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Information card for entry 7705194
Preview
Coordinates | 7705194.cif |
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Original paper (by DOI) | HTML |
Formula | C24 H32 Co N6 Se2 |
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Calculated formula | C24 H32 Co N6 Se2 |
SMILES | [Co]123([N]4(Cc5[n]1c(C[N]3(Cc1[n]2c(C4)ccc1)C(C)(C)C)ccc5)C(C)(C)C)(N=C=[Se])N=C=[Se] |
Title of publication | Tuning of Spin Crossover Properties in a Series of Mononuclear Cobalt(II) Complexes Based on Macrocyclic Tetradentate Ligand and Pseudohalide Coligands |
Authors of publication | Ghosh, Subrata; Selvamani, S.; Kamilya, Sujit; Mehta, Sakshi; Mondal, Abhishake |
Journal of publication | Dalton Transactions |
Year of publication | 2020 |
a | 11.725 ± 0.004 Å |
b | 14.041 ± 0.004 Å |
c | 15.673 ± 0.004 Å |
α | 90° |
β | 90.133 ± 0.014° |
γ | 90° |
Cell volume | 2580.3 ± 1.3 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.1814 |
Residual factor for significantly intense reflections | 0.0559 |
Weighted residual factors for significantly intense reflections | 0.1123 |
Weighted residual factors for all reflections included in the refinement | 0.1559 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.982 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
255417 (current) | 2020-08-18 | cif/ Adding structures of 7705192, 7705193, 7705194, 7705195, 7705196, 7705197 via cif-deposit CGI script. |
7705194.cif |
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