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Crystal data for Co(dmetgH)2(Py)2 (from DCM and methanol; CCDC 251399, C50H56CoN6O 4, Mr, 863.94; monoclinic; space group 12/a; a, 12.128(2, b, 31.999(9, c, 12.130(2) Å; β= 98.012(15)°; V, 4662(3) Å3: Z, 4; ρ, 1.231 g cm-3; T, 293(2) K; reflections measured/unique 3213/3046; final R, 0.0621 (Rw, 0.1260, Enraf-Nonius CAD4 Mach2 instrument using θ-26 scan. Crystal data for 4-CN-C6H4CH2(O 2)Co(dmestgH)2Py·C6H6· 2CH3CN (from DCM, acetonitrile and benzene; CCDC 607226, C 63H69CoN8O6, Mr, 1093.19; triclinic; space group P1̄; a, 14.2170(11, b, 14.3381(11, c, 16.6229(13) Å; α, 112.3520(10, β= 95.690010, γ, 111.594
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w = 0.1041); Bruker CCD Detector using φ-ω scan.
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34249951682
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4 plane; the butterfly bending angle α is the dihedral angle between two dioxime planes, and τ is the torsion angle between two planes, the axial base pyridine and the plane that bisects the dioxime C-C bonds through the cobalt atom. Positive signs for α and d indicate bending toward R and displacement toward base and vice versa.
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4 plane; the butterfly bending angle α is the dihedral angle between two dioxime planes, and τ is the torsion angle between two planes, the axial base pyridine and the plane that bisects the dioxime C-C bonds through the cobalt atom. Positive signs for α and d indicate bending toward R and displacement toward base and vice versa.
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