Crystal data and structure refinement for Complex (R,R)-309
R Phase Structure Refinement Using Electron Diffraction Data
... atomic structure and not with the variation of the ...an R factor below 15% represent the true single crystal R-phase while the remaining probes orig- inate from boundary regions between the ...
6
Redetermination of the crystal structure of R5Si4 (R = Pr, Nd) from single crystal X ray diffraction data
... single-crystal data with isotropic atomic displacement parameters [Roger et ...-type structure (space group: P4 1 2 1 2), as reported previously (Smith et ...The structure is built up by ...
14
Crystal structure of (R) 2′ benzyloxy [1,1′ binaphthalen] 2 yl trifluoromethanesulfonate
... . Refinement of F 2 against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F 2 , conventional R-factors R are based on F, with F set to zero for negative F 2 ...
11
New refinement of the crystal structure of Zn(NH3)2Cl2 at 100 K
... of Complex Matter, Ecole Polytechnique Fe´de´rale de Lausanne, Switzerland, and b Crystal Growth Facility, Ecole Polytechnique Fe´de´rale de Lausanne, ...
5
Reinvestigation of the crystal structure of Ca2Ce8(SiO4)6O2 apatite by Rietveld refinement
... hexagonal crystal system in space group P6 3 ...present structure, type I cations are statistically occupied by Ca and Ce whereas type II cations are solely occupied by ...
9
Crystal structure of (R) 6 fluoro 2 [(S) oxiran 2 yl]chroman
... single crystal of a solid stereoisomer obtained from (R) -6-fluoro-4-oxo-3,4- dihydro-2H-chromene-2-carboxylic acid revealed that it has R,S configuration at the stereogenic centers ...1). ...
8
CiteSeerX — Crystal structure of a mammalian voltage-dependent Shaker family K+ channel, Science 309
... the crystal structure of the mammalian Shaker family Kv channel ...in complex with the b 2 ...and crystal- lization, and many steps were taken to min- imize ...I4 crystal lattice of ...
7
Crystal structure and DFT study of a zinc xanthate complex
... 8. Refinement Crystal data, data collection and structure refinement details are summarized in Table 3. The C-bound H atoms were positioned geometrically and refined using a ...
11
Crystal Structure of the Double Homeodomain of DUX4 in Complex with DNA
... Double homeobox (DUX) transcription factors are unique to eutherian mammals. DUX4 regulates expression of repetitive elements during early embryogenesis, but misexpression of DUX4 causes facioscapulohumeral muscular ...
12
Crystal structure of a dimeric β diketiminate magnesium complex
... ) distance of 3.72 (1) A ˚ was measured for this interaction. 1. Chemical context The ubiquity of -diketiminate (Nacnac) ancillary ligands likely stems from the analogous acetylacetonato (acac) ligands in coordination ...
13
Structure and Function of Protein Kinase R
... and complex sedimentation coefficients during the fitting procedure making assignment of the sedimentation coefficients a critical determinant of affinity and complex ...the data, we chose an ...
203
Supplemental Information to A new Method to compute R complete enables Maximum Likelihood Refinement for Small Data Sets
... The large number of coordinate files that are created during the calculation of R complete allow the calculation of coordinate errors without statistical assumptions. The program CrossCheck by JL analyses all ...
29
Crystal structure of the thermochromic bis(diethylammonium) tetrachloridocuprate(II) complex
... 1. Chemical context Thermochromic compounds exhibit a reversible change in color corresponding to a change in temperature. This change can occur in the solid state or in solution and is typically due to geometry ...
11
Crystal Structure of Cas9 in Complex with Guide RNA and Target DNA
... present crystal structure provides a critical step towards understanding the molecular mechanism of RNA-guided DNA targeting by ...ternary complex containing the non-complementary strand, will be ...
26
Crystal structure of (R) N benzyl 1 phenylethanaminium (R) 4 chloromandelate
... In our on-going research work on the resolution of chlorine-substituted mandelic acids with optically active phenyl-ethyl- amine(PEA) and it was found that that PEA was an excellent resolving agent for the resolution of ...
9
Crystal structure of Na2HfSi2O7 by Rietveld refinement
... The structure of triclinic disodium hafnium disilicate, Na 2 HfSi 2 O 7 , has been determined by laboratory powder X-ray diffraction and refined by the Rietveld ...The structure is a framework made of ...
8
Crystal Structure and Pseudo Mackay Clusters of R AlPdCo
... (Received February 12, 2013; Accepted May 7, 2013; Published June 14, 2013) Keywords: X-ray diffraction, crystal structure, approximants, AlPdCo, pseudo-Mackay cluster, rhombohedral 1. Introduction ...
7
Crystal Structure Refinement-A Crystal Log Rap Hers Guide to SHELXL
... standard refinement 10.1.1 Anisotropic displacement parameters 10.1.2 Multiple discrete sites 10.1.3 Hydrogens 10.1.4 Solvent 10.1.5 Standard uncertainties 10.2 Stages of a typical refinem[r] ...
232
Simulation of synthetic complex data: The R package simPop
... individual data, and standard statistical disclosure control methods do not always suffice to protect the confi- dentiality of the ...of data available of different types (e.g., microdata and aggregated ...
38