β"-(ET)₄[(H₃O)Cr(C₂O ₄)₃]₂[(H₃O)₂]₅H₂O

Conditions

Material	β"-(ET)₄[(H₃O)Cr(C₂O ₄)₃]₂[(H₃O)₂]₅H₂O
Temperature	150.0 K
Pressure	Ambient

Parameters

a	10.2212 Å	α	88.433 °
b	11.2266 Å	β	88.391 °
c	24.0998 Å	γ	63.780 °
Volume		2479.562 Å³

Symmetry

Cell setting	Triclinic
Spacegroup	P -1
# Symmetry ops.	2

3D Crystal Structure

Color

Model

Display

Molecule # 1
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Molecule # 11
Molecule # 12
Molecule # 13
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Molecule # 15
Molecule # 16

None detected

Molecule # 17
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Molecule # 20

Molecule # 21
Molecule # 22
Molecule # 23
Molecule # 24

Stoichiometry error

Molecule # 25
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Molecule # 31
Molecule # 32
Molecule # 33
Molecule # 34

2D Electronic Structure

Filling used: 0.750 Warning! This filling was set automatically and may need to be checked.

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

2D Crystal Structure

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Show hoppings (6-311G)
Show labels (6-311G)

Associated measurements (1)