Information card for entry 4111625

Structure parameters

• Chemical name: tetrakis-[bis-(m-anisyl)-fromamidinato]-chloro-diruthenium(II,III)
• Formula: C60 H60 Cl N8 O8 Ru2
• Calculated formula: C60 H60 Cl N8 O8 Ru2
• SMILES: [Ru]1234[Ru](Cl)(N(C=[N]1c1cc(ccc1)OC)c1cc(ccc1)OC)(N(C=[N]2c1cc(ccc1)OC)c1cc(ccc1)OC)(N(C=[N]3c1cc(ccc1)OC)c1cc(ccc1)OC)N(C=[N]4c1cc(ccc1)OC)c1cc(ccc1)OC
• Title of publication: Structural and Magnetic Evidence Concerning Spin Crossover in Formamidinate Compounds with Ru25+ Cores
• Authors of publication: Panagiotis Angaridis; F. Albert Cotton; Carlos A. Murillo; Dino Villagrán; Xiaoping Wang
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• Journal volume: 127
• Pages of publication: 5008 - 5009
• a: 18.5103 ± 0.0015 Å
• b: 13.9409 ± 0.0011 Å
• c: 21.7987 ± 0.0018 Å
• α: 90°
• β: 102.39 ± 0.002°
• γ: 90°
• Cell volume: 5494.1 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0489
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.1076
• Weighted residual factors for all reflections included in the refinement: 0.1119
• Goodness-of-fit parameter for all reflections included in the refinement: 1.124
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No