叠氮基 -（η（5）-五甲基 - 环戊二烯基）[2 -（吡啶 - 2 - 基）苯基]铱（III）
Azido-(η(5)-penta-methyl-cyclo-penta-dien-yl)[2-(pyridin-2-yl)phen-yl]iridium(III).
作者信息
Ariyoshi Keita, Suzuki Takayoshi
机构信息
Department of Chemistry, Faculty of Science, Okayama University, Tsushimanaka 3-1-1, Okayama, 700-8530, Japan.
出版信息
Acta Crystallogr Sect E Struct Rep Online. 2013 Sep 28;69(Pt 10):m566. doi: 10.1107/S1600536813026159. eCollection 2013.
In the title compound, [Ir(C10H15)(C11H8N)(N3)], the Ir(III) ion is coordinated by three anionic ligands, namely, penta-methyl-cyclo-penta-dienyl (Cp*(-)), 2-(pyridin-2-yl)phenyl (ppy(-)) and azide (N3 (-)), and adopts a three-legged piano-stool geometry The coordination mode of N3 (-) is typical for CpIr(III)-N3 complexes, with an Ir-N(N3) bond length of 2.125 (2) Å and an Ir-N=N bond angle of 116.5 (2)°. The N3 (-) ligand is almost linear [N=N=N = 176.0 (3)°], and the N=N bond length between the central and coordinating N atom and that between the central and non-coordinating terminal N atom are 1.194 (3) and 1.157 (3) Å, respectively. For the ppy(-) ligand, the Ir-C and Ir-N bond lengths are 2.066 (3) and 2.079 (3) Å, respectively, which are rather close to each other, compared to the related Ir(III)- or Rh(III)-ppy complexes. The Ir-C(Cp) bond lengths vary in the range 2.163 (2)-2.232 (2) Å, indicating a strong trans influence of the cyclo-metallated C-donor atom of the ppy(-) ligand.
在标题化合物[Ir(C₁₀H₁₅)(C₁₁H₈N)(N₃)]中，Ir(III)离子由三个阴离子配体配位，即五甲基环戊二烯基（Cp*(-)）、2-(吡啶-2-基)苯基（ppy(-)）和叠氮化物（N₃ (-)），并采用三脚钢琴凳几何构型。N₃ (-)的配位模式对于CpIr(III)-N₃配合物来说是典型的，Ir-N(N₃)键长为2.125 (2) Å，Ir-N=N键角为116.5 (2)°。N₃ (-)配体几乎呈线性[N=N=N = 176.0 (3)°]，中心与配位N原子之间的N=N键长以及中心与非配位末端N原子之间的N=N键长分别为1.194 (3)和1.157 (3) Å。对于ppy(-)配体，Ir-C和Ir-N键长分别为2.066 (3)和2.079 (3) Å，与相关的Ir(III)-或Rh(III)-ppy配合物相比，它们彼此相当接近。Ir-C(Cp)键长在2.163 (2)-2.232 (2) Å范围内变化，表明ppy(-)配体的环金属化C供体原子具有很强的反位影响。
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