Blackburn A C, Gallucci J C, Gerkin R E
Department of Chemistry, Ohio State University, Columbus 43210.
Acta Crystallogr B. 1990 Dec 1;46 ( Pt 6):712-6. doi: 10.1107/s0108768190007145.
Co(H2O)62, Mr = 422.83, cubic, Pa-3, a = 10.3505 (7) A, V = 1108.88 (8) A3, Z = 4, Dx = 2.53 g cm-3, lambda(Mo K-alpha) = 0.71069 A, mu = 87.31 cm-1, F(000) = 820, T = 296 K, R = 0.027 for 365 unique reflections having I greater than sigma I. The single type of Co ion is coordinated by six water-molecule O atoms, each at an observed distance 2.095 (2) A, in an array which is regular octahedral within the estimated standard deviations of the relevant angles. The single type of bromate ion has a Br-O bond length 1.653 (2) A and O-Br-O bond angle 104.07 (9) degrees. The cobalt-oxygen complex manifested rigid-body behavior, but the bromate ion did not. The cobalt-oxygen distance corrected for rigid-body motion is 2.099 A. Location and refinement of the two inequivalent H atoms permitted detailed analysis of the hydrogen bonding, which occurs principally between the oxygen octahedra and the bromate groups. This structure is isomorphic to that of hexa-aquanickel(II) chlorate recently reported from this laboratory.
[六水合钴（Ⅱ）溴酸盐]，Mr = 422.83，立方晶系，Pa-3空间群，a = 10.3505（7）埃，V = 1108.88（8）埃³，Z = 4，Dx = 2.53克/厘米³，λ（Mo K-α） = 0.71069埃，μ = 87.31厘米⁻¹，F(000) = 820，T = 296K，对于365个I大于σI的独立反射，R = 0.027。单一类型的钴离子由六个水分子的氧原子配位，每个氧原子的观测距离为2.095（2）埃，在相关角度的估计标准偏差范围内形成规则八面体阵列。单一类型的溴酸根离子的Br - O键长为1.653（2）埃，O - Br - O键角为104.07（9）度。钴 - 氧配合物表现出刚体行为，但溴酸根离子没有。经刚体运动校正后的钴 - 氧距离为2.099埃。两个不等价氢原子的定位和精修使得能够对氢键进行详细分析，氢键主要发生在氧八面体和溴酸根基团之间。该结构与本实验室最近报道的六水合镍（Ⅱ）氯酸盐的结构同构。
