| Crystal data |
| Chemical formula |
[Cu2(C2O4)(N3)2(C5H9N3)2] |
[Cu2(C2O4)(C2N3)2(C5H9N3)2] |
|
M
r
|
521.46 |
569.50 |
| Crystal system, space group |
Orthorhombic, P
b
c
a
|
Monoclinic, P21/c
|
| Temperature (K) |
173 |
173 |
|
a, b, c (Å) |
13.4419 (7), 7.4576 (4), 17.7662 (9) |
9.6816 (7), 14.7236 (11), 7.4604 (6) |
| α, β, γ (°) |
90, 90, 90 |
90, 90.112 (1), 90 |
|
V (Å3) |
1780.96 (16) |
1063.46 (14) |
|
Z
|
4 |
2 |
| Radiation type |
Mo Kα |
Mo Kα |
| μ (mm−1) |
2.44 |
2.05 |
| Crystal size (mm) |
0.17 × 0.11 × 0.11 |
0.32 × 0.27 × 0.18 |
| |
| Data collection |
| Diffractometer |
Bruker SMART CCD area detector |
Bruker SMART CCD area detector |
| Absorption correction |
Integration (SADABS; Bruker, 1998 ▸) |
Analytical (SADABS; Bruker, 1998 ▸) |
|
T
min, T
max
|
0.682, 0.835 |
0.340, 0.503 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
10138, 2027, 1768 |
6331, 2374, 2172 |
|
R
int
|
0.061 |
0.061 |
| (sin θ/λ)max (Å−1) |
0.650 |
0.650 |
| |
| Refinement |
|
R[F
2 > 2σ(F
2)], wR(F
2), S
|
0.026, 0.070, 1.08 |
0.034, 0.096, 1.15 |
| No. of reflections |
2027 |
2374 |
| No. of parameters |
145 |
198 |
| No. of restraints |
0 |
55 |
| 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 |
| Δρmax, Δρmin (e Å−3) |
0.78, −0.26 |
0.34, −0.42 |
