A Chain of Changes:  Influence of Noncovalent Interactions on the One-Dimensional Structures of Nickel(II) Dicarboxylate Coordination Polymers with Chelating Aromatic Amine Ligands YongBok Go Xiqu Wang Ekaterina V. Anokhina Allan J. Jacobson 10.1021/ic049341u.s001 https://acs.figshare.com/articles/dataset/A_Chain_of_Changes_Influence_of_Noncovalent_Interactions_on_the_One_Dimensional_Structures_of_Nickel_II_Dicarboxylate_Coordination_Polymers_with_Chelating_Aromatic_Amine_Ligands/3327688 Five one-dimensional coordination polymers, Ni(BDC)(1,10-phen) (<b>1</b>), Ni(BDC)(2,2‘-bipy)·0.75H<sub>2</sub>BDC (<b>2</b>), Ni(BDC)(1,10-phen)(H<sub>2</sub>O) (<b>3</b>), Ni(BDC)(1,10-phen)(H<sub>2</sub>O)·0.5H<sub>2</sub>BDC (<b>4</b>) and Ni(BDC)(2,2‘-bipy)(H<sub>2</sub>O) (<b>5</b>) [where BDC = 1,4-benzenedicarboxylate, 2,2-bipy = 2,2‘-bipyridine, and 1,10-phen = 1,10-phenanthroline] that have the same topology but markedly different geometry and packing of the chains have been synthesized by hydrothermal reactions. The results of variations of synthesis conditions and substitutions of 1,10-phenanthroline with 2,2‘-bipyridine indicate that incorporation of the coordinating water molecule, which affects the degree of bending of the chain, is primarily influenced by the amine ligand size, suggesting a substantial structural role of aromatic−aromatic interactions and amine ligand steric effects. The incorporation of the guest H<sub>2</sub>BDC molecules was found to be favored by lower pH conditions. Crystal data:  <b>1</b>, monoclinic, space group <i>P</i>2<sub>1</sub>/<i>n</i>, <i>a</i> = 9.5589(6) Å, <i>b</i> = 12.6776(8) Å, <i>c</i> = 13.5121(9) Å, β = 95.437(1)°, <i>Z</i> = 4; <b>2</b>, monoclinic, space group <i>P</i>2<sub>1</sub>/<i>c</i>, <i>a</i> = 20.532(3) Å, <i>b</i> = 21.505(3) Å, <i>c</i> = 18.872(3) Å, β = 93.86(1)°, <i>Z</i> = 16; <b>3</b>, triclinic, space group <i>P</i>1̄, <i>a</i> = 8.618(3) Å, <i>b</i> = 10.058(4) Å, <i>c</i> = 11.353(4) Å, α = 115.31(1)°, β = 92.33(1)°, γ = 94.03(1)°, <i>Z</i> = 2; <b>4</b>, triclinic, space group <i>P</i>1̄, <i>a</i> = 9.7682(12) Å, <i>b</i> = 10.6490(13) Å, <i>c</i> = 11.2468(14) Å, α = 76.685(2)°, β = 65.309(2)°, γ = 85.612(2)°, <i>Z</i> = 2; <b>5</b>, monoclinic, space group <i>P</i>2<sub>1</sub>/<i>c</i>, <i>a</i> = 13.9683(9) Å, <i>b</i> = 17.4489(11) Å, <i>c</i> = 13.7737(9) Å, β = 99.12(1)°, <i>Z</i> = 8. 2004-08-23 00:00:00 phenanthroline amine ligand steric effects Chelating Aromatic Amine Ligands Noncovalent Interactions amine ligand size bipyridine hydrothermal reactions synthesis conditions Ni guest H 2 BDC molecules incorporation triclinic coordination polymers water molecule pH conditions