“…The crystal and molecular symmetry has a twofold axis parallel to the b axis through the copper, bromine and amide nitrogen atoms. The same symmetry was observed in the [Cu(phen) 2 Cl]dca (II) (Potočňák et al, 2006) and [Cu(phen) 2 Br]ClO 4 (III) complexes (Parker et al, 1994) (the twofold axis passes through chlorine atoms of the chloride and perchlorate anions, respectively) which are isostructural to (I). Structures of other [Cu(phen) 2 Br]Y complexes are described by Murphy et al (1998).…”
Section: S1 Commentsupporting
confidence: 63%
“…Each of the two phen molecules possesses one nitrogen atom (N20) occupying an equatorial position and one nitrogen atom (N10) coordinated in an axial position. The two axial Cu1-N10 bonds are almost collinear (Table 1) and are shorter by 0.105 Å than the two equatorial Cu1-N20 bonds, which is a feature generally observed for compounds with [Cu(phen) 2 X] + cations (Murphy et al, 1998, Lu et al, 2004, Parker et al, 1994, Potočňák et al, 2005, Potočňák et al, 2008a. Aromatic rings of phen molecules are nearly planar; the largest deviation of atoms from their mean planes is 0.112 (2) Å and the bond distances and angles are normal.…”
Section: S1 Commentmentioning
confidence: 61%
“…For structures containing [Cu(phen) 2 Br] + cations, see: Murphy et al (1998); Parker et al (1994); Lu et al (2004). For pentacoordinated Cu(II) in [Cu(L) 2 dca]Y complexes [L = 1,10phenanthroline (phen) and 2,2 0 -bipyridine (bpy), Y is a monovalent anion], see: Potočň á k et al (2005, 2006, 2008a,b).…”
The title compound, [CuBr(C12H8N2)2][N(CN)2], is formed of discrete [CuBr(phen)2]+ complex cations and uncoordinated [N(CN)2]− anions (phen is 1,10-phenanthroline). The Cu atom is five-coordinated in a distorted trigonal-bipyramidal geometry by two phen molecules and one bromide ligand, which coordinates in the equatorial plane at a distance of 2.5228 (4) Å and lying along with the Cu and the amide N atoms on a twofold rotation axis. The two axial Cu—N distances [1.9926 (15) Å] are slightly shorter than the two equatorial Cu—N bonds [2.0979 (15) Å]. The structure is stabilized by a weak C—H⋯N hydrogen bond, with a cyanide N atom of the dicyanamide ligand as an acceptor, and π–π interactions between nearly parallel phenyl and pyridine rings of two adjacent phen molecules [centroid–centroid distance = 3.589 (1) Å], and between π electrons of the dicyanamide anion and the pyridine ring [N⋯Cg(pyridine) = 3.511 (3) Å; C—N⋯Cg(pyridine) = 80.2 (2)°].
