Electronic supplementary information
Table S1.- Elemental analyses for complexes 1-13
Compound
|
Formula
|
Mw
|
% Cteor (% Cexp)
|
% Hteor (% Hexp)
|
% Nteor (% Nexp)
|
1
|
C27 H40 N5 O12 Zn Tb
|
850.93
|
38.11 (38.04)
|
4.74 (4.65)
|
8.23 (8.30)
|
2
|
C27 H40 N5 O12 Zn Dy
|
854.51
|
37.95 (37,90)
|
4.72 (4.67)
|
8.20 (8.37)
|
3
|
C27 H40 N5 O12 Zn Er
|
859.27
|
37.74 (37.70)
|
4.69 (4.61)
|
8.15 (8.24)
|
4
|
C27 H40 N5 O12 Zn Yb
|
865.05
|
37.49 (37.55)
|
4,66 (4.73)
|
8.10 (8.20)
|
5
|
C25 H37 N6 O13 Zn Er
|
862.24
|
34.82 (34.90)
|
4.33 (4.41)
|
9.75 (9.90)
|
6
|
C27 H47 N6 O16 Zn Nd
|
921.32
|
35.20 (35.31)
|
5.14 (5.30)
|
9.12 (9.01)
|
7
|
C44 H52 N7 O12 Zn Tb
|
1095.22
|
48.25 (48.40)
|
4.78 (4.91)
|
8.95 (9.07)
|
8
|
C44 H52 N7 O12 Zn Dy
|
1098.80
|
48.10 (48.15)
|
4.77 (4.83)
|
8.92 (9.00)
|
9
|
C44 H52 N7 O12 Zn Er
|
1103.56
|
47.89 (47.80)
|
4.75 (4.76)
|
8.88 (8.98)
|
10
|
C44 H52 N7 O12 Zn Yb
|
1109.34
|
47.64 (47.53)
|
4.73 (4.75)
|
8.84 (8.80)
|
11
|
C61 H64 N7 O11 Zn Yb
|
1309.60
|
55.94 (55.90)
|
4.93 (5.00)
|
7.49 (7.44)
|
12
|
C59 H67 N6 O14 Zn Nd
|
1293.83
|
54.77 (54.86)
|
5.22 (5.30)
|
6.50 (6.60)
|
13
|
C44 H62 N4 O17 Cl Zn Nd
|
1164.07
|
45.40 (45.48)
|
5.37 (5.45)
|
4.81 (4.90)
|
Table S2.- Crystalllographic data for compounds 1-13
Compound
|
1
|
3
|
4
|
5
|
6
|
7
|
Formula
|
C27H40N5O12ZnTb
|
C27H40N5O12ZnEr
|
C27H40N5O12ZnYb
|
C25H37N6O13ZnEr
|
C27H47N6O16ZnNd
|
C44H52N7O12ZnTb
|
Mr
|
850.93
|
859.27
|
865.05
|
862.24
|
921.32
|
1095.22
|
Crystal system
|
Triclinic
|
Monoclinic
|
Monoclinic
|
Orthorhombic
|
Monoclinic
|
Monoclinic
|
Space group (no.)
|
P-1 (2)
|
P21/n (14)
|
P21/n (14)
|
P212121 (19)
|
P21/c (14)
|
P21/n (14)
|
a (Å)
|
11.45081(14)
|
11.345(5)
|
11.3197(7)
|
10.7276(5)
|
10.686(5)
|
13.546(5)
|
b (Å)
|
14.77726(18)
|
14.542(5)
|
14.5238(9)
|
15.8243(7)
|
17.785(5)
|
23.332(5)
|
c (Å)
|
19.3346(2)
|
20.078(5)
|
20.1539(12)
|
17.8958(8)
|
20.049(5)
|
14.885(5)
|
a (°)
|
92.6221(10)
|
90.000(5)
|
90.00
|
90.00
|
90.000(5)
|
90.000(5)
|
β (°)
|
98.4836(10)
|
101.407(5)
|
101.7910(10)
|
90.00
|
102.148(5)
|
102.616(5)
|
γ (°)
|
90.9880(10)
|
90.000(5)
|
90.00
|
90.00
|
90.000(5)
|
90.000(5)
|
V (Å3)
|
3231.50(7)
|
3247(2)
|
3243.5(3)
|
3037.9(2)
|
3725(2)
|
4591(2)
|
Z
|
4
|
4
|
4
|
4
|
4
|
4
|
Dc (g cm-3)
|
1.749
|
1.758
|
1.771
|
1.885
|
1.639
|
1.585
|
(MoK) (mm-1)
|
2.981
|
3.373
|
3.673
|
3.609
|
2.098
|
2.119
|
T (K)
|
100(2)
|
100(2)
|
100(2)
|
100(2)
|
100(2)
|
100(2)
|
Observed reflections
|
16275 (13145)
|
5689 (5178)
|
5711 (5254)
|
5346 (5086)
|
6560 (5982)
|
8069 (7233)
|
Rint
|
0.0403
|
0.0323
|
0.0256
|
0.0302
|
0.0351
|
0.0268
|
Parameters
|
844
|
423
|
423
|
422
|
471
|
595
|
GOF
|
0.979
|
1.055
|
1.057
|
0.823
|
1.109
|
1.063
|
R1a, b
|
0.0363 (0.0260)
|
0.0310 (0.0281)
|
0.0269 (0.0240)
|
0.0272 (0.0253)
|
0.0388 (0.0347)
|
0.0330 (0.0289)
|
wR2c
|
0.0566 (0.0549)
|
0.0700 (0.0683)
|
0.0576 (0.0557)
|
0.0627 (0.0609)
|
0.0880 (0.0849)
|
0.0710 (0.0688)
|
Largest difference in peak and hole (e Å-3)
|
1.354 and -0.875
|
2.947 and -1.033
|
1.394 and -0.522
|
1.318 and -0.422
|
1.453 and -0.767
|
1.198 and -0.328
|
|
|
|
|
|
|
|
a R1 = ||Fo| - |Fc||/|Fo|.
