絡(luò)合物1在沒有溶劑化物的正交晶格中結(jié)晶.乙炔基苯基環(huán)與(N∧C∧N)Pt平面垂直,后者與ab平面共平面.沿著c軸存在無限的PtII…PtII鏈,伴隨著3.383Å(短于3.44的范德瓦爾斯半徑之和)的均勻的金屬間接觸和172.85°的Pt-Pt-Pt角.相鄰分子以一種交錯(cuò)形式排列,圍繞Pt-Pt軸的扭轉(zhuǎn)角為49.4°(圖1b).分子間C-H…π互作用在沿b軸的每兩個(gè)相鄰分子之間已辨別清楚(圖1c),就如由(N∧C∧N)配體的H15和另一分子的乙炔基C19之間2.691 Å的短接觸,以及159.6°的C15-H15-C19角度所表明的那樣.沿a軸不存在短的分子間接觸可加以識(shí)別.
絡(luò)合物4結(jié)晶為薄片,其存在兩個(gè)固有的孿生問題.不管怎樣,我們能夠利用直接的方法解決絡(luò)合物4的晶體結(jié)構(gòu)問題,這種方法基于一組具有87%完整性的X射線衍射數(shù)據(jù)(詳情見支持信息).該晶體結(jié)構(gòu)具有單斜晶的空間基團(tuán),絡(luò)合物的每三個(gè)晶體學(xué)上獨(dú)立的分子帶半個(gè)己烷溶劑化物分子.這些分子的(N∧C∧N)Pt平面與[10-1]晶面是接近于共平面的(參見支持信息的圖).在兩個(gè)相鄰分子之間的金屬間距離為3.229、4.879和3.710 Å.類似于晶體1,其具有2.646 Å短接觸距離和163.6°接觸角的分子間C-H…π(C≡C)互作用已經(jīng)在沿c軸的每兩個(gè)相鄰的分子之間得到識(shí)別.
英語翻譯
英語翻譯
Complex 1 crystallizes in an orthorhombic lattice without
solvates.The acetylenic phenyl ring is perpendicular to the
(N^C^N)Pt plane,and the latter is coplanar with the
ab plane.Infinite PtII···PtII chains exist along the c axis,with
a uniform intermetal contact of 3.383 \2 (shorter than the sum
of van der Waals radii of 3.44 \2) and a Pt-Pt-Pt angle of
172.858.Neighboring molecules are arranged in a staggered
fashion with a torsion angle of 49.48 around the Pt–Pt axis
(Figure 1b).Intermolecular C\2H···p interactions have been
discerned between every two adjacent molecules along the
b axis (Figure 1c),as indicated by a short contact of 2.691 \2
between H15 of the (N^C^N) ligand and acetylenic C19 of
another molecule,and a C15-H15-C19 angle of 159.68.No
short intermolecular contacts could be identified along the
a axis.
Complex 4 crystallizes as thin plates with intrinsic
twinning problems.Nevertheless,we were able to solve the
crystal structure of 4 by direct methods based on a set of X-ray
diffraction data with 87% completeness (see the Supporting
Information for details).The crystal structure has a monoclinic
space group with one half of a hexane solvate molecule
per three crystallographically independent molecules of the
complex.The (N^C^N)Pt planes of the these molecules are
nearly coplanar with the [10\21] crystal faces (see the
Supporting Information for diagrams).The intermetal distances
between the two neighboring molecules are 3.229,
4.879,and 3.710 \2.Similar to crystal 1,the intermolecular
C\2H···p(C\3C) interactions with a short contact distance of2.646 \2 and contact angle of 163.68 have been identified
between every two adjacent molecules along the c axis.
Complex 1 crystallizes in an orthorhombic lattice without
solvates.The acetylenic phenyl ring is perpendicular to the
(N^C^N)Pt plane,and the latter is coplanar with the
ab plane.Infinite PtII···PtII chains exist along the c axis,with
a uniform intermetal contact of 3.383 \2 (shorter than the sum
of van der Waals radii of 3.44 \2) and a Pt-Pt-Pt angle of
172.858.Neighboring molecules are arranged in a staggered
fashion with a torsion angle of 49.48 around the Pt–Pt axis
(Figure 1b).Intermolecular C\2H···p interactions have been
discerned between every two adjacent molecules along the
b axis (Figure 1c),as indicated by a short contact of 2.691 \2
between H15 of the (N^C^N) ligand and acetylenic C19 of
another molecule,and a C15-H15-C19 angle of 159.68.No
short intermolecular contacts could be identified along the
a axis.
Complex 4 crystallizes as thin plates with intrinsic
twinning problems.Nevertheless,we were able to solve the
crystal structure of 4 by direct methods based on a set of X-ray
diffraction data with 87% completeness (see the Supporting
Information for details).The crystal structure has a monoclinic
space group with one half of a hexane solvate molecule
per three crystallographically independent molecules of the
complex.The (N^C^N)Pt planes of the these molecules are
nearly coplanar with the [10\21] crystal faces (see the
Supporting Information for diagrams).The intermetal distances
between the two neighboring molecules are 3.229,
4.879,and 3.710 \2.Similar to crystal 1,the intermolecular
C\2H···p(C\3C) interactions with a short contact distance of2.646 \2 and contact angle of 163.68 have been identified
between every two adjacent molecules along the c axis.
英語人氣:803 ℃時(shí)間:2019-12-01 13:42:20
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