Structural data of thermostable 3D Ln-MOFs that based on flexible ligand of 1,3-adamantanediacetic acid.

In this data article, we present the structural and PARD data of the Ln-MOFs. Detailed structure, luminescence and sensing properties were discussed in our previous study (Zeng et al., in press) [1] The data includes the SBU structure patterns of these Ln-MOFs, thermostability of Ln-MOFs in water and also detailed structure information listed in Table 1, Table 2, Table 3, Table 4, Table 5, Table 6, Table 7, Table 8.

Specifications Table [Please fill in right-hand column of the table below.]

Value of the data

This data would be valuable for further studies of lanthanide complexes that based on flexible ligand.

This data would be valuable for the further studies of lanthanide complexes that coordinated by phen.

This data provide a new way to synthesize thermostable lanthanide complexes.

Data

The crystal structures of isostructural 1a-1h have the same chemical formula of [Ln(ADA)1.5(phen)]n (Ln3+ = Eu3+ 1a, Gd3+ 1b, Tb3+ 1c, La3+ 1d, Ce3+ 1e, Pr3+ 1f, Nd3+ 1g, Y3+ 1h, 1,10-phenanthroline = phen) [1]. Since they are isostructural data, as an example, the crystal structure of As shown in Fig. 1, two crystallographically independent Eu3+ are bridged by two carboxyl and two O, each dinuclear second building unit (SBU) contains two Eu3+, two phen and three fully deprotonated ADA, forming a electroneutral unit. Two phen arranged at two ends of the dinuclear cluster (Fig. 2). The coordination environment of the nine-coordinated Eu3+ center consists seven O and two N. Detailed information about selected bond lengths and angles for 1a–1h are listed in Table 1, Table 2, Table 3, Table 4, Table 5, Table 6, Table 7, Table 8, they show that the bond lengths and angles are in the normal value as our previous reports [2], [3], [4], [5], [6], [7], [8], [9]. PXRD patterns of 1a that incubation in H2O for 24 h competes well with the simulated single crystal data and the as synthesized sample, confirming 1a has high stability in water and also has high stability while sensing (Fig. 3).

Fig. 1

The SBU structure shows the coordination environment of the metal ions, two chelated phen arranged at two ends of the dinuclear cluster.

Fig. 2

The 3D Ln-MOFs structure of 1a view from the ob direction.

Table 1

Selected bond lengths and bond angles of 1a.

