Vassilyeva Olga Yu, Kasyanova Katerina V, Kokozay Vladimir N, Skelton Brian W
Department of Chemistry, Taras Shevchenko National University of Kyiv, 64/13 Volodymyrska Street, Kyiv 01601, Ukraine.
School of Molecular Sciences, M310, University of Western Australia, Perth, WA 6009, Australia.
Acta Crystallogr E Crystallogr Commun. 2018 Oct 2;74(Pt 11):1532-1535. doi: 10.1107/S2056989018013610. eCollection 2018 Nov 1.
The title compound, [CoCd(CHNO)Cl]·HO, is a solvatomorph of the corresponding hemihydrate recently published by us [Nesterova (2018 ▸). , , 171-184]. The current structure reveals different cell parameters and space group compared with the published one while both are monoclinic with almost the same cell volume. The title compound is formed of discrete neutral dinuclear mol-ecules with no crystallographically imposed symmetry and water mol-ecules of crystallization. The overall geometry about the cobalt(III) ion is octa-hedral with an NO environment; each ligand acts as a meridional ONO donor. The Cd coordination sphere approximates an irregular square pyramid with a chlorine atom at the apex. There is significant shortening of a Cd-O bond length to the oxygen atom of the methoxo group on one of the ligands [2.459 (3) Å] compared to the corresponding distance in the published structure [2.724 (7) Å], while other Cd-Cl/N/O bonds remain roughly the same. In the crystal lattice, the heterometallic mol-ecules, which are related by the crystallographic -glide plane and inter-linked by weak hydrogen bonds to solvent water mol-ecules, form columns along [101]. Adjacent columns lie anti-parallel to each other.
标题化合物[CoCd(CHNO)Cl]·HO是我们最近发表的相应半水合物的溶剂变体[Nesterova (2018 ▸).,, 171 - 184]。当前结构与已发表的结构相比显示出不同的晶胞参数和空间群,二者均为单斜晶系且晶胞体积几乎相同。标题化合物由离散的中性双核分子组成,不存在晶体学上强制的对称性以及结晶水分子。钴(III)离子周围的整体几何构型为八面体,具有一个NO环境;每个配体作为一个经式ONO供体。镉的配位球近似一个不规则的方锥,顶点为一个氯原子。与已发表结构中的相应距离[2.724 (7) Å]相比,其中一个配体上与甲氧基氧原子相连的Cd - O键长显著缩短至2.459 (3) Å,而其他Cd - Cl/N/O键大致保持不变。在晶格中,通过晶体学滑移面相关且通过与溶剂水分子的弱氢键相互连接的异金属分子,沿[101]方向形成柱体。相邻柱体彼此反平行排列。