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Information card for entry 1545312
Preview
| Coordinates | 1545312.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Zr6O4(OH)4(bpydc)5.64(NiBr2)5.64 |
|---|---|
| Formula | C67.68 H33.84 Br11.28 N11.28 Ni5.64 O30.56 Zr6 |
| Calculated formula | C67.68 H33.84 Br11.28 N11.28 Ni5.64 O30.56 Zr6 |
| Title of publication | Ethylene Oligomerization in Metal‒Organic Frameworks Bearing Nickel(II) 2,2′-Bipyridine Complexes |
| Authors of publication | Gonzalez, Miguel; Oktawiec, Julia; Long, Jeffrey R. |
| Journal of publication | Faraday Discuss. |
| Year of publication | 2017 |
| a | 26.2758 ± 0.0008 Å |
| b | 26.2758 ± 0.0008 Å |
| c | 26.2758 ± 0.0008 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 18141.3 ± 1 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 205 |
| Hermann-Mauguin space group symbol | P a -3 |
| Hall space group symbol | -P 2ac 2ab 3 |
| Residual factor for all reflections | 0.0715 |
| Residual factor for significantly intense reflections | 0.0651 |
| Weighted residual factors for significantly intense reflections | 0.2002 |
| Weighted residual factors for all reflections included in the refinement | 0.2046 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.151 |
| Diffraction radiation wavelength | 0.8856 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 192476 (current) | 2017-02-23 | cif/ Adding structures of 1545312 via cif-deposit CGI script. |
1545312.cif |
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