Information card for entry 7042925

Structure parameters

• Formula: C18 H26 Cl4 Cr2 N4 O4
• Calculated formula: C18 H26 Cl4 Cr2 N4 O4
• SMILES: c1[n]2c(ccc1)CC[O]1[Cr]2([OH2])(Cl)(Cl)[O]2CCc3cccc[n]3[Cr]12([OH2])(Cl)Cl.C(#N)C.C(#N)C
• Title of publication: Magneto-structural correlations in a family of dialkoxo bridged chromium dimers
• Authors of publication: Brechin, Euan K.; Fraser, Hector; Nichol, Gary Stephen; Velmurugan, Gunasekaran; Rajaraman, Gopalan
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 8.2906 ± 0.0003 Å
• b: 8.5467 ± 0.0003 Å
• c: 10.1679 ± 0.0004 Å
• α: 112.4 ± 0.004°
• β: 101.243 ± 0.003°
• γ: 102.099 ± 0.003°
• Cell volume: 620.48 ± 0.05 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0488
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.1262
• Weighted residual factors for all reflections included in the refinement: 0.1287
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No