Crystal and molecular structure of the red form of bis(N,N-diethylenediamine)copper(II) perchlorate
Crystal and molecular structure of the red form of bis(N,N-diethylenediamine)copper(II) perchlorate
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红色双(N,N-二乙二胺)高氯酸铜(II)的晶体和分子结构
DOI：
10.1107/s0567740876009916
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发表时间：
1976
期刊：
影响因子：
--
通讯作者：
R. Ryan
中科院分区：
文献类型：
--
作者：
M. Andino;J. Curet;M. M. Muir;R. Ryan
红色热致变色双（N，N-二乙基乙二胺）高氯酸铜（II）的结构的调查是第一个的两个研究，以解释其46 C转变为紫色的形式。室温下晶体属三斜晶系，空间群C_（10），a= 17.868（1），B= 8.104（1），c= 10.039（1），δ，0 = 90.40（1），fl= 131.63（1），y= 90.45（2），d= 1.511 g cm ~（-3），V（晶胞）= 1086，~ 3，Z= 2.用重原子技术测定了结构。使用石墨单色化Mo K-辐射，用四圆自动衍射仪从0-20次扫描获得强度。通过全矩阵最小二乘法将1306个反射精修至R= 0.040。晶体由Cu（H2 NCH 2CH 2NEt 2）2+阳离子和CIOz阴离子组成。Cun通过N原子与两个N，N-二乙基乙二胺分子配位，产生正方形平面CuN 4化学计量。五元Cu-二胺环采用双斜构象，环C原子位于CuN 4平面上方和下方的0.322和0.329。Cu-N（一级）2.003（4），Cu-N（三级）2.060（4），NC（平均）1.485，CC（平均）1-497，&. N（1）-Cu-N（2）夹角为84.4（2）。C10~-阴离子为四面体结构，Cl ~--O距离（平均）为1-405，O-Cl-O夹角为109.4。离Cu最近的氧O（3）的距离为3.649（5）。矢量O（3）-Cu-O（Y）与CuN 4平面相交于59.5 °。
The investigation of the structure of red thermochromic bis (N, N-diethylethylenediamine) copper (II) perchlorate is the first of two studies for explaining its 46 C transition to a violet form. The crystals are triclinic at room temperature, space group C]', a= 17.868 (1), b= 8.104 (1), c= 10.039 (1), &, 0¢= 90.40 (1), fl= 131.63 (1), y= 90.45 (2), d= 1.511 g cm-3, V (unit cell)= 1086,~ 3, and Z= 2. The structure was determined by the heavy-atom technique. Intensities were obtained from 0-20 scans with a four-circle automatic diffractometer using graphite-monochromatized Mo K~ radiation. The 1306 reflections were refined to R= 0.040 by full-matrix least squares. The crystal is composed of Cu (H2NCH2CH2NEt2) 2+ cations and CIOz anions. The Cun is coordinated to two molecules of N, N-diethylethylenediamine through the N atoms resulting in a square-planar CuN4 stoichiometry. The five-membered Cu-diamine rings adopt a symmetrical-skew conformation with the ring C atoms lying 0.322 and 0.329,~ above and below the CuN4 plane. The bond distances are Cu-N (primary) 2.003 (4), Cu-N (tertiary) 2.060 (4), NC (mean) 1.485, CC (mean) 1-497, &. The N (1)-Cu-N (2) angle is 84.4 (2). The C10~ anion is tetrahedral, CI-O distance (mean) 1-405~, and O-CI-O angle 109.4. The oxygens, O (3), nearest to Cu are 3.649 (5) & away. The vector O (3)-Cu-O (Y) intersects the CuN4 plane at 59.5.