Information card for entry 7104931

Structure parameters

• Formula: C20 H24 Cl4 N6 Zn2
• Calculated formula: C20 H24 Cl4 N6 Zn2
• SMILES: c12C=[N](CC[N]3=Cc4cccc([n]4[Zn]3(Cl)Cl)C)[Zn](Cl)(Cl)[n]2c(ccc1)C.C(#N)C.C(#N)C
• Title of publication: Redox-noninnocence of N,N'-bis(6-methyl-2-pyridylmethylene)ethane-1,2-diamine (L): synthesis and characterization of diamagnetic [Ni(II)2(L**)2] and [Zn(II)2(L)Cl4]((L**)2- pi diradical dianion of L).
• Authors of publication: Mondal, Amrita; Weyhermüller, Thomas; Wieghardt, Karl
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal issue: 40
• Pages of publication: 6098 - 6100
• a: 7.3895 ± 0.0006 Å
• b: 9.3625 ± 0.0008 Å
• c: 9.7615 ± 0.0008 Å
• α: 108.033 ± 0.001°
• β: 91.891 ± 0.001°
• γ: 93.184 ± 0.001°
• Cell volume: 640.28 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0275
• Residual factor for significantly intense reflections: 0.0229
• Weighted residual factors for significantly intense reflections: 0.0609
• Weighted residual factors for all reflections included in the refinement: 0.0629
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No