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Information card for entry 7221843
Preview
Coordinates | 7221843.cif |
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Original paper (by DOI) | HTML |
Chemical name | Bis(R-N-(1-naphthyl)ethylpyrrolo)tetrathiafulvalenetriiodide dichloromethane solvate 12.I3.DCM |
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Formula | C35 H28 Cl2 I3 N2 S4 |
Calculated formula | C35 H28 Cl2 I3 N2 S4 |
Title of publication | Contrasting crystal packing arrangements in triiodide salts of radical cations of chiral bis(pyrrolo[3,4-d])tetrathiafulvalenes |
Authors of publication | Martin, Lee; Yang, Songjie; Brooks, Andrew C.; Horton, Peter N.; Male, Louise; Moulfi, Ourida; Harmand, Lydie; Day, Peter; Clegg, William; Harrington, Ross W.; Wallis, John D. |
Journal of publication | CrystEngComm |
Year of publication | 2015 |
Journal volume | 17 |
Journal issue | 38 |
Pages of publication | 7354 |
a | 25.601 ± 0.002 Å |
b | 8.9169 ± 0.0005 Å |
c | 19.5945 ± 0.0012 Å |
α | 90° |
β | 123.382 ± 0.006° |
γ | 90° |
Cell volume | 3735.1 ± 0.5 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 K |
Number of distinct elements | 6 |
Space group number | 5 |
Hermann-Mauguin space group symbol | C 1 2 1 |
Hall space group symbol | C 2y |
Residual factor for all reflections | 0.0547 |
Residual factor for significantly intense reflections | 0.0495 |
Weighted residual factors for significantly intense reflections | 0.1305 |
Weighted residual factors for all reflections included in the refinement | 0.1335 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.063 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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The link is: https://www.crystallography.net/7221843.html
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