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Information card for entry 4516316
Preview
| Coordinates | 4516316.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C40 H42 Cl2 N12 Ni2 O16 |
|---|---|
| Calculated formula | C40 H42 Cl2 N12 Ni2 O16 |
| Title of publication | Chiral Recognition between Metallohelicates via Strong H Bonds: Homochiral Bishelical Coupling and Mesohelical Polymerization |
| Authors of publication | Sanmartín-Matalobos, Jesús; Portela-García, Cristina; Fondo, Matilde; García-Deibe, Ana M. |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2015 |
| Journal volume | 15 |
| Journal issue | 9 |
| Pages of publication | 4318 |
| a | 13.004 ± 0.003 Å |
| b | 14.526 ± 0.003 Å |
| c | 15.719 ± 0.003 Å |
| α | 96.334 ± 0.011° |
| β | 111.829 ± 0.01° |
| γ | 112.19 ± 0.01° |
| Cell volume | 2441.2 ± 1 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.123 |
| Residual factor for significantly intense reflections | 0.0685 |
| Weighted residual factors for significantly intense reflections | 0.1617 |
| Weighted residual factors for all reflections included in the refinement | 0.193 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.019 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 231244 (current) | 2019-11-22 | cif/ Adding structures of 4516316 via cif-deposit CGI script. |
4516316.cif |
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Users of the data should acknowledge the original authors of the
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