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Information card for entry 4109781
Preview
Coordinates | 4109781.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C38 H56 Cl4 N4 O8 |
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Calculated formula | C38 H56 Cl4 N4 O8 |
Title of publication | Conformationally Constrained, Stable, Triplet Ground State (S=1) Nitroxide Diradicals. Antiferromagnetic Chains of S=1 Diradicals |
Authors of publication | Andrzej Rajca; Masahiro Takahashi; Maren Pink; Gaëlle Spagnol; Suchada Rajca |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2007 |
Journal volume | 129 |
Pages of publication | 10159 - 10170 |
a | 25.4534 ± 0.0011 Å |
b | 12.5714 ± 0.0006 Å |
c | 17.357 ± 0.0008 Å |
α | 90° |
β | 131.308 ± 0.001° |
γ | 90° |
Cell volume | 4172 ± 0.3 Å3 |
Cell temperature | 130 ± 2 K |
Ambient diffraction temperature | 130 ± 2 K |
Number of distinct elements | 5 |
Space group number | 5 |
Hermann-Mauguin space group symbol | C 1 2 1 |
Hall space group symbol | C 2y |
Residual factor for all reflections | 0.0625 |
Residual factor for significantly intense reflections | 0.057 |
Weighted residual factors for significantly intense reflections | 0.1617 |
Weighted residual factors for all reflections included in the refinement | 0.1699 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4109781.html
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