A mixed phosphine sulfide/selenide structure as an instructional example for how to evaluate the quality of a model

A mixed phosphine sulfide/selenide structure as an instructional example for how to evaluate the quality of a model

This paper compares variations on a structure model derived from an X-ray diffraction data set from a solid solution of chalcogenide derivatives of cis-1,2-bis(diphenylphosphanyl)ethylene, namely, 1,2-(ethene-1,2-diyl)bis(diphenylphoshpine sulfide/selenide), C26H22P2S1.13Se0.87. A sequence of proces...

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Bibliographic Details
Main Authors: Sean Parkin, Jeremy Cunningham, Brian Rawls, John E. Bender, Richard J. Staples, Shannon M. Biros
Format: Article
Language:English
Published: International Union of Crystallography 2023-04-01
Series:Acta Crystallographica Section E: Crystallographic Communications
Subjects:
checkcif alerts
f2obs vs f2calc
omit command
outliers
displacement ellipsoids
solid solution
disordered electron density
standard interatomic distances
crystal structure
Online Access:http://scripts.iucr.org/cgi-bin/paper?S2056989023002700

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http://scripts.iucr.org/cgi-bin/paper?S2056989023002700

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