Acta Crystallographica Section C

Crystal Structure Communications

Volume 62, Part 11 (November 2006)

metal-organic compounds

bc3016 scheme

Acta Cryst. (2006). C62, m507-m509 [ doi:10.1107/S0108270106037504 ]

Effects of d-orbital occupancy on the geometry of the trigonal-bipyramidal complexes [M^IICl₃(Hdabco)(dabco)]_n, where M is Mn, Co, Ni or Cu and dabco is 1,4-diazabicyclo[2.2.2]octane

R. G. Pritchard, M. Ali, A. Munim and A. Uddin

Abstract: Geometric data from (1-aza-4-azoniabicyclo[2.2.2]octane- [kappa] N¹)(1,4-diazabicyclo[2.2.2]octane- [kappa] N¹)trichloromanganese(II), [MnCl₃(C₆H₁₃N₂)(C₆H₁₂N₂)] or [MnCl₃(Hdabco)(dabco)] (dabco is 1,4-diazabicyclo[2.2.2]octane), and the cobalt(II) analogue, [CoCl₃(C₆H₁₃N₂)(C₆H₁₂N₂)], have been combined with previously reported data for the Ni and Cu analogues to show that bond-length trends across the isotypal series are consistent with a high-spin trigonal-bipyramidal system. As each transition metal is positioned on a D₃ site in the space group R32 (No. 155), two bond lengths fully define each trigonal-bipyramidal coordination geometry [Mn-Cl = 2.3903 (7) Å and Mn-N = 2.367 (2) Å, and Co-Cl = 2.3080 (8) Å and Co-N = 2.269 (3) Å].

Formula: [MnCl₃(C₆H₁₃N₂)(C₆H₁₂N₂)] and [CoCl₃(C₆H₁₃N₂)(C₆H₁₂N₂)]


	Structure factor file (CIF format) (24.3 kbytes) [ doi:10.1107/S0108270106037504/bc3016Isup2.hkl ] Contains datablock I

	Structure factor file (CIF format) (23.5 kbytes) [ doi:10.1107/S0108270106037504/bc3016IIsup3.hkl ] Contains datablock II

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