Information card for entry 1551499

Structure parameters

• Formula: C20 H20.5 Cl3 Cr N4 O4.25
• Calculated formula: C20 H20.5 Cl3 Cr N4 O4.25
• Title of publication: Formation of the layered conductive magnet CrCl2(pyrazine)2 through redox-active coordination chemistry
• Authors of publication: Kasper S. Pedersen; Panagiota Perlepe; Michael L. Aubrey; Daniel N. Woodruff; Sebastian E. Reyes-Lillo; Anders Reinholdt; Laura Voigt; Zheshen Li; Kasper Borup; Mathieu Rouzieres; Dumitru Samohvalov; Fabrice Wilhelm; Andrei Rogalev; Jeffrey B. Neaton; Jeffrey R. Long; Rodolphe Clerac
• Journal of publication: Nature Chemistry
• Year of publication: 2018
• Journal volume: 10
• Pages of publication: 1056 - 1061
• a: 13.4559 ± 0.0003 Å
• b: 15.142 ± 0.0004 Å
• c: 23.1601 ± 0.0006 Å
• α: 90°
• β: 93.2 ± 0.001°
• γ: 90°
• Cell volume: 4711.5 ± 0.2 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0332
• Residual factor for significantly intense reflections: 0.0317
• Weighted residual factors for significantly intense reflections: 0.0812
• Weighted residual factors for all reflections included in the refinement: 0.0825
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No