Table 1 Crystallographic results for thiorene, mithrene and tethrene

Formula

AgSC₆H₅

AgSeC₆H₅

AgTeC₆H₅

Molecular weight

217.03

263.93

312.57

Space group

Cc

C2/c

C2/c

a (Å)

7.290

5.938

5.900

b (Å)

5.879

7.325

7.424

c (Å)

28.072

29.202

30.258

α (°)

90

90

90

β (°)

93.80

95.44

97.686

γ (°)

90

90

90

V (ų)

1,200.6

1,264.3

1,313.3

Z

8

8

8

ρ_calc (g cm⁻³)

2.401

2.773

3.162

XFEL source

LCLS

SACLA

LCLS

λ (Å)

1.24808

1.03207

1.24808

T (K)

298

298

298

d_min (Å)

1.35

1.2

1.35

μ (mm⁻¹)

16.19

10.68

32.56

Frames

1,426,595

492,509

1,187,208

Crystals

7,677

6,577

9,901

Time (h)

3.3

4.5

2.7

Data

265

372

289

Restraints

29

8

2

Parameters

53

35

29

R₁ (obs) (%)

10.5

11.3

10.6

R₁ (all) (%)

12.1

13.2

13.1

S

1.10

1.12

1.13

Peak, hole (e⁻ Å⁻³)

0.94, −0.71

2.10, −1.67

1.93, −1.25

⟨σ(d_Ag–E)⟩ (Å)

0.039

0.010

0.011

⟨Δ(d_Ag–E)⟩ (Å)

n/a

0.015

n/a