SUPPORTING INFORMATION
Ionothermal synthesis and structural characterization of
[Cu(C4H6 N2)4]Br2 and [Ni(C4H6 N2)4]Br2
HONG WANGa, BIN LUb, JINGXIANG ZHAO b and QINGHAI CAI b,*
aSchool
of Chemical and Environmental Engineering, Harbin University of science and
technology, Harbin 150080, P. R. China
bSchool of Chemistry and Chemical Engineering, Harbin Normal University, No. 1 Shida Road
Limin development Zone, Harbin 150025, P. R. China,
e-mail: [email protected]
Figure S1. XRD of 1
Figure S2 XRD of 2
Fig. S3 ORTEP view of the basic units in compound 2
Fig. S4 Packing of the compound 2 in the unit cell
1101.9
0.4
2924.5
1630.1
1533.0
3429.4
3378.1
T (%)
0.6
3106.2
a
0.8
2850.6
1.0
0.2
0.0
0.0
4000
1586.3
1633.5
2887.6
3166.7
3246.8
3500
1028.1
0.2
3291.9
3480.7
0.4
3337.1
T (%)
0.6
2887.6
b
0.8
2947.1
1.0
3000
2500
2000
1500
1000
500
-1
wavenumber (cm )
Fig. S5 IR spectrum of compound 1 and 2
Fig. S6 IR spectrum of N-methylimidazole
Table S1. Selected bond lengths (Å) and angles (°) of compound 1
Bonds
Lengths
Bonds
Lengths
N(2)-C(7)
1.318(4)
N(2)-C(9)
1.375(4)
N(1)-C(4)
1.313(4)
N(1)-C(14)
1.366(4)
N(3)-C(4)
1.336(4)
N(3)-C(1)
1.356(4)
N(3)-C(13)
1.465(4)
C(7)-N(4)
1.340(4)
C(7)-H(7)
0.9300
N(4)-C(10)
1.364(4)
N(4)-C(12)
1.465(4)
C(1)-C(14)
1.340(4)
C(1)-H(1)
0.9300
C(4)-H(4)
0.9300
C(9)-C(10)
1.340(5)
C(9)-H(9)
0.9300
C(10)-H(10)
0.9300
C(12)-H(12A)
0.9600
C(12)-H(12B)
0.9600
C(12)-H(12C)
0.9600
C(13)-H(13A)
0.9600
C(13)-H(13B)
0.9600
C(13)-H(13C)
0.9600
C(14)-H(14)
0.9300
Bonds
Angel
Bonds
Angel
C(7)-N(2)-C(9)
105.2(3)
C(7)-N(2)-Cu(1)
126.1(2)
C(9)-N(2)-Cu(1)
128.6(2)
C(4)-N(1)-C(14)
105.7(2)
C(4)-N(1)-Cu(1)
127.5(2)
C(14)-N(1)-Cu(1)
125.9(2)
C(4)-N(3)-C(1)
107.1(3)
C(4)-N(3)-C(13)
126.2(3)
C(1)-N(3)-C(13)
126.8(3)
N(2)-C(7)-N(4)
111.0(3)
N(2)-C(7)-H(7)
124.5
N(4)-C(7)-H(7)
124.5
C(7)-N(4)-C(10)
107.6(3)
C(7)-N(4)-C(12 )
126.0(3)
C(10)-N(4)-C(12)
126.4(3)
C(14)-C(1)-N(3)
106.8(2)
N(1)-C(4)-N(3)
111.1(3)
C(10)-C(9)-N(2)
110.1(3)
Table S2. Selected bond lengths (Å) and angles (°) of compound 2
Bonds
Lengths
Bonds
Lengths
N(1)-C(3)
1.310(4)
N(1)-C(1)
1.367(4)
N(2)-C(3)
1.338(4)
N(2)-C(2)
1.351(5)
N(2)-C(4)
1.463(5)
N(3)-C(5)
1.320(4)
N(3)-C(6)
1.379(4)
N(4)-C(5)
1.342(4)
N(4)-C(7)
1.360(5)
N(4)-C(8)
1.466(4)
C(1)-C(2)
1.341(5)
C(6)-C(7)
1.352(5)
Bonds
Angle
Bonds
Angle
C(3)-N(1)-C(1)
105.8(3)
C(3)-N(1)-Ni(1)
127.4(2)
C(1)-N(1)-Ni(1)
126.0(2)
C(3)-N(2)-C(2)
107.3(3)
C(3)-N(2)-C(4)
126.0(3)
C(2)-N(2)-C(4)
126.7(3)
C(5)-N(3)-C(6)
105.6(3)
C(5)-N(3)-Ni(1)
126.1(2)
C(6)-N(3)-Ni(1)
128.3(2)
C(5)-N(4)-C(7)
107.7(3)
C(5)-N(4)-C(8)
126.0(3)
C(7)-N(4)-C(8)
126.3(3)
C(2)-C(1)-N(1)
109.2(3)
C(1)-C(2)-N(2)
106.8(3)
N(1)-C(3)-N(2)
110.9(3)
N(3)-C(5)-N(4)
111.0(3)
C(7)-C(6)-N(3)
109.4(3)
C(6)-C(7)-N(4)
106.4(3)