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Information card for entry 4003046
Preview
| Coordinates | 4003046.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C8 H16 Ni O12 |
|---|---|
| Calculated formula | C8 H16 Ni O12 |
| Title of publication | Rational Synthesis of Mixed-Metal Microporous Metal‒Organic Frameworks with Controlled Composition Using Mechanochemistry |
| Authors of publication | Ayoub, Ghada; Karadeniz, Bahar; Howarth, Ashlee J.; Farha, Omar K.; Đilović, Ivica; Germann, Luzia S.; Dinnebier, Robert E.; Užarević, Krunoslav; Friščić, Tomislav |
| Journal of publication | Chemistry of Materials |
| Year of publication | 2019 |
| Journal volume | 31 |
| Journal issue | 15 |
| Pages of publication | 5494 |
| a | 6.9497 ± 0.0005 Å |
| b | 8.6455 ± 0.0005 Å |
| c | 12.4065 ± 0.0009 Å |
| α | 89.144 ± 0.005° |
| β | 87.701 ± 0.006° |
| γ | 67.707 ± 0.006° |
| Cell volume | 689.16 ± 0.09 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0548 |
| Residual factor for significantly intense reflections | 0.0494 |
| Weighted residual factors for significantly intense reflections | 0.1289 |
| Weighted residual factors for all reflections included in the refinement | 0.1355 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.062 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 220465 (current) | 2019-10-29 | cif/ Adding structures of 4003046 via cif-deposit CGI script. |
4003046.cif |
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Users of the data should acknowledge the original authors of the
structural data.