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四(2,4,6-三氨基-1,3,5-三嗪鎓)三(吡啶-2,6-二羧酸根)钙(II)六水合物

Tetra-kis(2,4,6-triamino-1,3,5-triazin-1-ium) tris-(pyridine-2,6-dicarboxyl-ato)calcate(II) hexa-hydrate.

作者信息

Aghabozorg Hossein, Daneshvar Shirin, Nemati Andya

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2008 Jul 26;64(Pt 8):m1063-4. doi: 10.1107/S1600536808022873.

Abstract

The title compound, (C(3)H(7)N(6))(4)[Ca(C(7)H(3)NO(4))(3)]·6H(2)O or (tataH)(4)[Ca(pydc)(3)]·6H(2)O (where tata is 2,4,6-triamino-1,3,5-triazine and pydcH(2) is pyridine-2,6-dicarboxylic acid), was obtained by reaction of Ca(NO(3))(2)·4H(2)O with the proton-transfer compound (tataH)(2)(pydc) in aqueous solution. The Ca(pydc)(3) anion has twofold crystallographic symmetry. It is a nine-coordinate Ca(II) complex with a distorted tricapped trigonal-prismatic coordination geometry. The structure also contains four tataH(+) cations and six uncoordinated water mol-ecules. There are extensive O-H⋯O, O-H⋯N, N-H⋯O, N-H⋯N and C-H⋯O hydrogen bonds in the crystal structure.

摘要

标题化合物(C(3)H(7)N(6))(4)[Ca(C(7)H(3)NO(4))(3)]·6H(2)O 或 (tataH)(4)[Ca(pydc)(3)]·6H(2)O(其中 tata 为 2,4,6 - 三氨基 - 1,3,5 - 三嗪,pydcH(2) 为吡啶 - 2,6 - 二羧酸)是通过 Ca(NO(3))(2)·4H(2)O 与质子转移化合物 (tataH)(2)(pydc) 在水溶液中反应得到的。[Ca(pydc)(3)](4 - )阴离子具有二重晶体学对称性。它是一个九配位的 Ca(II)配合物,具有扭曲的三帽三角棱柱配位几何构型。该结构还包含四个 tataH(+)阳离子和六个未配位的水分子。晶体结构中存在广泛的 O - H⋯O、O - H⋯N、N - H⋯O、N - H⋯N 和 C - H⋯O 氢键。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2abf/2961976/25ab9bd5611e/e-64-m1063-fig1.jpg

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