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首页> 外文期刊>Acta Crystallographica, Section B. Structural Science >Disordered structure of polymeric bismuth tribenzoate, [Bi(C6H5COO)(3)](n)
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Disordered structure of polymeric bismuth tribenzoate, [Bi(C6H5COO)(3)](n)

机译：聚合物三苯甲酸铋[Bi（C6H5COO）（3）]（n）的无序结构

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摘要

Bismuth tribenzoate, Bi(C6H5COO)(3), was prepared by Ligand exchange of bismuth triacetate with A 1.1 disordered structure of P2(1)/m symmetry, a = 7.858 (3), b = 14.442 (2), c=16.807 (3) Angstrom, beta = 92.26 (2)degrees, V = 1906(1) Angstrom(3), Z = 4, consists of polymeric chains parallel to the a axis and can be related to an ideally ordered structure of B2(1)/a symmetry with a' = 2a. b' = b and c' = 2c. This B-centred structure can itself be described as a modulation of an idealized parent structure of Pnma symmetry. The disorder is rationalized in terms of the pseudo-symmetry that relates the two formula units of Bi(C6H5COO)(3) in the asymmetric unit of B2(1)/a. In the polymeric chain each Bi atom is nominally nine-coordinate, with widely varying bond lengths arranged in a very asymmetric manner. The polymeric chain is created by each bismuth being chelated to three benzoate ligands. Each such ligand also has one of its O atoms bridging an adjacent Bi atom so that three bridging O atoms link adjacent bismuths. Apparent valences are consistent with expected values for all Bi and O atoms. A final value of 0.0454 was obtained for R(F) using the 1813 independent reflections (out of 2839) with I(h) > 3 sigma[I(h)] to refine 185 parameters describing 56 non-H atoms. [References: 17]
机译：三苯甲酸铋Bi（C6H5COO）（3）通过三乙酸铋的配体交换制备，具有1.1 P2（1）/ m对称性的无序结构，a = 7.858（3），b = 14.442（2），c = 16.807 （3）埃，贝塔= 92.26（2）度，V = 1906（1）埃（3），Z = 4，由与a轴平行的聚合物链组成，可以与B2（1）的理想有序结构有关）/ a'= 2a的对称性。 b'= b，c'= 2c。这种以B为中心的结构本身可以描述为Pnma对称性理想母体结构的调制。根据伪对称性合理化了这种无序，该伪对称性将Bi（C6H5COO）（3）的两个公式单元关联为B2（1）/ a的不对称单元。在聚合物链中，每个Bi原子名义上都是9坐标的，且键长变化非常不对称。通过将每个铋与三个苯甲酸酯配体螯合来创建聚合物链。每个这样的配体还具有一个桥接相邻的Bi原子的O原子，从而三个桥接的O原子连接相邻的铋。表观价与所有Bi和O原子的预期值一致。使用I（h）> 3 sigma [I（h）]的1813次独立反射（在2839次中）获得R（F）的最终值0.0454，以细化185个描述56个非H原子的参数。 [参考：17]

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