Formula:

C30 H28 Cl2 N2 Zn

Crystal density:

1.36 g/cc

Color:

red

OMDB ID:

20879

COD ID:

4085534

Publication details:

Aggregation-Induced Emission of Bis(imino)acenaphthene Zinc Complexes: Photophysical Tuning via Methylation of the Flanking Aryl Substituents

Publisher:

Organometallics, 2015, vol: 34, page: 2422

Version History:

No changes

Crystallographic Information

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a 8.8029(5)
b 16.3249(9)
c 9.4998(5)
α 90
β 99.664(5)
γ 90
Download .cif file View in COD

Symmetry properties

Hermann-Mauguin symmetry space group P 1 21 1
Hall symmetry space group P 2yb
Space group IT number 4

Band structure and density of states

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* Warning! DFT is not very accurate in estimation of band gaps and tends to underestimate them.
Indirect band gap DFT GGA* (eV) 1.5847
Magnetization density (μB/Å3) 0
Special points in the Brillouin zone
Density of states filters
Specie l m

Input files for DFT calculations (VASP)

Self-consistent
INCAR.gz POSCAR.gz KPOINTS.gz
Band structure
INCAR.gz POSCAR.gz KPOINTS.gz
Density of states
INCAR.gz POSCAR.gz KPOINTS.gz

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