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Crystal Structure of Cesium Phenylacetylide, CsC 2 C 6 H 5 , Solved and Refined from Synchrotron Powder Diffraction Data
Author(s) -
Grzesiak Ireneus,
Ruschewitz Uwe
Publication year - 2015
Publication title -
zeitschrift für anorganische und allgemeine chemie
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.354
H-Index - 66
eISSN - 1521-3749
pISSN - 0044-2313
DOI - 10.1002/zaac.201500685
Subject(s) - synchrotron , crystal structure , powder diffraction , crystallography , diffraction , caesium , acetylide , space group , crystal (programming language) , group (periodic table) , x ray crystallography , chemistry , space (punctuation) , materials science , physics , optics , stereochemistry , inorganic chemistry , computer science , programming language , organic chemistry , operating system
The crystal structure of cesium phenylacetylide, CsC 2 C 6 H 5 , was solved and refined from synchrotron powder diffraction data ( Pbca , Z = 8). Each Cs + cation is coordinated by five ligands: four acetylide groups coordinate side‐on and one end‐on. A similar arrangement is found in the crystal structure of NaC 2 H ( P 4/ nmm , Z = 2). There is a group‐subgroup relationship between both structures. Most importantly, the crystal structure of CsC 2 C 6 H 5 could only be solved with the help of synchrotron data, as the very good peak:noise ratio allowed the assignment of several very weak reflections, which finally led to the correct space group, in which a structural solution was possible using direct space methods.