Table 1 Crystal data and structure refinement details for (C₄H₇N₂)₂[CoCl₄] (1) and (C₄H₇N₂)₂[ZnCl₄] (2)

Chemical formula

(C₄H₇N₂)₂[CoCl₄]

(C₄H₇N₂)₂[ZnCl₄]

Compound weight

366.96

373.40

Temperature (K)

100 (2)

100 (10)

Crystal system

Monoclinic

Monoclinic

Space group

C2/c

C2/c

a (Å)

26.9330 (17)

26.871 (8)

b (Å)

7.8842 (2)

7.9031 (18)

c (Å)

15.0925 (5)

15.077 (5)

β (°)

111.001 (5)

111.23 (5)

V (ų)

2991.9 (2)

2984.5 (15)

Z

8

8

ρ_cal (g cm⁻³)

1.629

1.662

Crystal dimension, mm³

0.45 × 0.37 × 0.13

0.50 × 0.42 × 0.12

Habit-colour

Block, blue

Block, transparent

μ (mm⁻¹)

1.85

2.35

θ range (deg)

θ_min = 2.7, θ_max = 30.7

θ_min = 2.7, θ_max = 30.7

Index ranges

− 26 ≤ h ≤ 38

− 38 ≤ h ≤ 29

− 10 ≤ k ≤ 10

− 9 ≤ k ≤ 11

− 21 ≤ l ≤ 21

− 21 ≤ l ≤ 21

Unique data

4253

4197

Observed data [I > 2σ(I)]

3254

3731

F(000)

1480

1504

R₁

0.053

0.050

wR₂

0.132

0.121

GooF

1.012

1.17

No. param

156

157

Transmission factors

T_min = 0.334; T_max = 0.804

T_min = 0.387; T_max = 0.766

Largest difference map hole

Δρmin = − 1.11, Δρmax = 1.44

Δρmin = − 0.63, Δρmax = 2.36