Crystal structure of copper perchlorophthalocyanine analysed by 3D electron diffraction

Tatiana E. Gorelik; Stefan Habermehl; Aleksandr A. Shubin; Tim Gruene; Kaname Yoshida; Peter Oleynikov; Ute Kaiser; Martin U. Schmidt

doi:10.1107/S2052520621006806

Crystal structure of copper perchlorophthalocyanine analysed by 3D electron diffraction

Tatiana E. Gorelik (Corresponding author), Stefan Habermehl, Aleksandr A. Shubin, Tim Gruene, Kaname Yoshida, Peter Oleynikov, Ute Kaiser, Martin U. Schmidt

Publications: Contribution to journal › Article › Peer Reviewed

Original language	English
Pages (from-to)	662-675
Number of pages	14
Journal	Acta Crystallographica. Section B: Structural science, crystal engineering and materials
Volume	B77
Issue number	4
DOIs	https://doi.org/10.1107/S2052520621006806
Publication status	Published - Aug 2021

Austrian Fields of Science 2012

104017 Physical chemistry
105113 Crystallography
104024 X-ray structural analysis

Keywords

electron crystallography
3D electron diffraction
continuous rotation
copper phthalocyanine
Pigment Green 7
Rietveld refinement
DFT plus MBD calculations
QUANTITATIVE STRUCTURE DETERMINATION
DENSITY-FUNCTIONAL THEORY
X-RAY
METAL-FREE
PHTHALOCYANINES
REFINEMENT
RESOLUTION
TOMOGRAPHY
SCATTERING
NICKEL
DFT+MBD calculations

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10.1107/S2052520621006806Licence: CC BY 4.0

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@article{5e0f9e7936e04f8e9980ed7cd5d2ee79,

title = "Crystal structure of copper perchlorophthalocyanine analysed by 3D electron diffraction",

keywords = "electron crystallography, 3D electron diffraction, continuous rotation, copper phthalocyanine, Pigment Green 7, Rietveld refinement, DFT plus MBD calculations, QUANTITATIVE STRUCTURE DETERMINATION, DENSITY-FUNCTIONAL THEORY, X-RAY, METAL-FREE, PHTHALOCYANINES, REFINEMENT, RESOLUTION, TOMOGRAPHY, SCATTERING, NICKEL, DFT+MBD calculations",

author = "Gorelik, {Tatiana E.} and Stefan Habermehl and Shubin, {Aleksandr A.} and Tim Gruene and Kaname Yoshida and Peter Oleynikov and Ute Kaiser and Schmidt, {Martin U.}",

year = "2021",

month = aug,

doi = "10.1107/S2052520621006806",

language = "English",

volume = "B77",

pages = "662--675",

journal = "Acta Crystallographica. Section B: Structural science, crystal engineering and materials",

issn = "2052-5192",

publisher = "Wiley-Blackwell",

number = "4",

}

Crystal structure of copper perchlorophthalocyanine analysed by 3D electron diffraction. / Gorelik, Tatiana E. (Corresponding author); Habermehl, Stefan; Shubin, Aleksandr A. et al.
In: Acta Crystallographica. Section B: Structural science, crystal engineering and materials, Vol. B77, No. 4, 08.2021, p. 662-675.

Publications: Contribution to journal › Article › Peer Reviewed

TY - JOUR

T1 - Crystal structure of copper perchlorophthalocyanine analysed by 3D electron diffraction

AU - Gorelik, Tatiana E.

AU - Habermehl, Stefan

AU - Shubin, Aleksandr A.

AU - Gruene, Tim

AU - Yoshida, Kaname

AU - Oleynikov, Peter

AU - Kaiser, Ute

AU - Schmidt, Martin U.

PY - 2021/8

Y1 - 2021/8

KW - electron crystallography

KW - 3D electron diffraction

KW - continuous rotation

KW - copper phthalocyanine

KW - Pigment Green 7

KW - Rietveld refinement

KW - DFT plus MBD calculations

KW - QUANTITATIVE STRUCTURE DETERMINATION

KW - DENSITY-FUNCTIONAL THEORY

KW - X-RAY

KW - METAL-FREE

KW - PHTHALOCYANINES

KW - REFINEMENT

KW - RESOLUTION

KW - TOMOGRAPHY

KW - SCATTERING

KW - NICKEL

KW - DFT+MBD calculations

UR - http://www.scopus.com/inward/record.url?scp=85112046032&partnerID=8YFLogxK

U2 - 10.1107/S2052520621006806

DO - 10.1107/S2052520621006806

M3 - Article

SN - 2052-5192

VL - B77

SP - 662

EP - 675

JO - Acta Crystallographica. Section B: Structural science, crystal engineering and materials

JF - Acta Crystallographica. Section B: Structural science, crystal engineering and materials

IS - 4

ER -

Crystal structure of copper perchlorophthalocyanine analysed by 3D electron diffraction

Austrian Fields of Science 2012

Keywords

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