Information card for entry 4108885

Structure parameters

• Formula: C36 H44 N4 O12 Ru2
• Calculated formula: C36 H44 N4 O12 Ru2
• Title of publication: Intramolecular Valence and Spin Interaction in meso and rac Diastereomers of a p-Quinonoid-Bridged Diruthenium Complex
• Authors of publication: Doyel Kumbhakar; Biprajit Sarkar; Somnath Maji; Shaikh M. Mobin; Jan Fiedler; Francisco A. Urbanos; Reyes Jiménez-Aparicio; Wolfgang Kaim; Goutam Kumar Lahiri
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 17575 - 17583
• a: 25.485 ± 0.004 Å
• b: 25.485 ± 0.004 Å
• c: 24.7823 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 16096 ± 4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 130
• Hermann-Mauguin space group symbol: P 4/n c c :2
• Hall space group symbol: -P 4a 2ac
• Residual factor for all reflections: 0.1871
• Residual factor for significantly intense reflections: 0.0589
• Weighted residual factors for significantly intense reflections: 0.0924
• Weighted residual factors for all reflections included in the refinement: 0.1256
• Goodness-of-fit parameter for all reflections included in the refinement: 0.805
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No