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Information card for entry 1520530
Preview
| Coordinates | 1520530.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C51 H30 Co3 N3 O12 |
|---|---|
| Calculated formula | C51 H30 Co3 N3 O12 |
| Title of publication | Isolation of a structural intermediate during switching of degree of interpenetration in a metal‒organic framework |
| Authors of publication | Aggarwal, Himanshu; Das, Raj Kumar; Bhatt, Prashant M.; Barbour, Leonard J. |
| Journal of publication | Chem. Sci. |
| Year of publication | 2015 |
| Journal volume | 6 |
| Journal issue | 8 |
| Pages of publication | 4986 |
| a | 17.0391 ± 0.0008 Å |
| b | 20.0278 ± 0.001 Å |
| c | 13.8334 ± 0.0007 Å |
| α | 90° |
| β | 96.243 ± 0.003° |
| γ | 90° |
| Cell volume | 4692.7 ± 0.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 5 |
| Hermann-Mauguin space group symbol | C 1 2 1 |
| Hall space group symbol | C 2y |
| Residual factor for all reflections | 0.1141 |
| Residual factor for significantly intense reflections | 0.0588 |
| Weighted residual factors for significantly intense reflections | 0.1373 |
| Weighted residual factors for all reflections included in the refinement | 0.1654 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176428 (current) | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
1520530.cif |
| 153089 | 2015-08-08 | cif/ Updating files of 1520525, 1520526, 1520527, 1520528, 1520529, 1520530 Original log message: Adding full bibliography for 1520525--1520530.cif. |
1520530.cif |
| 139117 | 2015-06-12 | cif/ Adding structures of 1520525, 1520526, 1520527, 1520528, 1520529, 1520530 via cif-deposit CGI script. |
1520530.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.