Information card for entry 7005375

Structure parameters

• Formula: C16 H12 N2 O2
• Calculated formula: C16 H12 N2 O2
• SMILES: c1(c2c(cccc2)O)ncc(c2c(cccc2)O)nc1
• Title of publication: Non-innocent behaviour of ancillary and bridging ligands in homovalent and mixed-valent ruthenium complexes [A2Ru(?-L)RuA2]n, A = 2,4-pentanedionato or 2-phenylazopyridine, L2? = 2,5-bis(2-oxidophenyl)pyrazine
• Authors of publication: Maji, Somnath; Sarkar, Biprajit; Mobin, Shaikh M.; Fiedler, Jan; Kaim, Wolfgang; Lahiri, Goutam Kumar
• Journal of publication: Dalton Transactions
• Year of publication: 2007
• Journal issue: 23
• Pages of publication: 2411
• a: 5.966 ± 0.0007 Å
• b: 3.884 ± 0.0005 Å
• c: 26.33 ± 0.002 Å
• α: 90°
• β: 94.788 ± 0.008°
• γ: 90°
• Cell volume: 607.99 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.2034
• Residual factor for significantly intense reflections: 0.0517
• Weighted residual factors for significantly intense reflections: 0.0972
• Weighted residual factors for all reflections included in the refinement: 0.1372
• Goodness-of-fit parameter for all reflections included in the refinement: 0.983
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No