10.6084/m9.figshare.5679130.v1
Corey L. Jones
Corey L.
Jones
Elizabeth A. Marsden
Elizabeth A.
Marsden
Adam C. Nevin
Adam C.
Nevin
Benson M. Kariuki
Benson M.
Kariuki
Mohan M. Bhadbhade
Mohan M.
Bhadbhade
Adam D. Martin
Adam D.
Martin
Timothy L. Easun
Timothy L.
Easun
Cu3L2.cif from Investigating the geometrical preferences of a flexible benzimidazolone-based linker in the synthesis of coordination polymers
The Royal Society
2017
coordination polymer
coordination network
metal–organic framework
crystallization
flexible linker
2017-12-07 15:36:15
Dataset
https://rs.figshare.com/articles/dataset/Cu3L2_cif_from_Investigating_the_geometrical_preferences_of_a_flexible_benzimidazolone-based_linker_in_the_synthesis_of_coordination_polymers/5679130
A series of new group 2 coordination polymers, <b>MgL</b> = {MgL(H<sub>2</sub>O)(DMF)<sub>0.75</sub>}<sub>∞</sub>, <b>CaL</b> = {CaL(DMF)<sub>2</sub>}<sub>∞</sub>, <b>SrL</b> = {SrL(H<sub>2</sub>O)<sub>0.5</sub>}<sub>∞</sub> and <b>BaL</b> = {BaL(H<sub>2</sub>O)<sub>0.5</sub>}<sub>∞</sub>, were synthesized using a flexible benzimidazolone diacetic acid linker (<b>L</b>) in which the two carboxylic acid binding sites are connected to a planar core via {–CH<sub>2</sub>–} spacers that can freely rotate in solution. In a ‘curiosity-led' diversion from group 2 metals, the first row transition metal salts Mn<sup>2+</sup>, Cu<sup>2+</sup> and Zn<sup>2+</sup> were also reacted with <b>L</b> to yield crystals of <b>MnL =</b> {MnL(DMF)(H<sub>2</sub>O)<sub>3.33</sub>}<sub>∞</sub>, <b>Cu<sub>3</sub>L<sub>2</sub></b> = {Cu<sub>3</sub>L<sub>2</sub>(DMF)<sub>2</sub>(CHO<sub>2</sub>)<sub>2</sub>}<sub>∞</sub> and <b>ZnL</b> = {ZnL(DMF)}<sub>∞</sub>. Crystal structures were obtained for all seven materials. All structures form as two-dimensional sheets and, with the exception of <b>ZnL,</b> which displays tetrahedrally coordinated metal centres, and <b>Cu<sub>3</sub>L<sub>2,</sub></b> which contains square planar coordinated metal centres and Cu paddle wheels, contain six-coordinate metal centres. In each structure, the linker adopts one of two distinct conformations, with the carboxylate groups either <i>cis</i> or <i>trans</i> to each other with respect to the plane of the core. All materials were also characterized by powder X-ray diffraction and thermogravimetric analysis.