| Crystal data |
| Chemical formula |
(C6H11N2)2[Cu2(C2H3O2)4Cl2] |
(C6H11N2)[Cu2(C2H3O2)4Cl]·H2O |
(C6H11N2)[Cu2(C2H3O2)5] |
(C6H11N2)2[Cu2(C2H3O2)6][Cu2(C2H3O2)4(H2O)2]·2H2O |
|
M
r
|
656.49 |
527.89 |
533.47 |
1139.00 |
| Crystal system, space group |
Monoclinic, P21/n
|
Monoclinic, P21/c
|
Triclinic, P
|
Triclinic, P
|
| Temperature (K) |
150 |
198 |
198 |
198 |
|
a, b, c (Å) |
8.2264 (14), 12.956 (2), 13.173 (2) |
8.438 (4), 16.315 (7), 15.131 (7) |
8.0542 (9), 8.1633 (9), 16.7195 (19) |
7.9526 (5), 8.0951 (5), 18.8886 (11) |
| α, β, γ (°) |
90, 96.471 (3), 90 |
90, 96.53 (1), 90 |
98.126 (3), 94.745 (3), 92.964 (3) |
79.1770 (16), 78.9500 (16), 89.9320 (15) |
|
V (Å3) |
1395.0 (4) |
2069.7 (16) |
1082.3 (2) |
1171.46 (12) |
|
Z
|
2 |
4 |
2 |
1 |
| Radiation type |
Mo Kα |
Mo Kα |
Mo Kα |
Mo Kα |
| μ (mm−1) |
1.76 |
2.23 |
2.02 |
1.88 |
| Crystal size (mm) |
0.30 × 0.20 × 0.20 |
0.11 × 0.08 × 0.07 |
0.30 × 0.20 × 0.20 |
0.30 × 0.27 × 0.22 |
| |
| Data collection |
| Diffractometer |
Bruker Kappa APEX DUO CCD |
Bruker SMART APEX II CCD |
Bruker Kappa APEX DUO CCD |
Bruker Kappa APEX DUO CCD |
| Absorption correction |
Multi-scan (SADABS; Bruker, 2015 ▸) |
Multi-scan (SADABS; Bruker, 2015 ▸) |
Multi-scan (SADABS; Bruker, 2015 ▸) |
Multi-scan (SADABS; Bruker, 2015 ▸) |
|
T
min, T
max
|
0.620, 0.719 |
0.795, 0.858 |
0.583, 0.688 |
0.605, 0.685 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
9428, 4275, 2956 |
35161, 4229, 2504 |
11652, 4343, 3662 |
20914, 4775, 3593 |
|
R
int
|
0.039 |
0.105 |
0.025 |
0.037 |
| (sin θ/λ)max (Å−1) |
0.717 |
0.625 |
0.625 |
0.625 |
| |
| Refinement |
|
R[F
2 > 2σ(F
2)], wR(F
2), S
|
0.041, 0.094, 1.02 |
0.082, 0.265, 1.08 |
0.029, 0.107, 0.81 |
0.034, 0.101, 1.42 |
| No. of reflections |
4275 |
4229 |
4343 |
4775 |
| No. of parameters |
167 |
319 |
278 |
307 |
| No. of restraints |
0 |
93 |
0 |
72 |
| H-atom treatment |
H-atom parameters constrained |
H atoms treated by a mixture of independent and constrained refinement |
H-atom parameters constrained |
H atoms treated by a mixture of independent and constrained refinement |
| Δρmax, Δρmin (e Å−3) |
0.56, −0.56 |
1.70, −0.94 |
0.38, −0.46 |
0.40, −0.57 |
