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
|
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) |
V (Å3) |
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 (Å−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) |
– |
– |
– |