Table 3 Crystallographic data for compounds 2a-b, 3, 3a-b, and 4.

Empirical formula

C₇₂H₁₆₈Ag₂₀O₂₄P₁₂PdS₂₄

C₉₆H₂₁₆Ag₂₀O₂₄P₁₂Pd S₂₄

C₇₂H₁₆₈Ag₂₀O₂₄P₁₂Pd Se₂₄

C₇₂H₁₆₈Ag₂₀O₂₄P₁₂PdSe₂₄

C₇₂H₁₆₈Ag₂₀O₂₄P₁₂PdSe₂₄

Crystal system, space group

Triclinic, P\(\bar{1}\)

Hexagonal, P 6₃

Monoclinic, Pn

Trigonal, P3₁c

Monoclinic, P2₁

a (Å)

15.8599(12)

19.2447(7)

17.9414(11)

22.5252(9)

15.9494(6)

b (Å)

18.0946(14)

19.2447(7)

26.7432(15)

22.5252(9)

29.3080(12)

c (Å)

29.382(2)

26.1772(12)

18.8174(11)

40.401(2)

16.4792(7)

α (°)

82.1487(15)

90

90

90

90

β (°)

77.2002(15)

90

113.2950(10)

90

107.4809(10)

γ (°)

66.2229(13)

120

90

120

90

V(ų)

7514.0(10)

8396.1(7)

8292.8(8)

17752.5(17)

7347.4(5)

Z

2

2

2

4

2

ρ_calcd, g·cm⁻³

2.132

2.041

2.382

2.226

2.689

μ, mm⁻¹

3.166

2.841

7.834

7.319

8.842

Temperature, K

150(2)

100(2)

150(2)

150(2)

100(2)

θ_max, deg./completeness, %

25.00/95.8

24.999/100

25.00/99.6

24.99/99.9

24.99 / 99.9

Reflections collected/unique

44,057/25,382 [R(int) = 0.0237]

58,687/7962 [R(int) = 0.1157]

48,427/22,452 [R(int) = 0.0217]

113,818/ 20,789 [R(int) = 0.0863]

48,724/25,686 [R(int) = 0.0512]

Restraints/parameters

459/1432

582/680

818/1550

712/967

456/1440

R1^a, wR2^b [I > 2σ(I)]

0.0668,0.1355

0.0798, 0.1909

0.0342, 0.0887

0.1125,0.3046

0.0399,0.0971

R1^a, wR2^b (all data)

0.0867,0.1511

0.1036, 0.2320

0.0387, 0.0919

0.1291,0.3191

0.0477,0.1046

Absolute structure parameter

–

0.40(18)

0.037(9)

0.18(3)

0.327(9)

Goodness of fit on F²

1.084

1.102

1.031

1.037

1.023

Largest diff. peak and hole, e/Å ³

1.897 and −1.680

1.686 and −1.393

1.572 and −0.866

2.540 and −2.782

1.750 and −1.625