Single crystal X-ray structure for 77
Comparative crystal structure determination of griseofulvin: Powder X-ray diffraction versus single-crystal X-ray diffraction
... collecting single-crystal diffraction data indexing results were obtained with a tetragonal cell, P41 space group and lattice parameters ...for crystal structure determination from powder ...
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Introduction to single crystal X-ray analysis
... the structure factors, that are intensities, as Fourier coefficients to eliminate phases, because the phase problem arises from using structure factors in the first ...known structure to match that ...
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X-ray crystal structure of endosulfan sulfate
... three‑dimensional structure of a chemical com‑ pound. In this study, the crystal structure of endosulfan sulfate was ...a single peak in the endosulfan sample, but only one peak was observed ...
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Redetermination of the crystal structure of β zinc molybdate from single crystal X ray diffraction data
... S1. Synthesis and crystallization Reagents were used as commercial sources with no further purification. An aqueous solution was prepared by a mixture of 0.047 g 2,2′-bipyridine, 0.015 g of molybdenum trioxide and 0.043 ...
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Redetermination of the crystal structure of tetralithium octafluoridozirconate(IV), Li4ZrF8, from single crystal X ray data
... the crystal-structure redetermination of Li 4 ZrF 8 from single- crystal X-ray ...previous structure report of this species is based on powder X-ray data ...
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Redetermination of the crystal structure of NaTcO4 at 100 and 296 K based on single crystal X ray data
... anion) for which the validity of the proposed equations and approximations for the case of d- electrons are verified. It was believed that, owing to the d 0 electronic state, they define the least complex class of ...
9
Redetermination of the crystal structure of R5Si4 (R = Pr, Nd) from single crystal X ray diffraction data
... and X-ray [Smith et ...and single-crystal data with isotropic atomic displacement parameters [Roger et ...-type structure (space group: P4 1 2 1 2), as reported previously (Smith et ...
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Single crystal X-ray structure of (Z)-1-bromo-1-nitro-2-phenylethene
... Crystallographic data for the structure reported here have been deposited with the Cambridge Crystallographic Data Centre (Deposition No. CCDC-1030430). The data can be obtained free of charge via ...
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Redetermination of Sr2PdO3 from single crystal X ray data
... plaquettes interspersed by Sr II atoms. A brief comparison of Sr 2 PdO 3 with the related K 2 NiF 4 structure type is given. 1. Chemical context Low-dimensional transition-metal oxides with chain structures have ...
7
Redetermination of Dy3Ni from single crystal X ray data
... S1. Comment Lattice parameters for RE 3 Ni compounds with RE = Y, La, Pr, Nd, Sm, Gd–Tm, have been determined and their crystal structures reported to be isotypic with the Fe 3 C (or Al 3 Ni) type structure ...
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Single Crystal X Ray Diffraction Studies on Magnetic Yb5Co4Ge10
... the structure-property relationship, we need to study the complete crystallography analysis from a high quality single ...the crystal structure can be used to explain the valency of the Yb ...
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Redetermination of dysprosium trinickel from single crystal X ray data
... full single-crystal X-ray determination of DyNi 3 , including refinement of the atomic coordinates and the temperature factors for all ...3 structure type in space group R 3 m . A view ...
9
Redetermination of LaZn5 based on single crystal X ray diffraction data
... on X-ray powder data [Nowotny ...the structure type were reported, the present study reveals anisotropic displacement parameters for all ...The crystal structure consists of three ...
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Investigation of the crystal structure of a low water content hydrous olivine to 29.9 GPa: A high-pressure single-crystal X-ray diffraction study
... full structure determination (Supplemental 1 Table ...2013). Structure refinements at various pressures were carried out with SHELXL, Olex2, and VESTA software packages (Sheldrick 2008; Dolomanov et ...
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Redetermination of the low temperature polymorph of Li2MnSiO4 from single crystal X ray data
... The structure can also be described as a typical β II - Li 3 PO 4 structure if cation sites with low site-occupancies are removed, as shown in ...This structure model, which has such excessive ...
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X-ray crystal structure of plasmin with tranexamic acid derived active site inhibitors
... Of note, the inhibitor forms particularly extensive interactions at the S39 subsite where the tyrosine moiety forms a hydrogen bond with K607, and the pyridine moiety forms an imperfect face-to-face p stacking with the ...
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Crystal structure of Pigment Red 254 from X ray powder diffraction data
... The pigment exhibits very low solubility in all solvents, impeding the growth of single crystals suitable for X-ray analyses. Pigments are not dissolved in their application media, but finely ...
7
Isolation and X-ray Crystal Structure of an Electrogenerated TEMPO N3 Charge-Transfer Complex
... 4 Computational Methods. We used Gaussian 09 4 program to carry out all calculations. All geometry optimization calculations in the gas phase were conducted by B3LYP-D3, M06-2X-D3, and ωB97X-D methods. The 6-311++(d,p) ...
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Crystal structures of cristobalite type and coesite type PON redetermined on the basis of single crystal X ray diffraction data
... Refinement Crystal data, data collection and structure refinement details are summarized in Table ...1. Structure refinements of both coe- PON and cri-PON were performed using occupancies of oxygen ...
7
High-pressure single-crystal X-ray diffraction and synchrotron Mössbauer study of monoclinic ferrosilite
... 3.2. Single-crystal synchrotron Mo¨ssbauer spectroscopy 3.2.1. Single-crystal synchrotron Mo¨ssbauer results The quadrupole splitting and isomer shift of the iron sites within ferrosilite were ...
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