X-RAY CRYSTAL ANALYSIS OF SUBSTRATES OF ACONITASE .V. MAGNESIUM CITRATE DECAHYDRATE [MG(H2O)6][MGC6H5O7(H2O)]2.2H20
X-RAY CRYSTAL ANALYSIS OF SUBSTRATES OF ACONITASE .V. MAGNESIUM CITRATE DECAHYDRATE [MG(H2O)6][MGC6H5O7(H2O)]2.2H20
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DOI：
10.1107/s0365110x6500244x
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发表时间：
1965-01-01
期刊：
影响因子：
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通讯作者：
JOHNSON, CK
中科院分区：
文献类型：
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作者：
JOHNSON, CK
十水柠檬酸镁在空间群P21/n中结晶，a= 20.222, b= 6.686, c= 9.135, /~= 96.86。单元电池包含两个[Mg (H20) 6] 2+离子和四个[MgC6HsO7 (H20)]-离子。水。该结构采用多重叠加法求解。对于2725个计数器数据，基于F的最小二乘细化导致R值为0.031。每一种柠檬酸盐通过一端羧基、中心羧基和羟基氧与一个镁原子以三叉叉的方式螯合，并用剩余的羧基连接另外两个镁原子。这导致在镁原子之间有双桥接的延长螯合带。六氢镁离子柱与螯合带形成氢键。
Magnesium citrate decahydrate crystallizes in the space group P21/n with a= 20.222, b= 6.686, c= 9.135 and/~= 96.86. The unit cell contains two [Mg (H20) 6] 2+ ions and four units of [MgC6HsO7 (H20)]-. H20. The structure was solved by multiple superposition. Least-squares refinement resulted in an R value of 0.031 based on F for the 2725 counter data. Each citrate chelates to one magnesium atom in a tridentate manner through one end carboxyl group, the central carboxyl group and the hydroxyl group oxygen, and bridges two other magnesium atoms with its remaining carboxyl group. This leads to an extended chelated strip with double bridging between magnesium atoms. Columns of hexa-aquomagnesium ions are hydrogen bonded to the chelated strip.