Supplementary Material
Hydrothermal synthesis, structural investigation and magnetic properties of 2D
layered lanthanide (Ln = Pr, Eu, Gd, Tb and Er) coordination polymers possessing
infinite 1D nanosized cavities
SHAHZAD SHARIF*, ONUR ŞAHIN, BUSHRA KHAN and ISLAM ULLAH KHAN
Table S1. Selected bond distances (Å) and angles () in 1-5 (Ln = Er in 1, Ln = Gd in 2, Ln = Tb in 3, Ln
= Eu in 4 and Ln = Pr in 5).
1
2
3
4
5
Ln-O1
2.307(3)
2.356(4)
2.336(2)
2.360(3)
2.356(5)
Ln-O3
2.486(3)
2.528(4)
2.521(2)
2.543(3)
2.537(4)
Ln-O5
2.367(3)
2.401(4)
2.385(2)
2.402(3)
2.384(4)
Ln-O7
2.390(3)
2.426(4)
2.4089(19)
2.430(3)
2.426(4)
Ln-O6ii
2.296(3)
2.338(4)
2.320(2)
2.337(3)
2.334(4)
Ln-O8i
2.236(3)
2.289(4)
2.2781(19)
2.306(3)
2.291(4)
Ln-N1
2.459(3)
2.512(5)
2.496(2)
2.526(3)
2.505(5)
Ln-N2
2.442(3)
2.493(5)
2.481(2)
2.509(3)
2.499(5)
O1-Ln-O5
77.72(10)
78.49(14)
78.40(7)
78.71(9)
78.78(15)
O1-Ln-O7
145.31(9)
147.21(14)
146.44(7)
147.38(9)
146.82(15)
O5-Ln-O7
130.24(10)
128.09(14)
128.74(7)
127.67(9)
128.01(15)
O1-Ln-N2
136.25(10)
136.48(15)
136.63(7)
136.69(10)
136.59(16)
O5-Ln-N2
64.64(10)
63.34(15)
63.89(7)
63.26(9)
63.38(16)
O7-Ln-N2
65.60(10)
64.75(14)
64.85(7)
64.41(10)
64.63(16)
O1-Ln-N1
66.22(11)
65.07(16)
65.52(7)
64.87(10)
65.71(16)
O5-Ln-N1
77.40(11)
78.15(15)
77.84(7)
78.42(10)
78.42(16)
O7-Ln-N1
132.11(11)
132.08(15)
132.18(7)
132.19(10)
131.79(16)
O7-Ln-O3
77.08(9)
77.28(14)
77.37(7)
77.48(9)
77.26(15)
O1-Ln-O3
129.36(10)
127.33(14)
128.02(7)
127.03(9)
127.74(15)
O5-Ln-O3
89.83(10)
89.11(15)
89.14(7)
88.94(10)
89.14(15)
N2-Ln-N1
121.91(11)
121.68(16)
121.79(8)
121.89(10)
121.73(16)
Symmetry codes: (i) -x, y+1/2, -z+1/2; (ii) x, -y+3/2, z-1/2 for 1; (i) −x+1, y−1/2, −z+1/2; (ii) x, −y+3/2,
z−1/2 for 2; (i) -x+1, y-1/2, -z+1/2; (ii) x, -y+3/2, z-1/2 for 3; (i) -x+1, y-1/2, -z+1/2; (ii) x, -y+1/2, z-1/2
for 4; (i) -x+1, y-1/2, -z+3/2; (ii) x, -y+3/2, z+1/2 for 5.
1
Table S2. Hydrogen-bond parameters for 1-5 (Å, ).
