| Crystal data |
| Chemical formula |
[MnCl2(C12H20N2)2] |
[FeCl2(C12H20N2)2] |
[FeCl2(C18H28N2)2] |
[CoCl2(C18H28N2)2] |
|
M
r
|
510.44 |
511.35 |
671.59 |
674.67 |
| Crystal system, space group |
Orthorhombic, F
d
d2 |
Orthorhombic, F
d
d2 |
Monoclinic, P21/c
|
Monoclinic, P21/c
|
| Temperature (K) |
153 |
153 |
100 |
153 |
|
a, b, c (Å) |
17.6701 (10), 30.9809 (19), 10.1452 (5) |
17.5703 (9), 30.9167 (12), 10.1110 (6) |
13.905 (7), 12.500 (6), 20.742 (11) |
13.8898 (3), 12.5574 (3), 20.8394 (5) |
| α, β, γ (°) |
90, 90, 90 |
90, 90, 90 |
90, 92.24 (4), 90 |
90, 91.717 (2), 90 |
|
V (Å3) |
5553.8 (5) |
5492.5 (5) |
3603 (3) |
3633.17 (15) |
|
Z
|
8 |
8 |
4 |
4 |
| Radiation type |
Mo Kα |
Mo Kα |
Mo Kα |
Mo Kα |
| μ (mm−1) |
0.69 |
0.76 |
0.60 |
0.65 |
| Crystal size (mm) |
0.33 × 0.24 × 0.10 |
0.27 × 0.25 × 0.25 |
0.26 × 0.19 × 0.12 |
0.39 × 0.19 × 0.10 |
| |
| Data collection |
| Diffractometer |
Stoe IPDS 2T |
Stoe IPDS 2T |
Stoe IPDS 2T |
Stoe IPDS 2T |
| Absorption correction |
Numerical X-AREA and X-RED (Stoe & Cie, 2002 ▸) |
Numerical X-AREA and X-RED (Stoe & Cie, 2002 ▸) |
Numerical X-AREA and X-RED (Stoe & Cie, 2002 ▸) |
Numerical X-AREA and X-RED (Stoe & Cie, 2002 ▸) |
|
T
min, T
max
|
0.851, 0.932 |
0.837, 0.888 |
0.838, 0.908 |
0.807, 0.938 |
| No. of measured, independent and observed [I > 2σ(I)] reflections |
5371, 2432, 2203 |
5377, 2495, 2239 |
18866, 7036, 6355 |
22018, 7124, 5922 |
|
R
int
|
0.030 |
0.037 |
0.029 |
0.042 |
| (sin θ/λ)max (Å−1) |
0.617 |
0.616 |
0.617 |
0.617 |
| |
| Refinement |
|
R[F
2 > 2σ(F
2)], wR(F
2), S
|
0.026, 0.054, 0.98 |
0.033, 0.074, 1.01 |
0.033, 0.075, 1.14 |
0.035, 0.083, 1.03 |
| No. of reflections |
2432 |
2495 |
7036 |
7124 |
| No. of parameters |
148 |
148 |
395 |
394 |
| No. of restraints |
2 |
2 |
2 |
2 |
| 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) |
0.17, −0.16 |
0.21, −0.42 |
0.40, −0.33 |
0.65, −0.36 |
| Absolute structure |
Flack x determined using 804 quotients [(I
+)−(I
−)]/[(I
+)+(I
−)] (Parsons et al., 2013 ▸). |
Flack x determined using 846 quotients [(I
+)−(I
−)]/[(I
+)+(I
−)] (Parsons et al., 2013 ▸). |
– |
– |
| Absolute structure parameter |
0.005 (17) |
−0.03 (3) |
– |
– |
