Compounds

1

2

Formula

C18 H15 N3 O11 Zn

C18 H15 Cd N3 O11

Fw (g mol−1)

514.7

561.72

Crystal system

monoclinic

triclinic

space group

C 2/c

P-1

a(Å)

13.4880(14)

7.0409(4)

b(Å)

17.1903(17)

9.2622(5)

c(Å)

16.6748(16)

15.0016(9)

α(°)

90

91.921(4)

β(°)

103.071(2)

97.366(4)

γ(°)

90

105.806(4)

V(Å3)

3766.1(6)

931.15(9)

Z

8

2

Dcalc(g·cm−3)

1.805

1.939

μ(mm−1)

1.379

1.241

F(000)

2072

540

q range (˚)

1.95~28.28

2.29~25.04

Limiting indices

−17 ≤ h ≤ 16

−22 ≤ k ≤ 21

−22 ≤ l≤ 21

−8 ≤ h ≤ 8

−11 ≤ k ≤ 9

−17 ≤ l ≤ 17

Refl. Collected/unique

13720/4663

5286/3280

Rint

0.0176

0.0373

Data/restraints/parameters

4663/0/318

3280/4/300

GOF

1.116

1.032

R1 [I > 2σ(I)]a,b

0.0329

0.0336

wR2 [I > 2σ(I)]

0.0967

0.0879

R1 (all data)a,b

0.0404

0.0416

wR2 (all data)

0.1104

0.0919

CCDC No.

1504738

1504739