title: Electron crystallography at atomic resolution: ab initio structure analysis of copper perchlorophthalocyanine.
abstract: High-voltage (1200 kV) electron diffraction intensities from approximately 100 A thick crystals of copper perchlorophthalocyanine are used to determine the molecular packing at atomic resolution, thus greatly exceeding the structure detail observed by electron microscopy. Initial crystallographic phases were determined by direct methods often used in X-ray crystallography, i.e., locating the positions of heavy (Cl and Cu) atoms in the structure. All other atom positions were found in subsequent Fourier refinement (final R = 0.28). Calculated bond distances and angles are similar to those found in the earlier X-ray crystal structure of the unchlorinated parent compound.
authors.affiliation: Electron Diffraction Department, Medical Foundation of Buffalo, Inc, NY 14203-1196.
authors.forename: D L
authors.initials: DL
authors.lastname: Dorset
authors.forename: W F
authors.initials: WF
authors.lastname: Tivol
authors.forename: J N
authors.initials: JN
authors.lastname: Turner
mesh_terms: D003300:Copper / Q000737:chemistry*; D003461:Crystallography / Q000379:methods*; D005583:Fourier Analysis; D007211:Indoles / Q000737:chemistry*; D008854:Microscopy, Electron; D015394:Molecular Structure; D009942:Organometallic Compounds / Q000737:chemistry*
chemical_list: D007211:Indoles; D009942:Organometallic Compounds; C073905:copper perchlorophthalocyanine; D003300:Copper