Fig. 3: Schematic of NiBO and the crystal structure of NiBO-d8.
From: Haldane topological spin-1 chains in a planar metal-organic framework
a 2D schematic of NiBO showing the bonding around three Ni2+ ions within the chain. Blue arrows show intra- and inter-chain directions. b Structure of NiBO-d8 viewed down the crystallographic a-axis. Green: Ni; Red: O; Purple: N; Gray: C. Selected bond lengths and angles: Ni-O = 2.0488(10)-2.0533(9) Å, Ni-N = 2.092(5) Å. cis-ligand angles: O-Ni-O 82.53(4)-97.47(4)°, O-Ni-N 89.68(11)-90.32(11)°; trans-ligand angles: O-Ni-O 179.4(2)-179.5(2)°, N-Ni-N 180.0°. The CIF (Crystallographic Information Framework) file of the crystal structure, which has been deposited in the Cambridge Structural Database (CCDC No. 2278974), is provided as a Source Data file.