Information card for entry 7000190

Structure parameters

• Formula: C18 H30 Cl3 Cr2 N3 O6
• Calculated formula: C18 H30 Cl3 Cr2 N3 O6
• SMILES: [Cr]123([O](CC4OCC([N]5=4)(C)C)[Cr]56([O]1CC1OCC([N]3=1)(C)C)([O]2CC1OCC([N]6=1)(C)C)Cl)(Cl)Cl
• Title of publication: Synthesis, structure, magnetic and catalytic properties of new dinuclear chromium(iii) complexes with oxazoline alcoholate ligands
• Authors of publication: Jie, Suyun; Pattacini, Roberto; Rogez, Guillaume; Loose, Claudia; Kortus, Jens; Braunstein, Pierre
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 1
• Pages of publication: 97 - 105
• a: 8.7526 ± 0.0002 Å
• b: 14.4126 ± 0.0005 Å
• c: 19.5866 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2470.8 ± 0.13 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0497
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.0696
• Weighted residual factors for all reflections included in the refinement: 0.0736
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No