Information card for entry 7016371

Structure parameters

• Formula: C18 H12 N6
• Calculated formula: C18 H12 N6
• SMILES: n1nc(c2ncccc2)c(c2cncnc2)cc1c1ncccc1
• 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: 11.0611 ± 0.0006 Å
• b: 18.2383 ± 0.001 Å
• c: 7.349 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1482.56 ± 0.14 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.028
• Residual factor for significantly intense reflections: 0.0271
• Weighted residual factors for significantly intense reflections: 0.08
• Weighted residual factors for all reflections included in the refinement: 0.0839
• Goodness-of-fit parameter for all reflections included in the refinement: 0.879
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No