Information card for entry 4114093

Structure parameters

• Chemical name: cis-{[bis(mu-acetato)]-bis[(mu-di(p-tolyl)formamidinato)]diruthenium(II,III) chloride(p-tolylformamidine) dichloromethane solvate
• Formula: C44 H49 Cl5 N6 O4 Ru2
• Calculated formula: C44 H49 Cl5 N6 O4 Ru2
• Title of publication: Molecular Squares with Paramagnetic Diruthenium Corners: Synthetic and Crystallographic Challenges
• Authors of publication: Panagiotis Angaridis; John F. Berry; F. Albert Cotton; Carlos A. Murillo; Xiaoping Wang
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2003
• Journal volume: 125
• Pages of publication: 10327 - 10334
• a: 10.0476 ± 0.0005 Å
• b: 15.29 ± 0.0008 Å
• c: 17.8404 ± 0.0009 Å
• α: 69.177 ± 0.001°
• β: 89.916 ± 0.001°
• γ: 74.787 ± 0.001°
• Cell volume: 2459.1 ± 0.2 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0479
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.0828
• Weighted residual factors for all reflections included in the refinement: 0.0889
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No