Electron density of the 1:2 complex of valinomycin with calcium triflate observed in crystals of the composition (valinomycin)Ca2(OTf)4(THF)5(H2O)4

被引：0
|
作者：
Luger, Peter [1 ]
Dittrich, Birger [2 ]
机构：
[1] Free Univ Berlin, Inst Chem & Biochem, Anorgan Chem, Fabeckstrae 36a, D-14195 Berlin, Germany
[2] Univ Zurich, Math Nat Wissensch Fak, Winterthurerstr 190, CH-8057 Zurich, Switzerland
来源：
ZEITSCHRIFT FUR NATURFORSCHUNG SECTION B-A JOURNAL OF CHEMICAL SCIENCES | 2022年 / 77卷 / 09期
关键词：
electron density; invariom formalism; macrolide antibiotic; valinomycin; EXPERIMENTAL CHARGE-DENSITY; MOLECULAR-STRUCTURE; HIRSHFELD SURFACES; INVARIOM; TRANSPORT;
D O I：
10.1515/znb-2022-0067
中图分类号：
O61 [无机化学];
学科分类号：
070301 ; 081704 ;
摘要：
The electron density of a 1:2 complex of valinomycin with calcium triflate consisting of 10 substructures and a total of 279 atoms was examined using the invariom formalism. In addition to geometric properties, sites and strengths of hydrogen bonds were identified from bond topological properties and from electron density concentrations mapped onto Hirshfeld surfaces. In contrast to free valinomycin and corresponding complexes with potassium the hydrogen bonds are all intermolecular and evenly distributed over the complex. A series of electrostatic potential (ESP) surfaces show the mutual influence in the ensemble of this high Z ' structure.
引用
收藏
页码：633 / 641
页数：9
相关论文
共 50 条
  • [11] Polynuclear aggregation of manganese dichloride. Syntheses, properties, and structures of polymeric [MnCl2(THF)1.6]∞, dimeric [(THF)4Mg(μ-Cl)2MnCl2], and ionic [Mg(H2O)2-(THF)4][Mg(H2O)4(THF)2][MnCl4]2•2THF compounds
    Sobota, P
    Utko, J
    Jerzykiewicz, LB
    INORGANIC CHEMISTRY, 1998, 37 (13) : 3428 - +
  • [12] ESR of gamma irradiated (NH4)2C2O4•H2O and K2C2O4•H2O single crystals
    Tezel, O
    Köroglu, A
    Gencten, A
    Celik, F
    INDIAN JOURNAL OF PURE & APPLIED PHYSICS, 1999, 37 (02) : 122 - 126
  • [13] STUDIES ON UO2F2/THF4/H2O SYSTEM
    KOLDITZ, L
    FEIST, M
    WILDE, W
    PROSCH, U
    ZEITSCHRIFT FUR CHEMIE, 1977, 17 (05): : 194 - 195
  • [14] The mechanism of dehydration of Ca(H2PO4)2•H2O
    Aldabergenov, MK
    Balakaeva, GT
    ZHURNAL FIZICHESKOI KHIMII, 1998, 72 (09): : 1547 - 1549
  • [15] STRUCTURE OF K OSNCL4H2O!H2O CRYSTALS
    ATOVMYAN, LO
    TKACHEV, VV
    ZHURNAL STRUKTURNOI KHIMII, 1970, 11 (05): : 933 - &
  • [16] Crystal structure of diaquabis(μ-4-carboxy-2-ethyl-1H-imidazole-5-carboxylato-κ3N3,O4:O5)calcium(II), Ca(H2O)2(C7H7N2O4)2
    Tian, Da-Min
    Li, Yin-Feng
    Hao, Cheng-Jun
    ZEITSCHRIFT FUR KRISTALLOGRAPHIE-NEW CRYSTAL STRUCTURES, 2010, 225 (02): : 403 - 404
  • [17] Synthesis, thermal decomposition and crystal structure of two-dimensional network binuclear complex [Ca2(C10H8N2O4)2(DMSO)2(H2O)4]•2DMSO
    Cao, WK
    He, SY
    Zhao, JS
    Yang, R
    Shi, QZ
    Wang, DQ
    Dou, JM
    ACTA CHIMICA SINICA, 2003, 61 (10) : 1612 - 1617
  • [18] Synthesis, structure, and thermal decomposition of [H2(4,4′-Bipy)][In(H2O)2(NCS)4]2 and [HUr]2[In(H2O)(NCS)5] · 2H2O
    S. P. Petrosyants
    A. B. Ilyukhin
    V. A. Ketsko
    Russian Journal of Inorganic Chemistry, 2008, 53 : 879 - 883
  • [19] Synthesis, structure, and thermal decomposition of [H2(4,4′-Bipy)][In(H2O)2(NCS)4]2 and [HUr]2[In(H2O)(NCS)5] • 2H2O
    Petrosyants, S. P.
    Ilyukhin, A. B.
    Ketsko, V. A.
    RUSSIAN JOURNAL OF INORGANIC CHEMISTRY, 2008, 53 (06) : 879 - 883
  • [20] STRUCTURAL STUDY OF CALCIUM TETRAPHOSPHONATE CA2C4H8O12P4, 10 H2O
    PHILIPPOT, E
    BRUN, G
    JUMAS, JC
    MAURIN, M
    REVUE DE CHIMIE MINERALE, 1972, 9 (04): : 591 - +
12345