Source of materialA mixture of CH 3 O-H 2 ip (5-methoxyisophthalic acid, 19.3 mg, 0.1 mmol), 1,6-bih (1,6-bis(imidazol-1-yl)hexane, 21.8 mg, 0.1 mmol), Ni(OAc) 2 ·4H 2 O (24.8 mg, 0.1 mmol), and KOH (5.6 mg, 0.1 mmol) were added to water (12 mL) in a 25 mL Teflon-lined stainless steel vessel. The mixture was heated at 413 K for 3 d, and then slowly cooled down to room temperature. Green block crystals of the title compound were obtained.
Experimental detailsThe aliphatic part of the (1,6-bis(imidazol-1-yl)hexane ligand appears disordered.
DiscussionThe design and construction of metal-organic frameworks (MOFs) of paramagnetic metal ions is of interest in the field of molecular magnetism and materials chemistry due to their potential application as functional materials [1][2][3][4][5][6]. Aromatic multicarboxylate ligands, such as isophthalic acid (H 2 ip), and its derivatives which not only bind several metal centers of specific coordination geometry but also can transmit the magnetic interactions, are widely employed to construct such extended architectures [7][8][9][10]. In contrast to isophthalic acid, 5-methoxyisophthalic acid (CH 3 O-H 2 ip) not only contains two bridging carboxylate moieties but also possesses the -CH 3 O substituents, which can generate distinct complexes to those of isophthalate. On the other hand, The flexibility of multidentate flexible N-donor ligands can result not only in gauche and anti conformations in coordination, but also in free rotation to meet the requirements of the coordination geometry of the metal ions in the assembly process [11][12]. The organic ligand 1,6-bis(imidazol-1-yl)hexane (1,6-bih) is a long and flexible polyfunctional substance, which can adopt different conformations when coordinated to the central metal ions. There are two Ni(II) ions, two CH 3 O-ip, and two 1,6-bih in the asymmetric unit of the title structure ( Figure). Ni1 and Ni2 are both six-coordinated with a distorted octahedronal geometry. Four O atoms (O2, O3A, O4C and O7C for Ni1; O9D, O8E, O6 and O7 for Ni2; symmetry codes: A: -x, -y, -z+2, C: x, y+1, z, D: x, y-1, z, E: -x+1, -y+1,-z+1) from three CH 3 O-ip ligands form the equatorial plane and the apical positions are ocupied by two N atoms (N1 and N8B for Ni1, N4 and N5 for Ni2; symmetry codes: B: x-1, y, z+1) from the 1,6-bih ligand with the N1-Ni1-N8B angle of 177.34(13)°and the N4-Ni2-N5 angle of 173.81(14)°. The CH 3 O-ip acts as a m 3 -bridge linking threeNi(II) ions, in which one carboxylate group adopts a m 2 -h 1 :h 1 bridging mode to coordinate two Ni(II) ions, while the other one adopts a m 1 -h 1 :h 1 chelating mode to coordinate one Ni(II) ion. The adjacent Ni ions are bridged by CH 3 O-ip to form a 1D double chains, which contain alternate 8-and 16-membered rings with Ni···Ni distances of 4.59 and 6.95 Å for Ni1···Ni1 and 4.57 and 6.94 Å for Ni2···Ni2. Furthermore, 1,6-bih units connect these double chains into a 2D layer. From the topological perspective, the Ni(II) center and CH 3 O-ip anion can be considered as a 5-connected no...