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Information card for entry 4514265
Preview
| Coordinates | 4514265.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C66 H30 Cu6 N0 O36 S3 |
|---|---|
| Calculated formula | C66 H30 Cu6 O36 S3 |
| Title of publication | Development of a Porous Coordination Polymer with a High Gas Capacity Using a Thiophene-Based Bent Tetracarboxylate Ligand. |
| Authors of publication | Wang, Fei; Kusaka, Shinpei; Hijikata, Yuh; Hosono, Nobuhiko; Kitagawa, Susumu |
| Journal of publication | ACS applied materials & interfaces |
| Year of publication | 2017 |
| Journal volume | 9 |
| Journal issue | 39 |
| Pages of publication | 33455 - 33460 |
| a | 26.2639 ± 0.0005 Å |
| b | 33.4313 ± 0.0006 Å |
| c | 18.7507 ± 0.0003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 16463.8 ± 0.5 Å3 |
| Cell temperature | 103 ± 2 K |
| Ambient diffraction temperature | 103 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 63 |
| Hermann-Mauguin space group symbol | C m c m |
| Hall space group symbol | -C 2c 2 |
| Residual factor for all reflections | 0.0565 |
| Residual factor for significantly intense reflections | 0.0484 |
| Weighted residual factors for significantly intense reflections | 0.1573 |
| Weighted residual factors for all reflections included in the refinement | 0.1676 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.016 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 202557 (current) | 2017-11-04 | cif/ Adding structures of 4514265 via cif-deposit CGI script. |
4514265.cif |
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