Information card for entry 7008135

Structure parameters

• Formula: C14 H10 N4
• Calculated formula: C14 H10 N4
• SMILES: n1ccccc1c1ccc(nn1)c1ncccc1
• Title of publication: 3,6-bis(2'-pyridyl)pyridazine (L) and its deprotonated form (L - H+)- as ligands for {(acac)2Ru(n+)} or {(bpy)2Ru(m+)}: investigation of mixed valency in [{(acac)2Ru}2(mu-L - H+)]0 and [{(bpy)2Ru}2(mu-L - H+)]4+ by spectroelectrochemistry and EPR.
• Authors of publication: Ghumaan, Sandeep; Sarkar, Biprajit; Patra, Srikanta; Parimal, Kumar; van Slageren, Joris; Fiedler, Jan; Kaim, Wolfgang; Lahiri, Goutam Kumar
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2005
• Journal issue: 4
• Pages of publication: 706 - 712
• a: 5.7084 ± 0.0005 Å
• b: 6.5938 ± 0.0004 Å
• c: 15.3455 ± 0.001 Å
• α: 90°
• β: 91.693 ± 0.006°
• γ: 90°
• Cell volume: 577.35 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.0588
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for significantly intense reflections: 0.0787
• Weighted residual factors for all reflections included in the refinement: 0.0888
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.7093 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No