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Information card for entry 4132412
Preview
Coordinates | 4132412.cif |
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Original paper (by DOI) | HTML |
Formula | C94 H81 B8 F32 N35 Zn4 |
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Calculated formula | C94 H81 B8 F32 N35 Zn4 |
Title of publication | Spin State Chemistry: Modulation of Ligand p K<sub>a</sub> by Spin State Switching in a [2×2] Iron(II) Grid-Type Complex. |
Authors of publication | Dhers, Sébastien; Mondal, Abhishake; Aguilà, David; Ramírez, Juan; Vela, Sergi; Dechambenoit, Pierre; Rouzières, Mathieu; Nitschke, Jonathan R.; Clérac, Rodolphe; Lehn, Jean-Marie |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2018 |
Journal volume | 140 |
Journal issue | 26 |
Pages of publication | 8218 - 8227 |
a | 19.5838 ± 0.0005 Å |
b | 35.646 ± 0.001 Å |
c | 18.5501 ± 0.0005 Å |
α | 90° |
β | 110.798 ± 0.002° |
γ | 90° |
Cell volume | 12105.7 ± 0.6 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.1458 |
Residual factor for significantly intense reflections | 0.1211 |
Weighted residual factors for significantly intense reflections | 0.2573 |
Weighted residual factors for all reflections included in the refinement | 0.2674 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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The link is: https://www.crystallography.net/4132412.html
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