Eu(1)-O(1)	2.3751(14)	Eu(1)-N(2)	2.5961(16)
Eu(1)-O(2)	2.3779(13)	Eu(1)-N(1)	2.6563(16)
Eu(1)-O(4)	2.3802(14)	Eu(1)-O(4)#1	2.7171(15)
Eu(1)-O(8)	2.4397(14)	Eu(1)-C(14)	2.8253(19)
Eu(1)-O(7)	2.4749(14)	Eu(1)-C(15)	2.9887(19)
Eu(1)-O(3)	2.4859(14)	Eu(1)-Eu(1)#1	3.9681(2)
O(1)-Eu(1)-O(2)	136.90(5)	O(1)-Eu(1)-O(4)#1	76.74(5)
O(1)-Eu(1)-O(4)	73.03(5)	O(2)-Eu(1)-O(4)#1	97.21(5)
O(2)-Eu(1)-O(4)	75.65(5)	O(4)-Eu(1)-O(4)#1	165.75(5)
O(1)-Eu(1)-O(8)	127.43(5)	O(8)-Eu(1)-O(4)#1	87.00(5)
O(2)-Eu(1)-O(8)	75.10(5)	O(7)-Eu(1)-O(4)#1	71.15(5)
O(4)-Eu(1)-O(8)	81.74(5)	O(3)-Eu(1)-O(4)#1	101.67(5)
O(1)-Eu(1)-O(7)	83.91(5)	N(2)-Eu(1)-O(4)#1	143.89(5)
O(2)-Eu(1)-O(7)	128.06(5)	N(1)-Eu(1)-O(4)#1	157.58(5)
O(4)-Eu(1)-O(7)	95.22(5)	O(1)-Eu(1)-C(14)	24.14(5)
O(8)-Eu(1)-O(7)	52.96(5)	O(2)-Eu(1)-C(14)	89.84(5)
O(1)-Eu(1)-O(3)	102.46(5)	O(4)-Eu(1)-C(14)	80.90(5)
O(2)-Eu(1)-O(3)	71.88(5)	O(8)-Eu(1)-C(14)	25.13(5)
O(4)-Eu(1)-O(3)	123.75(5)	O(7)-Eu(1)-C(14)	165.57(5)
O(8)-Eu(1)-O(3)	129.69(5)	O(3)-Eu(1)-C(14)	72.15(5)
O(7)-Eu(1)-O(3)	140.83(5)	N(2)-Eu(1)-C(14)	72.95(4)
O(1)-Eu(1)-N(2)	135.35(5)	N(1)-Eu(1)-C(14)	77.96(5)
O(2)-Eu(1)-N(2)	82.69(5)	O(4)#1-Eu(1)-C(14)	145.45(5)
O(4)-Eu(1)-N(2)	150.43(5)	O(1)-Eu(1)-C(15)	156.06(5)
O(8)-Eu(1)-N(2)	73.32(5)	O(2)-Eu(1)-C(15)	49.26(4)
O(7)-Eu(1)-N(2)	82.42(5)	O(4)-Eu(1)-C(15)	114.73(5)
O(3)-Eu(1)-N(2)	65.81(5)	O(8)-Eu(1)-C(15)	95.79(5)
O(1)-Eu(1)-N(1)	73.00(5)	O(7)-Eu(1)-C(15)	106.22(6)
O(2)-Eu(1)-N(1)	135.22(5)	O(3)-Eu(1)-C(15)	101.45(5)
O(4)-Eu(1)-N(1)	145.73(5)	N(2)-Eu(1)-C(15)	87.99(5)
O(8)-Eu(1)-N(1)	116.30(5)	N(1)-Eu(1)-C(15)	26.35(5)
O(7)-Eu(1)-N(1)	76.85(5)	O(4)#1-Eu(1)-C(15)	26.61(5)
O(3)-Eu(1)-N(1)	68.60(5)	C(14)-Eu(1)-C(15)	142.43(5)
N(2)-Eu(1)-N(1)	62.54(5)

Symmetry transformations used to generate equivalent atoms: #1 -x+1/2, -y+3/2, -z; #2 -x, y, -z-1/2; #3 -x+1/2, y+1/2, -z+1/2; #4 -x+1/2, y-1/2, -z+1/2.

Table 2

Selected bond lengths and bond angles of 1b.

