The structure of Ni(3-amino-4,4′-bipyridine)[Ni(CN)4] (or known as Ni-BpyNH2) in powder form was determined using synchrotron X-ray diffraction and refined using the Rietveld refinement technique (R = 8.8%). The orthorhombic (Cmca) cell parameters were determined to be a = 14.7218(3) Å, b = 22.6615(3) Å, c = 12.3833(3) Å, V = 4131.29(9) Å3, and Z = 8. Ni-BpyNH2 forms a 3-D network, with a 2-D Ni(CN)4 net connecting to each other via the BpyNH2 ligands. There are two independent Ni sites on the net. The 2-D nets are connected to each other via the bonding of the pyridine “N” atom to Ni2. The Ni2 site is of six-fold coordination to N with relatively long Ni2–N distances (average of 2.118 Å) as compared to the four-fold coordinated Ni1–C distances (average of 1.850 Å). The Ni(CN)4 net is arranged in a wave-like fashion. The functional group, –NH2, is disordered and was found to be in the m-position relative to the N atom of the pyridine ring. Instead of having a unique position, N has ¼ site occupancy in each of the four m-positions. The powder reference diffraction pattern for Ni-BpyNH2 was prepared and submitted to the Powder Diffraction File (PDF) at the International Centre of Diffraction Data (ICDD).

使用同步加速器 X 射线衍射测定粉末形式的Ni(3-氨基-4,4'-联吡啶)[Ni(CN) 4 ]（或称为 Ni-BpyNH 2 ）的结构，并使用 Rietveld 精修技术进行精修（R = 8.8%）。斜方晶胞 (C mca ) 参数确定为a = 14.7218(3) Å、b = 22.6615(3) Å、c = 12.3833(3) Å、V = 4131.29(9) Å 3和Z = 8。 Ni-BpyNH 2形成3-D网络，其中2-D Ni(CN) 4网络通过BpyNH 2配体相互连接。网上有两个独立的 Ni 站点。二维网络通过吡啶“N”原子与 Ni2 的键合相互连接。 Ni2 位点与 N 具有六倍配位，与四倍配位 Ni1-C 距离（平均 1.850 Å）相比，Ni2-N 距离相对较长（平均 2.118 Å）。 Ni(CN) 4网以波浪状方式排列。官能团-NH 2是无序的并且被发现位于相对于吡啶环的N原子的间位。 N 不是具有唯一的位置，而是在四个m位置中的每一个中具有 1/4 位点占用率。制备 Ni-BpyNH 2的粉末参考衍射图并提交给国际衍射数据中心 (ICDD) 的粉末衍射文件 (PDF)。