《Table 2.Hydrogen Bonds of the Compound (and°)》
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《"Synthesis, Structure, and the Second-order Nonlinear Optical Properties of a Borate-carboxylic Acid Compound: KB[L-(-)-C4_H_4O_5]_2·H_2O"》
Symmetry codes:（i）–2–x，–1/2+y，1–z；（ii）–2–x，–1/2+y，1–z；（iii）–1+x，y，z
A colorless crystal of the title compound having approximate dimensions of 0.16mm×0.12mm×0.09mm was mounted on the top of a glass fiber.X-ray crystallographic data were collected on a Rigaku-CCD diffractometer equipped with a graphite-monochromated Mo Kαradiation（?=0.71073?）using theω-scan mode in the range of3.71≤θ≤27.47o（–7≤h≤7，–15≤k≤14，–12≤l≤12）at 293 K.A total of 5009 reflections were collected with 2893 unique ones，of which 2265（I>2σ （I）） were observed.Absorption corrections were applied using the CrystalClear program[19].The structure was solved by direct methods.The metal atoms were located from E-maps，and other nonhydrogen atoms were derived from the successive difference Fourier peaks.The organic hydrogen atoms in the[B（C4H4O5）2]-ligands were positioned geometrically，and allowed to ride on their parent Catoms.The hydrogen atoms were not displayed for clarity.The structure was refined on F2 by fullmatrix least-squares using the SHELXTL-2015 program package[20，21].The final refinement converged to R=0.0511 and w R=0.0790（w=1/[σ （17）（Fo (17）） +（0.0447P）2+0.0790P]，where P=（Fo2+2Fc2）/3) ，S=1.077，（Δρ） max=1.622 and（Δρ）min=–1.129 e/?3.A summary of the selected bond lengths and bond angles of this complex is presented in Tables 1 and 2，respectively.
| 图表编号 | XD0089882800 严禁用于非法目的 |
|---|---|
| 绘制时间 | 2019.08.01 |
| 作者 | 杨坤、杨明、雍胜利、张骁勇、罗军华 |
| 绘制单位 | Teachers College, Inner Mongolia University of Science and Technology、State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences、Teachers College, Inner Mongolia University of Science |
| 更多格式 | 高清、无水印（增值服务） |
