Compound | 1 |
Empirical formula | C18 H30 N4NiO8 |
Formula weight | 489.17 |
T (K) | 198 (2) |
Space group | P212121 |
Wavelength (Å) | 0.71073 |
Crystal system | Orthorhombic |
Unit cell dimensions |
|
a (Å) | 9.7812 (4) |
b (Å) | 10.7564 (4) |
c (Å) | 21.3721 (8) |
α (˚) | 90 |
β (˚) | 90 |
γ (˚) | 90 |
Volume (Å3) | 2248.57 (15) |
Z | 4 |
DX (g∙cm−3) | 1.445 |
µ (mm−1) | 0.91 |
F (000) | 1032 |
Crystal size (mm3) | 0.24 × 0.22 × 0.14 |
θ range (˚) | 2.7 - 29.8 |
Miller Index range | V12 ≤ h ≤ 13, −14 ≤ k ≤ 15, −30 ≤ l ≤ 29 |
Reflections collected | 179,527 |
Independent reflections (Rint) | 6570 [R(int) = 0.030] |
Completeness to θmax (%) | 99.9 |
Max. and min. transmission | 0.811 and 0.883 |
Data/restraints/parameter | 6570/7/322 |
Goodness-of-fit (GOF) on F2 | 1.111 |
Final R indices [I > 2σ (I)] | R1 = 0.019, wR2 = 0.048 |
R indices (all data) |
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