| 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 |