Parameters measured

3a

3b

3c

3d

Empirical formula

C45H30Eu1F12NO8

C50H33Eu F12N2O8

C44H35Eu1 F12N2O8

C45H35Eu1F12NO8

Formula weight

1092.67

1169.8

1099.71

1097.71

Crystal shape, color

Prism, colorless

Prism, colorless

Prism, colorless

Prism, colorless

Temperature

150 K

120 K

120 K

120 K

Radiation type

Mo Kα

Mo Kα

Mo Kα

Mo Kα

Wavelength (Å)

0.71073

0.71073

0.71073

0.71073

Crystal system

Monoclinic

Monoclinic

Monoclinic

Monoclinic

Space group

P21/n

P2/n

C2/c

P21/n

Unit cell dimensions

a = 11.144 (11) Å

a = 12.711 (4) Å

a = 36.894 (5) Å

a = 11.547 (19) Å

b = 22.034 (2) Å

b = 12.672 (4) Å

b = 22.068 (3) Å

b = 21.886 (4) Å

c = 18.770 (2) Å

c = 14.755 (5) Å

c = 21.916 (3) Å

c = 18.005 (3) Å

β = 107.112 (1)˚

β = 99.126 (3)˚

β = 92.682 (1)˚

β = 99.550 (2)˚

Cell volume

4405.1 (8) Å 3

2360.9 (13) Å 3

17,825 (1) Å 3

4487.1 (13) Å 3

Z

4

2

16

4

Calculated density

1.648 g/cm3

1.643 g/cm3

1.639 g/cm3

1.625 g/cm3

Absorption coefficient

1.53 mm−1

1.433 mm−1

1.512 mm−1

1.501 mm−1

F (000)

2168

1164

8768

2188

Crystal size (mm)

0.35 × 0.35 × 0.10

0.20 × 0.15 × 0.10

0.43 × 0.25 × 0.10

0.15 × 0.15 × 0.10

T Theta range for data collection

1.5˚ to 29˚

1.54˚ to 20.48˚

1.075˚ to 25.027˚

1.48˚ to 24.97˚

Limiting Indices

−14 ≤ h ≤ 14,

−15 ≤ h ≤ 15,

−43 ≤ h ≤ 43,

−13 ≤ h ≤ 13,

−29 ≤ k ≤ 29,

−15 ≤ k ≤ 15,

−26 ≤ k ≤ 26,

−25 ≤ k ≤ 25,

−24 ≤ l ≤ 24

−17 ≤ l ≤ 17

−26 ≤ l ≤ 26

−21 ≤ l ≤ 21

Reflections

52,471/11,725

4258/20,234

15,738/84,697

7862/41,761

collected/unique

[R(int) = 0.037]

[R(int) = 0.084]

[R(int) = 0.0321]

[R(int) = 0.049]

Completeness to theta ˚

100%

99.0%

99.9%

99.8%