Information card for entry 4332146

Structure parameters

• Formula: C37 H25 N6 O4 Ru2
• Calculated formula: C37 H25 N6 O4 Ru2
• SMILES: [Ru]123([Ru]4(C#[O])([n]5c6[n]2c(c2n1ccc2)ccc6ccc5)([n]1c2[n]3cccc2ccc1c1n4ccc1)C#[O])(C#[O])C#[O].c1ccccc1.c1ccccc1
• Title of publication: Effects of Axial Coordination on the Ru−Ru Single Bond in Diruthenium Paddlewheel Complexes
• Authors of publication: Patra, Sanjib K.; Sadhukhan, Nabanita; Bera, Jitendra K.
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 10
• Pages of publication: 4007 - 4015
• a: 11.302 ± 0.002 Å
• b: 16.654 ± 0.003 Å
• c: 17.177 ± 0.003 Å
• α: 85.69 ± 0.03°
• β: 85.53 ± 0.03°
• γ: 86.1 ± 0.03°
• Cell volume: 3207.9 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0666
• Residual factor for significantly intense reflections: 0.0565
• Weighted residual factors for significantly intense reflections: 0.1418
• Weighted residual factors for all reflections included in the refinement: 0.1488
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No