group number | 60 |
| Hermann-Mauguin space group symbol | P b c n |
| Hall space group symbol | -P 2n 2ab |
| Residual factor for all reflections | 0.0933 |
| Residual factor for significantly intense reflections | 0.0752 |
| Weighted residual factors for significantly intense reflections | 0.1651 |
| Weighted residual factors for all reflections included in the refinement | 0.1732 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.142 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 212901 (current) | 2019-01-11 | cif/ Adding structures of 7122781, 7122782, 7122783 via cif-deposit CGI script. |
7122781.cif |
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Users of the data should acknowledge the original authors of the
structural data.