Information card for entry 4312843

Structure parameters

• Formula: C36 H44 I2 N8 Ru2
• Calculated formula: C36 H44 I2 N8 Ru2
• SMILES: C1(c2ccccc2)=[N](C)[Ru]234(I)N(C(c5ccccc5)=[N](C)[Ru]4(I)(N1C)([N](=C(c1ccccc1)N2C)C)N(C(c1ccccc1)=[N]3C)C)C
• 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: 12.1989 ± 0.0006 Å
• b: 17.3987 ± 0.0009 Å
• c: 19.2319 ± 0.001 Å
• α: 90°
• β: 96.478 ± 0.001°
• γ: 90°
• Cell volume: 4055.8 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.1084
• Residual factor for significantly intense reflections: 0.0553
• Weighted residual factors for significantly intense reflections: 0.1402
• Weighted residual factors for all reflections included in the refinement: 0.1693
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No