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
  • [31] BARIUM COPPER(II) OXOCARBON COMPOUNDS - SYNTHESIS, CRYSTAL-STRUCTURES AND THERMAL BEHAVIORS OF [BA(H2O)(5)][CU(C2O4)(2)(H2O)] AND [BA(C4O4)(0.5)(H2O)(2)](2)[CU(C4O4)(2)(H2O)(2)]
    BOUAYAD, A
    TROMBE, JC
    GLEIZES, A
    INORGANICA CHIMICA ACTA, 1995, 230 (1-2) : 1 - 7
  • [32] EPR of Fe3+ ion and symmetry of [AIF5·H2O]2− complex ion in (NH4)2AIF5·H2O single crystals
    A. Darabont
    C. Neamtu
    S. I. Fârcaş
    L. Tapaszto
    Applied Magnetic Resonance, 2003, 25 : 1 - 12
  • [33] CRYSTAL-STRUCTURE OF CALCIUM TARTRATE TETRAHYDRATE, C4H4O6CA(H2O)4
    BOESE, R
    HEINEMANN, O
    ZEITSCHRIFT FUR KRISTALLOGRAPHIE, 1993, 205 : 348 - 349
  • [34] MECHANISM OF THE REACTION CA5H2(ASO4)4-9 H2O (FERRARISITE)-]CA5H2(ASO4)4-5H2O) (DIMORPH OF VLADIMIRITE), AND STRUCTURE OF THE LATTER PHASE
    CATTI, M
    IVALDI, G
    ZEITSCHRIFT FUR KRISTALLOGRAPHIE, 1981, 157 (1-2): : 119 - 130
  • [35] Thermal behaviour of [Ca(H2O)4](NO3)2
    Migdal-Mikuli, Anna
    Hetmanczyk, Joanna
    Hetmancyzyk, L.
    JOURNAL OF THERMAL ANALYSIS AND CALORIMETRY, 2007, 89 (02) : 499 - 503
  • [36] Thermal behaviour of [Ca(H2O)4](NO3)2
    Anna Migdał-Mikuli
    Joanna Hetmańczyk
    Ł. Hetmańczyk
    Journal of Thermal Analysis and Calorimetry, 2007, 89 : 499 - 503
  • [37] Crystal structure of rapidcreekite, Ca2(SO4)(CO3)(H2O)4, and its relation to the structure of gypsum
    Can Mineral, 1 (99):
  • [38] Crystal structure and characterization of [La(H2O)]2(C2O4)(C4H4O5)2
    Trombe, JC
    Roméro, S
    SOLID STATE SCIENCES, 2000, 2 (02) : 279 - 283
  • [39] Synthesis and Characterization of Ca2(PO2NH)4•8H2O
    Sedlmaier, Stefan J.
    Roemer, S. Rebecca
    Schnick, Wolfgang
    ZEITSCHRIFT FUR ANORGANISCHE UND ALLGEMEINE CHEMIE, 2011, 637 (14-15): : 2228 - 2232
  • [40] Crystal Structure of Calcium [Aqua(Nitrilotriacetatocobaltate(II)] Tetrahydrate, Ca[Co(Nta)(H2O)]2· 4H2O
    L. A. Zasurskaya
    I. N. Polyakova
    T. N. Polynova
    A. L. Poznyak
    V. S. Sergienko
    Russian Journal of Coordination Chemistry, 2001, 27 : 270 - 274
12345