κ-(ET)₂Cu[N(CN)₂]Cl

Conditions

Material	κ-(ET)₂Cu[N(CN)₂]Cl
Temperature	173.0 K
Pressure	Ambient

Parameters

a	12.9332 Å	α	90 °
b	29.8053 Å	β	90 °
c	8.5306 Å	γ	90 °
Volume		3288.358 Å³

Symmetry

Cell setting	Orthorhombic
Spacegroup	P n m a
# Symmetry ops.	8

3D Crystal Structure

Color

Model

Display

Molecule # 1
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Molecule # 19
Molecule # 20

None detected

2D Electronic Structure

Filling used: 0.750

Band path
Show lattice
Show BZ

6-311G*
3-21G
6-311G
6-31G
6-31G*
def2-SVP

2D Crystal Structure

Show lattice
Show hoppings (6-311G)
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Associated measurements (7)