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Information card for entry 4510150
Preview
Coordinates | 4510150.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C42 H40 F2 Fe2 N4 |
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Calculated formula | C42 H40 F2 Fe2 N4 |
SMILES | [c]12([cH]3[cH]4[cH]5[cH]1[Fe]16782345[c]2([cH]1[cH]6[cH]7[cH]82)CC(C)(C)C)[c]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[c]2([cH]8[cH]7[cH]6[cH]12)CC(C)(C)C.c1(=C(C#N)C#N)C(=CC(=C(C#N)C#N)C(=C1)F)F |
Title of publication | Charge-Transfer Salts of Biferrocene Derivatives with F2- and F4-Tetracyanoquinodimethane: Correlation Between Donor‒Acceptor Ratios and Cation Valence States |
Authors of publication | Mochida, Tomoyuki; Funasako, Yusuke; Nagabuchi, Eri; Mori, Hatsumi |
Journal of publication | Crystal Growth & Design |
Year of publication | 2014 |
Journal volume | 14 |
Journal issue | 3 |
Pages of publication | 1459 |
a | 12.0515 ± 0.0007 Å |
b | 12.685 ± 0.0008 Å |
c | 14.0055 ± 0.0008 Å |
α | 99.383 ± 0.001° |
β | 112.387 ± 0.001° |
γ | 102.404 ± 0.001° |
Cell volume | 1861.07 ± 0.19 Å3 |
Cell temperature | 298 K |
Ambient diffraction temperature | 298 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0533 |
Residual factor for significantly intense reflections | 0.0446 |
Weighted residual factors for significantly intense reflections | 0.1344 |
Weighted residual factors for all reflections included in the refinement | 0.1438 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.023 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4510150.html
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Users of the data should acknowledge the original authors of the
structural data.