An unexpected co-crystal with a variable degree of order: 1:1 rac-1,2-cyclohexanediol/triphenylphosphine oxide [0.03%]
意想不到的共晶体：旋光异构体1,2-环己烷二醇/三苯基氧化磷(1:1)具有可变程度的有序性
Maxime A Siegler,Yigang Fu,Greg H Simpson et al.
Maxime A Siegler et al.
A 1:1 co-crystal of rac-trans-1,2-C(6)H(10)(OH)(2) and (C(6)H(5))(3)PO has been found that is unusual because there are no strong interactions between the two kinds of molecules, which are segregated into layers. Furthermore, neither pure r...
Isobaric and isochoric freezing of CH2BrCl and isostructural relations between CH2Cl2, CH2Br2 and CH2BrCl [0.03%]
CH2BrCl 的等压和等容固化及 CH2Cl2、CH2Br2 和 CH2BrCl 之间的同构关系
Marcin Podsiadło,Andrzej Katrusiak
Marcin Podsiadło
Bromochloromethane, CH(2)BrCl, has been temperature-frozen and in situ pressure-frozen and the structure determined by X-ray diffraction at low temperatures of 170 and 100 K at ambient pressure (0.10 MPa), and at high pressures of 1.04 and ...
Roman Gajda,Andrzej Katrusiak
Roman Gajda
The competing effects of squeezed OH...O bonds, destabilizing the H-atom position, and of displaced hydrogen donor and acceptor groups, favouring the ordered H-atom sites, have been tuned by pressure in the pressure-frozen dichloroacetic ac...
Supramolecular structures in N-isonicotinoyl arylaldehydehydrazones: multiple hydrogen-bonding modes in series of geometric isomers [0.03%]
N-异烟酰芳醛腙的超分子结构：一系列几何异构体中多重氢键模式
Solange M S V Wardell,Marcus V N de Souza,James L Wardell et al.
Solange M S V Wardell et al.
Sixteen N-isonicotinoyl arylaldehydehydrazones, NC(5)H(4)CONHN=CHC(6)H(4)R, have been studied and the structures of 14 of them have been determined, including the unsubstituted parent compound with R = H, and the complete sets of 2-, 3- and...
Probabilistic model-based methodology for the conformational study of cyclic systems: application to copper complexes double-bridged by phosphate and related ligands [0.03%]
基于概率模型的环状体系构象研究方法学及其在铜配合物双磷桥连配体等体系中的应用
M Kessler,J Pérez,M C Bueso et al.
M Kessler et al.
A methodology for the conformational study of cyclic systems through the statistical analysis of torsion angles is presented. It relies on a combination of different methods based on a probabilistic model which takes into account the topolo...
Experimental and theoretical characterization of the Zn-Zn bond in [Zn2(eta5-C5Me5)2] [0.03%]
[Zn2(η5-C5Me5)2]中Zn—Zn键的实验和理论表征研究
Juan F Van der Maelen,Enrique Gutiérrez-Puebla,Angeles Monge et al.
Juan F Van der Maelen et al.
The existence and characterization of a bond between the Zn atoms in the recently synthesized complex [Zn(2)(eta(5)-C(5)Me(5))(2)], as well as between Zn and ligand C atoms is firmly based on neutron diffraction and low-temperature X-ray sy...
Structure of calcium aluminate decahydrate (CaAl2O4.10D2O) from neutron and X-ray powder diffraction data [0.03%]
基于中子和X射线粉晶衍射数据的碱式硫酸铝·10H₂O晶体结构
Axel Nørlund Christensen,Bente Lebech,Denis Sheptyakov et al.
Axel Nørlund Christensen et al.
Calcium aluminate decahydrate is hexagonal with the space group P6(3)/m and Z = 6. The compound has been named CaAl(2)O(4).10H(2)O (CAH(10)) for decades and is known as the product obtained by hydration of CaAl(2)O(4) (CA) in the temperatur...
Reticular merohedral twinning within the La9Sb5O5 structure family: structure of Pr9Sb5O5, Sm9Sb5O5 and Dy9Sb5O5 [0.03%]
镧系金属亚稳定化合物Pr9Sb5O5，Sm9Sb5O5和Dy9Sb5O5的结构研究
Jürgen Nuss,Martin Jansen
Jürgen Nuss
The novel antimonide oxides Pr(9)Sb(5)O(5), Sm(9)Sb(5)O(5) and Dy(9)Sb(5)O(5) were synthesized from the respective RESb, the rare-earth metals (RE = Pr, Sm, Dy), and RE(2)O(3) (RE = Sm, Dy) or Pr(4)O(7), respectively, in sealed tantalum amp...
Sebastian Prinz,Karine M Sparta,Georg Roth
Sebastian Prinz
The V(4+) (spin (1/2)) oxovanadates AV(3)O(7) (A = Ca, Sr) were synthesized and studied by means of single-crystal X-ray diffraction. The room-temperature structures of both compounds are orthorhombic and their respective space groups are P...
Neutron diffraction investigation of the temperature dependence of crystal structure and thermal motions of red HgI2 [0.03%]
用中子衍射研究红HgI2结构的温度依赖性及热运动
Dieter Schwarzenbach,Henrik Birkedal,Marc Hostettler et al.
Dieter Schwarzenbach et al.
The structure of, and anisotropic thermal motions in, the red semiconductor tetrahedral layer structure of HgI(2) have been studied with neutron powder diffraction as a function of temperature from 10 to 293 K. Average thermal displacement ...