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Information card for entry 7234432
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Coordinates | 7234432.cif |
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Original paper (by DOI) | HTML |
Common name | Co(pyterpy)2(TCNQ)2_DMF_MeOH |
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Chemical name | Cobalt(II) bis-(4?-(4???-pyridyl)- 2,2?:6?,2??-terpyridine) tetracyanoquinodimethane N,N-dimethyl formamide methanol |
Formula | C67.61 H43 Co N17 O1.25 |
Calculated formula | C67.61 H43 Co N17 O1.249 |
Title of publication | Structural distortions of the spin-crossover material [Co(pyterpy)2](TCNQ)2 mediated by supramolecular interactions |
Authors of publication | Xuan Zhang; Haomiao Xie; Maria Ballesteros-Rivas; Zhao-Xi Wang; Kim R. Dunbar |
Journal of publication | Journal of Materials Chemistry C |
Year of publication | 2015 |
Journal volume | 3 |
Pages of publication | 9292 - 9298 |
a | 8.986 ± 0.004 Å |
b | 13.909 ± 0.006 Å |
c | 24.825 ± 0.011 Å |
α | 105.759 ± 0.006° |
β | 95.448 ± 0.006° |
γ | 94.088 ± 0.006° |
Cell volume | 2957 ± 2 Å3 |
Cell temperature | 300.15 K |
Ambient diffraction temperature | 300.15 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 | 0.0871 |
Residual factor for significantly intense reflections | 0.0475 |
Weighted residual factors for significantly intense reflections | 0.1011 |
Weighted residual factors for all reflections included in the refinement | 0.1195 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
219132 (current) | 2019-10-07 | cif/ Adding structures of 7234425, 7234426, 7234427, 7234428, 7234429, 7234430, 7234431, 7234432, 7234433 via cif-deposit CGI script. |
7234432.cif |
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Users of the data should acknowledge the original authors of the
structural data.