ray Crystal Structure Report for Compound 164
X-Ray, Crystal Structure and Solution Phase Studies of a Polymeric SrII Compound
... framework structure of the coordination polymers is primarily dependent upon the coordination preferences of the central metal ions and the functionality of the ...
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A Study X-ray Crystal Structure of Compound 2-[Methylthio(morpholino)methylene]malononitrile, C9H11N3OS
... the crystal structure of 2-[methylthio(morpholino)methylene]malononitrile (C 9 H 11 N 3 ...The compound was obtained by crystallization reaction between 2-(bis(methylthio)methylene)malononitrile and ...
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X-ray Structure Determination. Crystal Structure Solution
... Note: We have solved the structure using Direct Methods. Patterson methods are usually used when there is a particularly heavy atom – in this case it would seem that Patterson would be appropriate since Sn is ...
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X-ray crystal structure of endosulfan sulfate
... X‑ray crystallography is an important method used to confirm the three‑dimensional structure of a chemical com‑ pound. In this study, the crystal structure of endosulfan sulfate was ...
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Crystal structure of a 1,1,2,2 tetrachloroethane solvated hydrazinecarbothioamide compound
... title compound, [(1-{4-[2-(2,4-dihydroxyphenyl)diazen-1-yl]phenyl}ethyl- idene)amino]thiourea, 1,1,2,2-tetrachloroethane monosolvate, C 15 H 15 N 5 O 2 S- C 2 H 2 Cl 4 , was prepared from ...
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Comparative crystal structure determination of griseofulvin: Powder X-ray diffraction versus single-crystal X-ray diffraction
... for crystal structure determination from powder X-ray diffraction ...one crystal, so the data may be contingent. Though powder X-ray diffraction data are collected from the compressing ...
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Evaluation of Effects of Synthetic Compound and Mineral Admixture on Crystal Structure of Concrete
... and crystal lattice structure of triclinic and ...two crystal structures; the CE + KWH for instance contains additional crystal lattices like tetragonal and ...same crystal ...
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Crystal structure of a tetrakis substituted pyrazine compound: 2,3,5,6 tetrakis(bromomethyl)pyrazine†
... was stirred vigorously and heated to reflux. As soon as the reflux set in, the mixture was irradiated for 5 h with two 200 W lamps fitted at least 10 cm at opposite sides of the flask. After the mixture was then cooled ...
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Crystal structure of the coordination compound of triiodidomethyltin(IV) with 2,2′ bipyridine, MeSnI3·bipy
... 4. Synthesis and crystallization In a typical experiment, a suspension of 4.1 g (18 mmol) MePhSnO and 5.6 g (50 mmol, excess) NH 4 I in toluene was heated to reflux of the solvent for 24 h using a Soxhlet extractor ...
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Crystal structure of a new hybrid compound based on an iodidoplumbate(II) anionic motif
... Trigui et al., 2011). In one-dimensional lead halide hybrid compounds, the inorganic chains may be formed by one, two or three bridging halides, referred to as corner-, edge- and face-sharing polyhedra, respectively. ...
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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 [Dugat et ...
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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 ...
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Redetermination of the crystal structure of R5Si4 (R = Pr, Nd) from single crystal X ray diffraction data
... -type structure (space group: P4 1 2 1 2), as reported previously (Smith et ...The structure is built up by distorted body- centered cubes consisting of Pr(Nd) atoms, which are linked to each other by ...
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Full wwpdb X-ray Structure Validation Report
... In the following table, the Percentiles column shows the percent Ramachandran outliers of the chain as a percentile score with respect to all X-ray entries followed by that with respect to entries of similar ...
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Full wwpdb X-ray Structure Validation Report
... In the following table, the Percentiles column shows the percent sidechain outliers of the chain as a percentile score with respect to all X-ray entries followed by that with respect to entries of similar ...
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Full wwpdb X-ray Structure Validation Report
... In the following table, the Percentiles column shows the percent Ramachandran outliers of the chain as a percentile score with respect to all X-ray entries followed by that with respect to entries of similar ...
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Full wwpdb X-ray Structure Validation Report
... 6 Fit of model and data O i 6.1 Protein, DNA and RNA chains O i In the following table, the column labelled `#RSRZ> 2' contains the number (and percentage) of RSRZ outliers, followed by percent RSRZ outliers for the ...
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Full wwpdb X-ray Structure Validation Report
... All All 231390 0 238950 5039 0 The all-atom clashscore is de ned as the number of clashes found per 1000 atoms (including hydrogen atoms). The all-atom clashscore for this structure is 11. All (5039) close ...
240
Full wwpdb X-ray Structure Validation Report
... F o ,F c correlation 0.94 EDS Total number of atoms 15332 wwPDB-VP Average B, all atoms (Å 2 ) 42.0 wwPDB-VP Xtriage's analysis on translational NCS is as follows: The analyses of the Patterson function reveals a ...
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Full wwpdb X-ray Structure Validation Report
... The Z score for a bond length (or angle) is the number of standard deviations the observed value is removed from the expected value.. A bond length (or angle) with |Z| > 5 is consider[r] ...
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