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Information card for entry 7709729
Preview
| Coordinates | 7709729.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C68 H68 B2 Fe4 N26 O2 P2 S2 |
|---|---|
| Calculated formula | C68 H68 B2 Fe4 N26 O2 P2 S2 |
| Title of publication | Manipulating the spin crossover behaviour in a series of cyanide-bridged {FeIII2FeII2} molecular squares through NCE- co-ligands |
| Authors of publication | You, Maolin; Nguyen, Giang Truong; Shao, Dong; Wang, Te; Chang, Xiaoyong; Ungur, Liviu; Zhang, Yuan-Zhu |
| Journal of publication | Dalton Transactions |
| Year of publication | 2022 |
| a | 28.476 ± 0.003 Å |
| b | 47.057 ± 0.004 Å |
| c | 13.3974 ± 0.0014 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 17952 ± 3 Å3 |
| Cell temperature | 101 ± 2 K |
| Ambient diffraction temperature | 101 K |
| Number of distinct elements | 8 |
| Space group number | 43 |
| Hermann-Mauguin space group symbol | F d d 2 |
| Hall space group symbol | F 2 -2d |
| Residual factor for all reflections | 0.0296 |
| Residual factor for significantly intense reflections | 0.028 |
| Weighted residual factors for significantly intense reflections | 0.0687 |
| Weighted residual factors for all reflections included in the refinement | 0.0697 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.01 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 273628 (current) | 2022-03-11 | cif/ Adding structures of 7709724, 7709725, 7709726, 7709727, 7709728, 7709729 via cif-deposit CGI script. |
7709729.cif |
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Users of the data should acknowledge the original authors of the
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