Gd(1)-O(2)#1	2.451(3)	Gd(1)-N(1)	2.675(3)
Gd(1)-O(1)	2.455(3)	Gd(1)-N(2)	2.732(3)
Gd(1)-O(6)#1	2.463(3)	Gd(1)-O(6)	2.751(3)
Gd(1)-O(4)#2	2.506(3)	Gd(1)-C(14)#2	2.900(3)
Gd(1)-O(3)#2	2.554(3)	Gd(1)-C(15)	3.041(3)
Gd(1)-O(5)	2.567(3)	Gd(1)-Gd(1)#1	4.0419(4)
O(2)#1-Gd(1)-O(1)	136.41(9)	N(1)-Gd(1)-C(14)#2	76.19(9)
O(2)#1-Gd(1)-O(6)#1	74.81(9)	N(2)-Gd(1)-C(14)#2	97.41(10)
O(1)-Gd(1)-O(6)#1	72.69(9)	O(6)-Gd(1)-C(14)#2	167.91(9)
O(2)#1-Gd(1)-O(4)#2	75.64(9)	O(2)#1-Gd(1)-C(15)	70.67(9)
O(1)-Gd(1)-O(4)#2	127.59(10)	O(1)-Gd(1)-C(15)	88.25(10)
O(6)#1-Gd(1)-O(4)#2	83.65(9)	O(6)#1-Gd(1)-C(15)	101.55(9)
O(2)#1-Gd(1)-O(3)#2	127.00(9)	O(4)#2-Gd(1)-C(15)	142.99(9)
O(1)-Gd(1)-O(3)#2	85.20(9)	O(3)#2-Gd(1)-C(15)	157.89(9)
O(6)#1-Gd(1)-O(3)#2	96.61(10)	O(5)-Gd(1)-C(15)	23.77(9)
O(4)#2-Gd(1)-O(3)#2	51.36(9)	O(2)#1-Gd(1)-O(6)	72.66(8)
O(2)#1-Gd(1)-O(5)	71.06(9)	O(1)-Gd(1)-O(6)	73.03(9)
O(1)-Gd(1)-O(5)	104.02(10)	O(6)#1-Gd(1)-O(6)	78.49(9)
O(6)#1-Gd(1)-O(5)	122.94(9)	O(4)#2-Gd(1)-O(6)	146.69(9)
O(4)#2-Gd(1)-O(5)	127.86(9)	O(3)#2-Gd(1)-O(6)	158.18(9)
O(3)#2-Gd(1)-O(5)	140.43(9)	O(5)-Gd(1)-O(6)	48.43(8)
O(2)#1-Gd(1)-N(1)	84.53(10)	N(1)-Gd(1)-O(6)	112.97(8)
O(1)-Gd(1)-N(1)	133.98(10)	N(2)-Gd(1)-O(6)	94.09(8)
O(6)#1-Gd(1)-N(1)	152.34(9)	O(2)#1-Gd(1)-C(14)#2	101.34(10)
O(4)#2-Gd(1)-N(1)	73.40(9)	O(1)-Gd(1)-C(14)#2	106.80(10)
O(3)#2-Gd(1)-N(1)	81.15(10)	O(6)#1-Gd(1)-C(14)#2	89.86(9)
O(5)-Gd(1)-N(1)	64.63(9)	O(4)#2-Gd(1)-C(14)#2	25.70(10)
O(2)#1-Gd(1)-N(2)	135.25(10)	O(3)#2-Gd(1)-C(14)#2	25.66(10)
O(1)-Gd(1)-N(2)	73.11(10)	O(5)-Gd(1)-C(14)#2	140.48(9)
O(6)#1-Gd(1)-N(2)	145.69(10)	N(1)-Gd(1)-C(15)	88.38(9)
O(4)#2-Gd(1)-N(2)	115.87(9)	N(2)-Gd(1)-C(15)	79.98(9)
O(3)#2-Gd(1)-N(2)	77.91(10)	O(6)-Gd(1)-C(15	24.68(9)
O(5)-Gd(1)-N(2)	68.67(9)	C(14)#2-Gd(1)-C(15)	163.41(10)
N(1)-Gd(1)-N(2)	61.12(10)

Symmetry transformations used to generate equivalent atoms: #1 -x+1, -y, -z+1; #2 ×+1/2, -y+1/2, z+1/2; #3 -x+1, y, -z+1/2; #4 ×-1/2, -y+1/2, z-1/2.

Table 3

Selected bond lengths and bond angles of 1c.