|
|
|
|
|
b Values in parentheses for reflections with I > 2(I).
|
|
|
|
|
cwR2 = {[w(Fo2 - Fc2)2] / [w(Fo2)2]}½
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
Compound
|
8
|
9
|
10
|
11
|
12
|
13
|
Formula
|
C44H52N7O12ZnDy
|
C44H52N7O12ZnEr
|
C44H52N7O12ZnYb
|
C61H64N7O11ZnYb
|
C59H67N6O14ZnNd
|
C44H62N4O17ClZnNd
|
Mr
|
1098.80
|
1103.56
|
1109.34
|
1309.60
|
1293.83
|
1164.07
|
Crystal system
|
Monoclinic
|
Monoclinic
|
Monoclinic
|
Orthorhombic
|
Orthorhombic
|
Triclinic
|
Space group (no.)
|
P21/n (14)
|
P21/n (14)
|
P21/n (14)
|
Pca21 (29)
|
Pca21 (29)
|
P-1 (2)
|
a (Å)
|
13.547(5)
|
13.533(5)
|
13.542(5)
|
22.4764(12)
|
22.664(5)
|
12.051(5)
|
b (Å)
|
23.341(5)
|
23.340(5)
|
23.319(5)
|
12.8315(7)
|
12.828(5)
|
12.325(5)
|
c (Å)
|
14.882(5)
|
14.868(5)
|
14.857(5)
|
19.7813(10)
|
19.893(5)
|
17.328(5)
|
|
90.000(5)
|
90.000(5)
|
90.000(5)
|
90.00
|
90.000(5)
|
74.587(5)
|
β (°)
|
102.621(5)
|
102.600(5)
|
102.575(5)
|
90.00
|
90.000(5)
|
86.073(5)
|
γ (°)
|
90.000(5)
|
90.000(5)
|
90.000(5)
|
90.00
|
90.000(5)
|
83.022(5)
|
V (Å3)
|
4592(2)
|
4583(2)
|
4579(2)
|
5705.0(5)
|
5784(3)
|
2461.0(16)
|
Z
|
4
|
4
|
4
|
4
|
4
|
2
|
Dc (g cm-3)
|
1.589
|
1.599
|
1.609
|
1.525
|
1.479
|
1.437
|
MoKmm
|
2.206
|
2.411
|
2.623
|
2.117
|
1.373
|
1.593
|
T (K)
|
100(2)
|
100(2)
|
100(2)
|
100(2)
|
100(2)
|
100(2)
|
Observed reflections
|
8081 (7400)
|
8064 (7374)
|
8003 (7326)
|
8019 (7335)
|
9088 (8234)
|
8641 (6872)
|
Rint
|
0.0333
|
0.0399
|
0.0300
|
0.0711
|
0.0613
|
0.0559
|
Parameters
|
595
|
595
|
595
|
740
|
749
|
589
|
GOF
|
1.066
|
1.076
|
1.040
|
1.037
|
1.041
|
1.001
|
R1a, b
|
0.0280 (0.0251)
|
0.0293 (0.0262)
|
0.0309 (0.0277)
|
0.0370 (0.0319)
|
0.0467 (0.0409)
|
0.0566 (0.0442)
|
wR2c
|
0.0618 (0.0601)
|
0.0650 (0.0634)
|
0.0675 (0.0658)
|
0.0723 (0.0693)
|
0.0965 (0.0914)
|
0.0989 (0.0935)
|
Largest difference in peak and hole (e Å-3)
|
1.122 and -0.387
|
1.387 and -0.391
|
1.422 and -0.561
|
1.361 and -0.455
|
1.700 and -0.536
|
1.238 and -0.451
|
|
|
|
|
|
|
|
a R1 = ||Fo| - |Fc||/|Fo|.
|
|
|
|
|
b Values in parentheses for reflections with I > 2(I).
|
|
|
|
|
cwR2 = {[w(Fo2 - Fc2)2] / [w(Fo2)2]}½
|
|
|
|
|
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