Information card for entry 4114094

Structure parameters

• Chemical name: cis-{bis(mu-acetato)-bis[mu-(para-anisylformamidinato])}diruthenium(II-III) chloride-monohydrate
• Formula: C34 H38 Cl N4 O9 Ru2
• Calculated formula: C34 H38 Cl N4 O9 Ru2
• SMILES: [Ru]1234([Ru](N(C=[N]1c1ccc(OC)cc1)c1ccc(OC)cc1)(N(C=[N]2c1ccc(OC)cc1)c1ccc(OC)cc1)([O]=C(O3)C)OC(=[O]4)C)Cl.O
• 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: 12.2674 ± 0.0009 Å
• b: 19.9635 ± 0.0014 Å
• c: 14.324 ± 0.001 Å
• α: 90°
• β: 100.386 ± 0.001°
• γ: 90°
• Cell volume: 3450.5 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0448
• Residual factor for significantly intense reflections: 0.0295
• Weighted residual factors for significantly intense reflections: 0.066
• Weighted residual factors for all reflections included in the refinement: 0.072
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No