Information card for entry 4312840

Structure parameters

• Formula: C42 H56 N10 O2 Ru2
• Calculated formula: C42 H56 N10 O2 Ru2
• SMILES: OCC.C(#N)[Ru]1234[N](=C(c5ccccc5)N(C)[Ru]4(C#N)([N](=C(c4ccccc4)N2C)C)(N(C(=[N]1C)c1ccccc1)C)[N](=C(N3C)c1ccccc1)C)C.OCC
• Title of publication: Synthesis and Characterization of Ru2(DMBA)4X2 (X = CN, N3, N(CN)2, I): Controlling Structural, Redox, and Magnetic Properties with Axial Ligands
• Authors of publication: Wei-Zhong Chen; Tong Ren
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 8847 - 8852
• a: 18.005 ± 0.005 Å
• b: 13.995 ± 0.004 Å
• c: 18.665 ± 0.006 Å
• α: 90°
• β: 104.802 ± 0.005°
• γ: 90°
• Cell volume: 4547 ± 2 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0692
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.1012
• Weighted residual factors for all reflections included in the refinement: 0.1052
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No