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% |