Table 1 Summary of crystal data, intensity measurements and refined parameters for [C₁₂H₁₇N₂]₂CdCl₄ and [C₆H₁₀N₂]₂[Cd₃Cl₁₀] compounds.

Formula Formula weight (g.mol^-1)

[C₁₂H₁₇N₂]₂CdCl₄ 632.75

[C₆N₂H₁₀]₂Cd₃Cl₁₀ 455

Color/shape

yellow/parallelepiped

red/parallelepiped

Crystal dimensions (mm³)

0.58 × 0.38 × 0.25

0.57 × 0.4 × 0.3

Crystal system

triclinic

triclinic

Space group

$P\overline{1}$

$P\overline{1}$

Cell parameters from 25

12 < θ(°) < 15

11 < θ° < 16

a = 9.687 (8) Å,

a = 6.826 (5)Å,

b = 9.912 (9) Å,

b = 9.861 (7)Å

c = 15.40 (2) Å

c = 10.344 (3)Å

α = 79.4 (1)°,

α = 103.50 (1)°

β = 88.73 (8)°

β = 96.34 (4)°

γ = 77.82 (7)°

γ = 109.45 (3)°

V = 1420 ų

V = 624.8 (8) ų

Z = 2, μ = 1.164 mm^-1

Z = 2, μ = 3.609 mm^-1

Intensity measurements

Temperature (K)

293(2)

293(2)

Radiation, λ (Å), monochromator

MoK_α, 0.71069, graphite plate

MoK_α, 0.71069, graphite plate

Scan angle (°)

0.8 + 0.35 tg(θ)

0.8 + 0.35 tg(θ)

2θ range (°)

1.5 – 27

2 – 27

Range of h, k, l

-12→12, -2→12, 0→19

-8→8, -12→12, -13→13

Standards reflections

(6 4 0) and (2 6 0)

(-1 6 1) and (-1 5 1)

Frequency

60 mn

Reflections collected/unique

4541/4439 (Rint = 0.0219)

5436/2718 (Rint = 0.0019)

Structure determination

Absorption correction

wasn't applied

ABSDIF T_min/max: 0.1611/0.4206

Structure resolution

Patterson methods SHELXS86

Patterson methods SHELXS86

Structure refinement with

SHELXL-97

SHELXL-97

Observed reflections [Fo > 2σ(Fo)]

3823

2371

Refinement

F² full matrix

F² full matrix

Refined parameters

435

174

Goodness of fit

1.035

1.565

Final R and Rw

0.029, 0.081

0.053, 0.128

Final R and Rw for all data

0.0378, 0.0864

0.0615, 0.1315

Largest feature diff. map

0.668, -0.453 e Å^-3

3.256, -2.636 e Å^-3