“…The crystal and molecular symmetry has a twofold axis parallel to the b axis through the copper, bromine and amide nitrogen atoms. The same symmetry was observed in the [Cu(phen) 2 Cl]dca (II) (Potočňák et al, 2006) and [Cu(phen) 2 Br]ClO 4 (III) complexes (Parker et al, 1994) (the twofold axis passes through chlorine atoms of the chloride and perchlorate anions, respectively) which are isostructural to (I). Structures of other [Cu(phen) 2 Br]Y complexes are described by Murphy et al (1998).…”
Section: S1 Commentsupporting
confidence: 63%
“…Each of the two phen molecules possesses one nitrogen atom (N20) occupying an equatorial position and one nitrogen atom (N10) coordinated in an axial position. The two axial Cu1-N10 bonds are almost collinear (Table 1) and are shorter by 0.105 Å than the two equatorial Cu1-N20 bonds, which is a feature generally observed for compounds with [Cu(phen) 2 X] + cations (Murphy et al, 1998, Lu et al, 2004, Parker et al, 1994, Potočňák et al, 2005, Potočňák et al, 2008a. Aromatic rings of phen molecules are nearly planar; the largest deviation of atoms from their mean planes is 0.112 (2) Å and the bond distances and angles are normal.…”
Section: S1 Commentmentioning
confidence: 61%
“…For structures containing [Cu(phen) 2 Br] + cations, see: Murphy et al (1998); Parker et al (1994); Lu et al (2004). For pentacoordinated Cu(II) in [Cu(L) 2 dca]Y complexes [L = 1,10phenanthroline (phen) and 2,2 0 -bipyridine (bpy), Y is a monovalent anion], see: Potočň á k et al (2005, 2006, 2008a,b).…”
The title compound, [CuBr(C12H8N2)2][N(CN)2], is formed of discrete [CuBr(phen)2]+ complex cations and uncoordinated [N(CN)2]− anions (phen is 1,10-phenanthroline). The Cu atom is five-coordinated in a distorted trigonal-bipyramidal geometry by two phen molecules and one bromide ligand, which coordinates in the equatorial plane at a distance of 2.5228 (4) Å and lying along with the Cu and the amide N atoms on a twofold rotation axis. The two axial Cu—N distances [1.9926 (15) Å] are slightly shorter than the two equatorial Cu—N bonds [2.0979 (15) Å]. The structure is stabilized by a weak C—H⋯N hydrogen bond, with a cyanide N atom of the dicyanamide ligand as an acceptor, and π–π interactions between nearly parallel phenyl and pyridine rings of two adjacent phen molecules [centroid–centroid distance = 3.589 (1) Å], and between π electrons of the dicyanamide anion and the pyridine ring [N⋯Cg(pyridine) = 3.511 (3) Å; C—N⋯Cg(pyridine) = 80.2 (2)°].
“…For related literature, see: Bencini et al (1989); Boys et al (1981); Huang et al (2004); Khalaji et al (2007); Marta et al (2006); Parker et al (1994); Yu et al (2004).…”
Section: Related Literaturementioning
confidence: 99%
“…In recent years, bivalent copper complexes with 1,10-phenanthroline ligand have attracted much attention for their biochemical, optical and electromagnetic applications (Marta et al, 2006;Yu et al, 2004;Bencini et al, 1989). Many complexes have been synthesized and their structure have been reported, such as [Cu(phen) 2 Cl]ClO 4 (Boys et al, 1981) and [Cu(phen) 2 Br]ClO 4 (Parker et al, 1994) as representative examples. We report here the crystal structure of the title compound.…”
The title compound, [CuI(C12H8N2)2]ClO4, was prepared by a hydrothermal reaction at 453 K. The Cu atom has a slightly distorted trigonal–bipyramidal coordination geometry, pentacoordinated by four N atoms of two chelating 1,10‐phenanthroline ligands and one I atom. There are supramolecular π–π interactions between neighbouring parallel pyridine rings, with a face‐to‐face distance of 3.51 (1) Å.
The unique core portion of Janus head pro-ligands based on a tailored phenanthroline-bis(guanidine) architecture has been utilized to generate a multiplicity of homometallic copper(II), nickel(II) and zinc(II) complexes terminated by halide constituents. The bis-bidentate nitrogen donor ligands provide coordination sites with metal-differentiating properties which can be loaded successively starting with the phenanthroline interface as can be demonstrated by mononuclear species which form under metal deficient conditions. Furthermore, depending on both the alkylation and metalation stage of the guanidine residues comprising variants with tetramethyl-, tetraethyl-, dimethylethylene-, and dipentylene-guanidino function- [a] 5177 molecular structures, which are presented in Scheme 2, were identified by crystal structure analysis or mass spectrometry (see crystal structures and experimental section). Scheme 2. Synthesized mononuclear copper(II) (1-4) and nickel(II) (5 and 6) complexes.
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