Compound 1 | Compound 2 | |
Crystal system, | Orthorhombic | Triclinic |
a = 5.2177 (6) Å alpha = 90.00 deg | a = 9.2380 (10) Å alpha = 102.004 (1) deg | |
Unit cell dimensions | b = 13.903 (2) Å beta = 90.00 deg | b = 9.8790 (10) Å beta = 92.356 (1) deg |
c = 21.121 (2) Å gamma = 90.00 deg | c = 12.6360 (10) Å gamma = 90.779 (1) deg | |
Volume | 1532.2 (3) Å3 | 1126.7 (2) Å3 |
Z, calculated density | 4, 1.259 mg/m3 | 2, 1.423 mg/m3 |
Absorption coefficient | 0.080 mm−1 | 0.446 mm−1 |
Space group | P212121 | P-1 |
Limiting indices | −6 ≤ h ≤ 6, −18 ≤ k ≤ 17, −27 ≤ l ≤ 27 | −11 ≤ h ≤ 11, −11 ≤ k ≤ 11, −15 ≤ l ≤ 15 |
Reflections collected/unique | 15398/3527 [R (int) = 0.0965] | 12751/4131 [R (int) = 0.0346] |
Completeness to theta = 25.10 | 99.90% | 99.90% |
Max. and min. transmission | 0.9941 and 0.9745 | 0.9304 and 0.8937 |
Goodness-of-fit on F2 | 0.981 | 0.963 |
Extinction coefficient | None | None |
Largest diff. peak and hole | 0.141 and −0.115 e. Å−3 | 0.357 and −0.300 e. Å−3 |