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Information card for entry 7231448
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Coordinates | 7231448.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C16 H11 N4 O |
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Calculated formula | C16 H11 N4 O |
Title of publication | Ferro- or antiferromagnetism? Heisenberg chains in the crystal structures of verdazyl radicals. |
Authors of publication | Eusterwiemann, Steffen; Doerenkamp, Carsten; Dresselhaus, Thomas; Janka, Oliver; Daniliuc, Constantin G.; Pöttgen, Rainer; Studer, Armido; Eckert, Hellmut; Neugebauer, Johannes |
Journal of publication | Physical chemistry chemical physics : PCCP |
Year of publication | 2018 |
Journal volume | 20 |
Journal issue | 35 |
Pages of publication | 22902 - 22908 |
a | 17.0182 ± 0.0006 Å |
b | 20.5047 ± 0.0007 Å |
c | 3.8678 ± 0.0001 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1349.68 ± 0.07 Å3 |
Cell temperature | 223 ± 2 K |
Ambient diffraction temperature | 223 ± 2 K |
Number of distinct elements | 4 |
Space group number | 33 |
Hermann-Mauguin space group symbol | P n a 21 |
Hall space group symbol | P 2c -2n |
Residual factor for all reflections | 0.0472 |
Residual factor for significantly intense reflections | 0.0401 |
Weighted residual factors for significantly intense reflections | 0.0925 |
Weighted residual factors for all reflections included in the refinement | 0.0974 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
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/7231448.html
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