Information card for entry 7042922

Structure parameters

• Formula: C24 H20 Cl2 Cr2 N4 O6
• Calculated formula: C24 H20 Cl2 Cr2 N4 O6
• SMILES: c1cccc2C[O]3[Cr]4([n]12)([n]1c(cccc1)C(=O)O4)(Cl)[O]1Cc2cccc[n]2[Cr]231([n]1ccccc1C(=O)O2)Cl
• 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: 7.81306 ± 0.0001 Å
• b: 12.1722 ± 0.00015 Å
• c: 13.10384 ± 0.00016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1246.2 ± 0.03 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 6
• Space group number: 34
• Hermann-Mauguin space group symbol: P n n 2
• Hall space group symbol: P 2 -2n
• Residual factor for all reflections: 0.0225
• Residual factor for significantly intense reflections: 0.0215
• Weighted residual factors for significantly intense reflections: 0.0522
• Weighted residual factors for all reflections included in the refinement: 0.0528
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No