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. 2018 Aug 24;74(Pt 9):1344–1357. doi: 10.1107/S2056989018011544
  DUJZAK JEVNAA LUDFUL NUQVEB
Crystal data
Chemical formula [Ag(C9H7NO)2](C7H3N2O7) [Zn(C3H4N2)4](C7H3N2O7)2 C7H4N2O7·C12H8N2 C6H9N2 +·C7H3N2O7
M r 625.30 791.93 408.33 336.27
Crystal system, space group Monoclinic, P21 Monoclinic, C2/c Monoclinic, P21/a Triclinic, P Inline graphic
Temperature (K) 293 293 293 100
a, b, c (Å) 9.0154 (18), 7.6122 (15), 17.138 (3) 25.0809 (15), 6.7251 (4), 18.9145 (10) 14.8002 (15), 7.4029 (16), 16.0091 (16) 5.8673 (7), 8.0991 (9), 15.2437 (17)
α, β, γ (°) 90, 104.38 (3), 90 90, 97.658 (6), 90 90, 96.395 (8), 90 86.844 (3), 84.252 (3), 81.209 (3)
V3) 1139.3 (4) 3161.9 (3) 1743.1 (5) 711.69 (14)
Z 2 4 4 2
Radiation type Mo Kα Mo Kα Mo Kα Mo Kα
μ (mm−1) 0.95 0.87 0.12 0.13
Crystal size (mm) 0.20 × 0.15 × 0.11 0.20 × 0.18 × 0.10 0.36 × 0.34 × 0.26 0.29 × 0.14 × 0.08
 
Data collection
Diffractometer Bruker SMART CCD area-detector Bruker APEXII area-detector Enraf–Nonius CAD-4 Bruker APEX DUO CCD area-detector
Absorption correction Multi-scan (SADABS; Bruker, 1999) Multi-scan (SADABS; Bruker, 2009)
T min, T max 0.846, 0.918 0.963, 0.990
No. of measured, independent and observed [I > 3σ(I)] reflections 10841, 4602, 4225 20634, 3635, 2152 8396, 4202, 1587 12709, 4943, 3677
R int 0.022 0.058 0.056 0.023
(sin θ/λ)max−1) 0.651 0.651 0.661 0.756
 
Refinement
R factors and goodness of fit R[F > 3σ(F)] = 0.023, wR(F) = 0.053, S = 1.34 R[F > 3σ(F)] = 0.036, wR(F) = 0.075, S = 1.23 R[F > 3σ(F)] = 0.044, wR(F) = 0.083, S = 1.08 R[F > 3σ(F)] = 0.042, wR(F) = 0.109, S = 2.06
No. of reflections 4602 3635 4202 4943
No. of parameters 356 244 274 222
No. of restraints 0 0 0 0
H-atom treatment H atoms treated by a mixture of independent and constrained refinement H atoms treated by a mixture of independent and constrained refinement H atoms treated by a mixture of independent and constrained refinement H atoms treated by a mixture of independent and constrained refinement
Δρmax, Δρmin (e Å−3) 0.44, −0.30 0.23, −0.23 0.29, −0.31 0.40, −0.32
Absolute structure 1800 of Friedel pairs used in the refinement
Absolute structure parameter 0.004 (17)