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Information card for entry 2105743
Preview
Coordinates | 2105743.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | RbDDQx2H2O |
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Formula | C8 H4 Cl2 N2 O4 Rb |
Calculated formula | C8 H4 Cl2 N2 O4 Rb |
SMILES | [Rb+].ClC1=C(Cl)C(=O)C(=C(C1=O)C#N)C#N.O.O |
Title of publication | Spin-coupling in dimers of 2,3-dicyano-5,6-dichlorosemiquinone radical anions in the crystalline state |
Authors of publication | Molčanov, Krešimir; Babić, Darko; Kojić-Prodić, Biserka; Stare, Jernej; Maltar-Strmečki, Nadica; Androš, Lidija |
Journal of publication | Acta Crystallographica Section B |
Year of publication | 2014 |
Journal volume | 70 |
Journal issue | 1 |
Pages of publication | 181 - 190 |
a | 6.4217 ± 0.0002 Å |
b | 18.0295 ± 0.0006 Å |
c | 9.574 ± 0.0002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1108.48 ± 0.06 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 K |
Number of distinct elements | 6 |
Space group number | 18 |
Hermann-Mauguin space group symbol | P 21 21 2 |
Hall space group symbol | P 2 2ab |
Residual factor for all reflections | 0.0428 |
Residual factor for significantly intense reflections | 0.0413 |
Weighted residual factors for significantly intense reflections | 0.1168 |
Weighted residual factors for all reflections included in the refinement | 0.1182 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.12 |
Diffraction radiation wavelength | 1.5418 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/2105743.html
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