Table 2.
Crystallographic data for [Ag(NO3)(NC10H14NC6H4)] (6a) and SO2NC10H14NC6H4CH3 (11).
[Ag(NO3)(NC10H14NC6H4)] | SO2NC10H14NC6H4CH3-4 | |
---|---|---|
Empirical formula | Ag2N6C32H36O6 | N4C34H40O4S2 |
Formula weight | 816.42 | 632.82 |
Crystal system | Monclinic | Orthorhombic |
Space group | C2 | P212121 |
Unit cell dimensions | ||
a/Å | 28.720 (5) | 8.9160 (3) |
b/Å | 7.3319 (9) | 12.0253 (4) |
c/Å | 7.2379 (9) | 14.8492 (4) |
α/deg | 90 | 90 |
β/deg | 95.29 (1) | 90 |
γ/deg | 90 | 90 |
Volume (Å−3) | 1517.6 (4) | 1592.10 (9) |
Z, Dcal (g/cm3) | 2, 1.787 | 2, 1.320 |
Absorption coefficient (mm−1) | 1.347 | 0.212 |
F(000) | 824 | 672 |
Crystal size (mm3) | 0.3 × 0.2 × 0.3 | 0.2 × 0.3 × 0.2 |
θ range for data collection (deg) | 1.4 to 33.0 | 2.2 to 32.6 |
Index ranges | −37 ≤ h ≤ 43, −8 ≤ k ≤ 11, −11 ≤ l ≤ 11 | −13 ≤ h ≤ 13, −16 ≤ k ≤ 18, −22 ≤ l ≤ 22 |
Reflections collected / unique | 7272/4840 [R(int) = 0.048] | 22635/5803 [R(int) = 0.050] |
Data/restraints/parameters | 4840/1/211 | 5803/0/202 |
Final R (observed) | R1 = 0.065, wR2 = 0.19 | R1 = 0.034, wR2 = 0.092 |