Configuration

Pure

Model 1

Model 2

Model 3

Model 4

d₁/Å

1.867

1.939

1.864

1.861

1.877

ψ₁/˚

102.422

101.073

102.850

105.006

101.949

ψ₂/˚

117.903

115.837

113.654

113.002

108.389