Synthesis, crystal structure and DFT study of carbon-yl[3-(dibenzo[ b, d]thio-phen-4-yl)-6-(pyridin-2-yl-κ N)pyridazine-κ N 1]bis-(tri-methyl-phosphane)iron(0) [0.03%]
碳基二茂铁-3-((E,E)-3-(苯并[b,d]噻吩-4-基)-6-(吡啶-2-基亚氨基)哒嗪
Ryota Futaki,Noriko Chikaraishi Kasuga,Masakazu Hirotsu
Ryota Futaki
The title compound, [Fe(C21H13N3S)(CO)(PMe3)2] (2), bearing a 3-(dibenzo[b,d]thio-phen-4-yl)-6-(pyridin-2-yl)pyridazine ligand was obtained by the reaction of [Fe(C21H13N3S)(CO)3] (1) with [Fe(PMe3)4]. Crystal structure analysis of 2 reveal...
Practical aspects of teaching a graduate-level small-mol-ecule chemical crystallography course [0.03%]
小分子化学晶体学课程的教学实践方面的问题
John F Berry,Ilia A Guzei
John F Berry
We present the practical curriculum of the graduate Chemical Crystallography course in the Department of Chemistry of the University of Wisconsin-Madison, outlining our favorite resources, texts, and software. The course relies on collabora...
Synthesis, crystal structure and Hirshfeld surface analysis of bis-(1 H-benzimidazole-κ N 3)bis(benzimidazole-2-carboxyl-ato-κ2 N 3, O)cobalt(II) [0.03%]
二氯化钴(II)与苯并咪唑及苯并咪唑甲酸的缩合产物的合成、晶体结构和Hirshfeld面分析
Farangiz Khujayeva,Sardor Murodov,Rukhshona Muratkulova et al.
Farangiz Khujayeva et al.
The title complex, [Co(C8H5N2O2)2(C7H6N2)2], crystallizes in the monoclinic space group P2 1 /c with one-half of the mol-ecule in the asymmetric unit. The Co2+ ion exhibits a distorted octa-hedral environment formed by two monodentate benzi...
Structure of racemic calcium 5-methyl-tetra-hydrofolate trihydrate from synchrotron powder diffraction data and density functional theory [0.03%]
基于同步辐射粉末衍射数据和密度泛函理论的消旋钙5-甲基四氢叶酸三水合物晶体结构研究
Jacob K Salazar,James A Kaduk
Jacob K Salazar
The crystal structure of the racemic title compound, poly[[(μ-(2S)-2-{[4-({[(6S)-2-amino-5-methyl-1,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)phenyl]formamido}pentanedioato)diaquacalcium(II)] monohydrate], {[Ca(C20H23N7O6)(H2O)2]·H2O}...
Arindam Saha,Garry S Hanan,Mihaela Cibian
Arindam Saha
The title compound [systematic name: N-(2,3,4,5,6-penta-fluoro-phen-yl)pyridine-4-carboxamide], C12H5F5N2O, crystallizes with two independent mol-ecules (A and B) in the asymmetric unit in space group P1. The mol-ecules adopt a conformation...
Crystal structure and computational analysis of tetra-kis-(aceto-nitrile)-bis-(nona-fluoro- tert-butanolato)titanium(III) complex as a salt of the weakly coordinating [Al{OC(CF3)3}4]- anion [0.03%]
四(乙腈)双(九氟异丁醇酸根) titanium(III) 复合物的晶体结构及计算分析(与弱配位[Al{OC(CF3)3}4]- 盐相关)
Przemysław Jan Malinowski,Kacper Koteras
Przemysław Jan Malinowski
The title compound, [Ti(C4F9O)2(C2H3N)4][Al(C4F9O)4] or [Ti{OC(CF3)3}2(CH3CN)4][Al{OC(CF3)3}4], is the first structurally characterized complex of TiIII containing four aceto-nitrile mol-ecules and perfluorinated alk-oxy-aluminate in its co...
Danylo S Kreiman,Dmytro M Korytko,Iryna S Kuzevanova et al.
Danylo S Kreiman et al.
In the hybride title salt, (C2H7BrN)2[SnBr6], the charge of the anionic [SnBr6]2- moiety is balanced by two (H3N(CH2)2Br)+ cations. The tin(IV) atom is located on a mirror plane and has a slightly distorted octa-hedral coordination environm...
Synthesis, crystal structure, Hirshfeld surface and DFT analysis of bis-(4-oxo-4-phenyl-but-2-en-2-olato-κ2 O, O')copper(II) [0.03%]
二氯化二(4-氧代-4-苯基丁-2,3-二烯-2-醇酸根)(凯氏)铜的合成、晶体结构、Hirshfeld面及DFT分析
Kyzlarkhan Siddikova,Sardor Murodov,Daminbek Ziyatov et al.
Kyzlarkhan Siddikova et al.
In the title compound, [Cu(C10H9O2)2], which crystallizes in space group P21/n, the central CuII ion is four-coordinate and closely approaches an ideal square-planar geometry: Cu-O = 1.9173 (18)-1.920 (2) Å, O-Cu-O = 93.34 (7)°, τ4 = 0.0...
Synthesis, crystal structure and Hirshfeld surface of bis-(acetato-κ2 O, O')(2-benzyl-1 H-benzimidazole-κ N 3)copper(II) [0.03%]
二氯化双（乙酰氧根）（2-苄基-1H-苯并咪唑）合铜的合成、晶体结构和Hirshfeld面分析
Gulnoza Boboyeva,Gulbeka Mamatova,Sardor Murodov et al.
Gulnoza Boboyeva et al.
The title copper(II) complex, [Cu(C2H3O2)2(C14H12N2)2], was synthesized and structurally characterized. It crystallizes in the monoclinic space group P2 1 /n with one mol-ecule per asymmetric unit. The Cu2+ ion exhibits a distorted octa-hed...
Crystal structure of poly[μ-diphen-yl(pyridin-4-yl)phosphane-κ2 N: P-μ-tri-fluoro-acetato-κ2 O: O'-silver(I)] from synchrotron data [0.03%]
基于同步辐射数据的聚[二(4-吡啶基)苯基膦-银(I)-双三氟乙酸银]晶体结构
Jiyeong Song,Young-A Lee,Dongwon Kim
Jiyeong Song
The crystal structure of the title compound, [Ag(CF3CO2)(C17H14NP)] has been determined from synchrotron data (λ = 0.70000 Å). Centrosymmetric dinuclear Ag2O2 units, generated by inversion centers, extend into a two-dimensional coordinati...