Empirical formula

Formula weight

Temperature

Wavelength

Crystal system

Space group

Unit cell dimensions

C65H56Eu1N1O8

1162.06

90 K

0.71073 Å

Monoclinic

Cc (no. 9).

a = 23.5955 (18) Å

b = 23.5312 (18) Å

c = 19.1829 (15) Å

β = 91.4500 (10)˚

C65H59EuNO10

1166.09

90 K

0.71073 Å

Monoclinic

P21/n (no. 14)

a = 16.128 (4) Å

b = 18.411 (5) Å

c = 18.912 (5) Å

β = 92.992 (3)˚

C71H62Eu1N1O8

1209.18

90 K

0.71073 Å

Monoclinic

P21/n (no. 14)

a = 11.0948 (5) Å

b = 19.7927 (9) Å

c = 26.8063 (12) Å

β = 99.06 (3)˚

Cell volume

Z

Density (calculated)

Absorption coefficient

F (000)

Crystal size (mm)

Theta range for data collection

Index ranges

10647.5 (14) Å3

8

1.450 g/cm3

1.242 mm−1

4760

0.300 × 0.300 × 0.250

1.22˚ to 25.24˚

5608 (3) Å3

4

1.376 g/cm3

1.179 mm−1

2396

0.300 × 0.300 × 0.250

1.54˚ to 20.48˚

5813.1 (5) Å3

4

1.382 g/cm3

1.138 mm−1

2488

0.300 × 0.300 × 0.250

1.28˚ to 28.78˚

Reflections collected

Independent reflections

Reflections [I > 2sigma (I)]

Completeness to theta˚

Absorption correction

Refinement method

−30 ≤ h ≤ 30,

−31 ≤ k ≤ 31,

−24 ≤ l ≤ 24

62,052

25148 [R(int) = 0.0276]

−14 ≤ h ≤ 15,

−26 ≤ k ≤ 26,

−35 ≤ l ≤ 35

5574

33250 [R(int) = 0.095]

−14 ≤ h ≤ 15,

−26 ≤ k ≤ 26,

−35 ≤ l ≤ 35

68,014

14274 [R(int) = 0.0321]

Data/restraints/parameters

Goodness-of-fit on F2

Final R1 indices [I > 2sigma (I)]

wR2 indices (all data)

Largest diff. peak and hole

99.9%

Empirical

Full-matrix LS on F2

5575/2/1351

1.094

R1 = 0.0344

wR2 = 0.0986

1.307 and −1.022 eÅ−3

99.7%

Empirical

Full-matrix LS on F2

5574/0/695

1.251

R1 = 0.0717

wR2 = 0.2106

2.51 and −1.62 eÅ−3

94.3%

Empirical

Full-matrix LS on F2

14274/0/730

1.100

R1 = 0.0258

wR2 = 0.0798

0.703 and −0.784 eÅ−3