Information card for entry 7016375

Structure parameters

• Formula: C26 H18 N4
• Calculated formula: C26 H18 N4
• SMILES: n1nc(c2ncccc2)c(c2ccccc2)c(c2ccccc2)c1c1ncccc1
• Title of publication: Substituted pyridazines as ligands in homoleptic (fac and mer) and heteroleptic Ru(ii) complexes.
• Authors of publication: Cooke, Gareth; O Máille, Gearóid M; Quesada, Roberto; Wang, Longsheng; Varughese, Sunil; Draper, Sylvia M.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 32
• Pages of publication: 8206 - 8212
• a: 10.466 ± 0.001 Å
• b: 12.174 ± 0.001 Å
• c: 15.882 ± 0.002 Å
• α: 93.674 ± 0.001°
• β: 91.256 ± 0.004°
• γ: 101.75 ± 0.001°
• Cell volume: 1975.8 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0735
• Residual factor for significantly intense reflections: 0.0534
• Weighted residual factors for significantly intense reflections: 0.1532
• Weighted residual factors for all reflections included in the refinement: 0.1723
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No