Information card for entry 7000191

Structure parameters

• Formula: C20 H40 Cl4 Cr2 N2 O6
• Calculated formula: C20 H40 Cl4 Cr2 N2 O6
• SMILES: C1(C2=[N](C(CO2)(C)C)[Cr]2([O]1[Cr]1([N]3=C(C(C)(C)[O]21)OCC3(C)C)([OH]CC)(Cl)Cl)([OH]CC)(Cl)Cl)(C)C
• 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: 19.481 ± 0.0007 Å
• b: 9.5507 ± 0.0003 Å
• c: 16.9528 ± 0.0007 Å
• α: 90°
• β: 113.479 ± 0.002°
• γ: 90°
• Cell volume: 2893.04 ± 0.19 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.054
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.0949
• Weighted residual factors for all reflections included in the refinement: 0.1022
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No