Information card for entry 7029192

Structure parameters

• Formula: C23 H16 N4 O6 Ru2
• Calculated formula: C23 H16 N4 O6 Ru2
• SMILES: [Ru]123([Ru]4(N5c6[n]2c(c2[n]1cccc2)ccc6CCC5c1[n]4cccc1)([O]=CO3)(C#[O])C#[O])(C#[O])C#[O]
• Title of publication: An unexpected semi-hydrogenation of a ligand in the complexation of 2,7-bispyridinyl-1,8-naphthyridine with Ru3(CO)12.
• Authors of publication: Liao, Bei-Sih; Liu, Yi-Hung; Peng, Shie-Ming; Reddy, K. Rajender; Liu, Shin-Hung; Chou, Pi-Tai; Liu, Shiuh-Tzung
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 9
• Pages of publication: 3557 - 3562
• a: 9.3648 ± 0.0005 Å
• b: 15.1336 ± 0.0007 Å
• c: 16.4997 ± 0.0011 Å
• α: 90°
• β: 104.02 ± 0.006°
• γ: 90°
• Cell volume: 2268.7 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0335
• Residual factor for significantly intense reflections: 0.0277
• Weighted residual factors for significantly intense reflections: 0.0641
• Weighted residual factors for all reflections included in the refinement: 0.0679
• 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