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Information card for entry 7213765
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Coordinates | 7213765.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | Naphthalene-TCNQ complex |
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Formula | C22 H12 N4 |
Calculated formula | C22 H12 N4 |
SMILES | c1cc2ccccc2cc1.C1(=C(C#N)C#N)C=CC(C=C1)=C(C#N)C#N |
Title of publication | Structural diversities of charge transfer organic complexes. Focus on benzenoid hydrocarbons and 7,7,8,8-tetracyanoquinodimethane |
Authors of publication | Dobrowolski, Michał A.; Garbarino, Gaston; Mezouar, Mohamed; Ciesielski, Arkadiusz; Cyrański, Michał K. |
Journal of publication | CrystEngComm |
Year of publication | 2014 |
Journal volume | 16 |
Journal issue | 3 |
Pages of publication | 415 |
a | 7.4928 ± 0.001 Å |
b | 7.8003 ± 0.001 Å |
c | 8.1026 ± 0.0011 Å |
α | 84.297 ± 0.006° |
β | 81.124 ± 0.006° |
γ | 61.343 ± 0.005° |
Cell volume | 410.4 ± 0.1 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 3 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.035 |
Residual factor for significantly intense reflections | 0.0292 |
Weighted residual factors for significantly intense reflections | 0.0795 |
Weighted residual factors for all reflections included in the refinement | 0.0833 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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