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Information card for entry 1552054
Preview
| Coordinates | 1552054.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C162 H90 O47 Y9 |
|---|---|
| Calculated formula | C162 H90 O47 Y9 |
| Title of publication | Discovery and introduction of a (3,18)-connected net as an ideal blueprint for the design of metal-organic frameworks |
| Authors of publication | Vincent Guillerm; Lukasz J. Weselinski; Youssef Belmabkhout; Amy J. Cairns; Valerio D Elia; Lukasz Wojtas; Karim Adil; Mohamed Eddaoudi |
| Journal of publication | Nature Chemistry |
| Year of publication | 2014 |
| Journal volume | 6 |
| Pages of publication | 673 - 680 |
| a | 22.2055 ± 0.0011 Å |
| b | 22.2055 ± 0.0011 Å |
| c | 33.1729 ± 0.0017 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 14165.6 ± 1.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 194 |
| Hermann-Mauguin space group symbol | P 63/m m c |
| Hall space group symbol | -P 6c 2c |
| Residual factor for all reflections | 0.1102 |
| Residual factor for significantly intense reflections | 0.0735 |
| Weighted residual factors for significantly intense reflections | 0.1998 |
| Weighted residual factors for all reflections included in the refinement | 0.2153 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.978 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 216872 (current) | 2019-07-09 | cif/ Adding structures of 1552054 via cif-deposit CGI script. |
1552054.cif |
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Users of the data should acknowledge the original authors of the
structural data.