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Information card for entry 7225386
Preview
| Coordinates | 7225386.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H16 Cu N4 O12 |
|---|---|
| Calculated formula | C21 H16 Cu N4 O12 |
| Title of publication | Particle size effects in the kinetic trapping of a structurally-locked form of a flexible MOF |
| Authors of publication | Linder-Patton, Oliver M.; Bloch, Witold M.; Coghlan, Campbell J.; Sumida, Kenji; Kitagawa, Susumu; Furukawa, Shuhei; Doonan, Christian J.; Sumby, Christopher J. |
| Journal of publication | CrystEngComm |
| Year of publication | 2016 |
| Journal volume | 18 |
| Journal issue | 22 |
| Pages of publication | 4172 |
| a | 9.4 ± 0.0002 Å |
| b | 19.5102 ± 0.0003 Å |
| c | 14.7022 ± 0.0002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2696.32 ± 0.08 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 62 |
| Hermann-Mauguin space group symbol | P n m a |
| Hall space group symbol | -P 2ac 2n |
| Residual factor for all reflections | 0.0427 |
| Residual factor for significantly intense reflections | 0.0354 |
| Weighted residual factors for significantly intense reflections | 0.0954 |
| Weighted residual factors for all reflections included in the refinement | 0.0996 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.11 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 183193 (current) | 2016-06-01 | cif/ Adding structures of 7225385, 7225386 via cif-deposit CGI script. |
7225386.cif |
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Users of the data should acknowledge the original authors of the
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