D-H···A
D-H
H···A
D···A
D-H···A
0.82
0.93
0.93
0.93
0.93
0.93
2.55
2.45
2.40
2.40
2.46
2.43
3.295 (5)
3.373 (6)
3.110 (5)
3.306 (5)
3.340 (5)
3.295 (5)
152
172
133
165
159
156
0.82
0.93
0.93
0.93
0.93
0.93
2.57
2.48
2.39
2.47
2.49
2.47
3.312 (7)
3.408 (8)
3.107 (8)
3.373 (7)
3.359 (7)
3.349 (7)
152
173
133
165
156
157
0.82
0.93
0.93
0.93
0.93
0.93
2.59
2.40
2.48
2.44
2.47
2.45
3.336 (3)
3.106 (4)
3.403 (4)
3.342 (3)
3.350 (4)
3.324 (4)
152
132
173
165
157
156
0.82
0.93
0.93
0.93
0.93
0.93
2.58
2.50
2.40
2.47
2.49
2.48
3.345 (4)
3.421 (5)
3.104 (5)
3.379 (5)
3.359 (5)
3.355 (5)
156
173
133
165
155
157
0.82
0.93
0.93
0.93
0.93
0.93
2.58
2.49
2.40
2.45
2.49
2.47
3.330 (7)
3.416 (9)
3.112 (9)
3.361 (8)
3.354 (8)
3.340 (8)
153
173
133
165
155
156
1
O2-H2A···O4v
C2-H2···O4v
C3-H3···O5vi
C9-H9···O1iii
C10-H10···O7vii
C11-H11···O7iv
2
O2-H2A···O4v
C2-H2···O4v
C3-H3···O5vi
C9-H9···O1viii
C10-H10···O7vii
C11-H11···O7iii
3
O2-H2A···O4v
C3-H3···O5vi
C4-H4···O4v
C9-H9···O1iii
C10-H10···O7vii
C11-H11···O7iv
4
O2-H2A···O4v
C2-H2···O4v
C3-H3···O5vi
C9-H9···O1ii
C10-H10···O7vii
C11-H11···O7i
5
O2-H2A···O4v
C2-H2···O4v
C3-H3···O5vi
C9-H9···O1iii
C10-H10···O7vii
C11-H11···O7iv
Symmetry codes: (iii) x, -y+3/2, z+1/2; (iv) -x, y-1/2, -z+1/2; (v) x, y+1, z; (vi) -x+1, -y+2,
-z+1; (vii) x, -y+1/2, z+1/2 for 1; (iii) -x+1, y+1/2, -z+1/2; (v) x, y-1, z;
(vi) -x+2, -y+1, -z+1; (vii) x, -y+5/2, z+1/2; (viii) x, -y+3/2, z+1/2 for 2; (iii) x, -y+3/2,
z+1/2; (iv) -x+1, y+1/2, -z+1/2; (v) x, y-1, z; (vi) -x+2, -y+1, -z+1; (vii) x, -y+5/2, z+1/2 for
3; (i) -x+1, y+1/2, -z+1/2; (ii) x, -y+1/2, z+1/2; (v) x, y-1, z; (vi) -x+2, -y, -z+1;
(vii) x, -y+3/2, z+1/2 for 4; (iii) x, -y+3/2, z-1/2; (iv) -x+1, y+1/2, -z+3/2; (v) x, y-1, z;
(vi) -x, -y+1, -z+1; (vii) x, -y+5/2, z-1/2 for 5.
2
Table S3. π-π Interaction parameters for 1-5 (Å).
Cg(I)
1
Cg(1)
Cg(2)
2
Cg(1)
Cg(2)
3
Cg(1)
Cg(2)
4
Cg(1)
Cg(2)
5
Cg(1)
Cg(2)
Cg(J)
Cg–Cg
Perpendicular distance
Cg(1)vi
Cg(2)viii
3.4295(17)
3.3365(17)
3.821(2)
3.472(2)
Cg(1)vi
Cg(2)ix
3.451(2)
3.386(2)
3.825(4)
3.526(3)
Cg(1)vi
Cg(2)viii
3.4421(12)
3.3699(12)
3.8210(17)
3.5115(16)
Cg(1)vi
Cg(2)viii
3.4622(16)
3.3962(15)
3.826(2)
3.540(2)
Cg(1)vi
Cg(2)viii
3.453(3)
3.380(3)
3.822(4)
3.526(4)
Cg(1): N1-C1-C2-C3-C4-C5; Cg(2): N2-C8-C9-C10-C11-C12; Symmetry
codes: (vi) 1-x, 2-y, 1-z; (viii) -x, 1-y, 1-z for 1; (vi) 2-x, 1-y, 1-z; (ix) 1-x, 2-y,
1-z for 2; (vi) 2-x, 1-y, 1-z; (viii) 1-x, 2-y, 1-z for 3; (vi) 2-x, -y, 1-z; (viii) 1-x,
1-y, 1-z for 4; (vi) -x, 1-y, 1-z; (viii) 1-x, 2-y, 1-z for 5.
3
Figure S1. Temperature dependence of χm, χm-1 and χmT and for 2 at 1 KOe applied field.
Figure S2. Temperature dependence of χm, χm-1 and χmT and for 3 at 1 KOe applied field.
4
Figure S3. TGA/DSC curve of 4, [Eu(PDA)(PDAH)]n.
Figure S4. FT-IR spectrum of 1.
5
Figure S5. FT-IR spectrum of 4.
6