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. 2021 Jan 30;10(2):135. doi: 10.3390/antibiotics10020135

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