Structure of hexaaquacopper(II) bromate.
Structure of hexaaquacopper(II) bromate.
复制标题
溴酸六水铜(II) 的结构。
DOI：
10.1107/s0108270191005048
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发表时间：
1991
期刊：
影响因子：
--
通讯作者：
Gerkin,RE
中科院分区：
文献类型：
--
作者：
Blackburn,AC;Gallucci,JC;Gerkin,RE
[Cu (H20) 6](BrO3) 2, M,= 427" 44, cubic, Pa-3, a= 10.3240 (6) A, V= 1100.38 (4) A3, Z= 4, Dx= 2" 580gcm-3, A (MoK~)= 0.71073 A,/~= 92.32 cm-l, F (000)= 828, T= 296 K, R= 0.038 for 336 unique reflections having I> trz. The single type of copper ion (site symmetry 3) is coordinated by six water-molecule O atoms, each at an observed dis-tance of 2-079 (4) A, in an array which is virtually regular octahedral, the nominal 90 angles measuring 89.95 (15) and 90.05 (15). Thus, this is not a typical Cu" complex in which (consistent with a static Jahn-Teller effect) a distorted octahedral array displays'(2+ 2+ 2)'coordination; rather, it is the sixth strict example of a CuII static structure inconsistent with the Jahn-Teller theorem. The presence of a dynamic Jahn-Teller effect is supported by the data. The single type of bromate ion has an observed Br---O bond length 1.649 (3) A and O--Br--O bond angle 104.17 (15). The bromate ion was found to manifest rigid-body behavior but, consistent with a dynamic Jahn-Teller effect, the copper-oxygen complex did not. The Br---O bond length corrected for rigid-body motion is 1.663 A. Refinement of the positional parameters of the two inequivalent H atoms permit-ted a detailed analysis of hydrogen bonding, which occurs principally between the oxygen octahedra and the bromate groups. This structure is isomorphic with those of hexaaquanickel (II) chlorate, hexa-aquacobalt (II) bromate and hexaaquanickel (II) bro-