Tb(1)-O(6)	2.3454(17)	Tb(1)-N(1)	2.5730(18)
Tb(1)-O(2)	2.3457(16)	Tb(1)-N(2)	2.6375(18)
Tb(1)-O(1)	2.3561(15)	Tb(1)-O(6)#2	2.775(2)
Tb(1)-O(3)#1	2.4232(15)	Tb(1)-C(14)#1	2.803(2)
Tb(1)-O(4)#1	2.4499(16)	Tb(1)-C(15)	3.004(2)
Tb(1)-O(5)	2.4514(16)	Tb(1)-Tb(1)#2	3.9815(2)
O(6)-Tb(1)-O(2)	73.26(6)	O(5)-Tb(1)-N(2)	68.73(6)
O(6)-Tb(1)-O(1)	76.26(6)	N(1)-Tb(1)-N(2)	63.11(6)
O(2)-Tb(1)-O(1)	136.15(5)	N(1)-Tb(1)-C(14)#1	77.04(6)
O(6)-Tb(1)-O(3)#1	81.08(6)	N(2)-Tb(1)-C(14)#1	97.21(6)
O(2)-Tb(1)-O(3)#1	128.82(6)	O(6)#2-Tb(1)-C(14)#1	164.94(6)
O(1)-Tb(1)-O(3)#1	75.06(5)	O(6)-Tb(1)-C(15)	101.89(6)
O(6)-Tb(1)-O(4)#1	94.30(7)	O(2)-Tb(1)-C(15)	85.32(6)
O(2)-Tb(1)-O(4)#1	84.85(6)	O(1)-Tb(1)-C(15)	70.95(5)
O(1)-Tb(1)-O(4)#1	128.48(5)	O(3)#1-Tb(1)-C(15)	143.93(6)
O(3)#1-Tb(1)-O(4)#1	53.41(5)	O(4)#1-Tb(1)-C(15)	157.75(6)
O(6)-Tb(1)-O(5)	124.00(6)	O(5)-Tb(1)-C(15)	23.83(5)
O(2)-Tb(1)-O(5)	100.16(6)	O(6)-Tb(1)-O(6)#2	78.25(6)
O(1)-Tb(1)-O(5)	72.18(6)	O(2)-Tb(1)-O(6)#2	71.34(6)
O(3)#1-Tb(1)-O(5)	130.71(6)	O(1)-Tb(1)-O(6)#2	72.17(5)
O(4)#1-Tb(1)-O(5)	141.35(6)	O(3)#1-Tb(1)-O(6)#2	144.49(5)
O(6)-Tb(1)-N(1)	149.90(6)	O(4)#1-Tb(1)-O(6)#2	156.17(5)
O(2)-Tb(1)-N(1)	135.76(6)	O(5)-Tb(1)-O(6)#2	48.61(5)
O(1)-Tb(1)-N(1)	82.12(6)	N(1)-Tb(1)-O(6)#2	114.75(5)
O(3)#1-Tb(1)-N(1)	73.21(6)	N(2)-Tb(1)-O(6)#2	96.65(5)
O(4)#1-Tb(1)-N(1)	82.92(6)	O(6)-Tb(1)-C(14)#1	86.99(6)
O(5)-Tb(1)-N(1)	66.72(5)	O(2)-Tb(1)-C(14)#1	107.40(6)
O(6)-Tb(1)-N(2)	145.39(6)	O(1)-Tb(1)-C(14)#1	101.62(6)
O(2)-Tb(1)-N(2)	72.71(6)	O(3)#1-Tb(1)-C(14)#1	26.56(6)
O(1)-Tb(1)-N(2)	135.27(6)	O(4)#1-Tb(1)-C(14)#1	26.86(6)
O(3)#1-Tb(1)-N(2)	116.39(6)	O(5)-Tb(1)-C(14)#1	143.70(6)
O(4)#1-Tb(1)-N(2)	76.57(6)

Symmetry transformations used to generate equivalent atoms: #1 -x+1/2, y+1/2, -z+1/2; #2 -x+1/2, -y+1/2, -z; #3 -x, y, -z-1/2; #4 -x+1/2, y-1/2, -z+1/2.

Table 4

Selected bond lengths and bond angles of 1d.

La(1)-O(3)	2.4706(13)	La(1)-N(1)	2.6995(16)
La(1)-O(4)#1	2.4786(14)	La(1)-N(2)	2.7534(16)
La(1)-O(5)	2.4866(13)	La(1)-O(5)#1	2.7712(13)
La(1)-O(2)	2.5295(13)	La(1)-C(1)	2.9250(18)
La(1)-O(1)	2.5790(14)	La(1)-C(15)#1	3.0650(18)
La(1)-O(6)#1	2.5869(13)	La(1)-La(1)#1	4.0771(2)
O(3)-La(1)-O(4)#1	135.96(4)	N(1)-La(1)-C(1)	76.01(5)
O(3)-La(1)-O(5)	74.67(5)	N(2)-La(1)-C(1)	97.56(5)
O(4)#1-La(1)-O(5)	72.44(5)	O(5)#1-La(1)-C(1)	168.33(5)
O(3)-La(1)-O(2)	75.84(5)	O(3)-La(1)-C(15)#1	70.48(5)
O(4)#1-La(1)-O(2)	128.06(5)	O(4)#1-La(1)-C(15)#1	88.19(5)
O(5)-La(1)-O(2)	84.42(4)	O(5)-La(1)-C(15)#1	101.37(5)
O(3)-La(1)-O(1)	126.80(4)	O(2)-La(1)-C(15)#1	142.69(5)
O(4)#1-La(1)-O(1)	85.97(5)	O(1)-La(1)-C(15)#1	157.86(5)
O(5)-La(1)-O(1)	97.18(5)	O(6)#1-La(1)-C(15)#1	23.55(4)
O(2)-La(1)-O(1)	50.96(5)	O(3)-La(1)-O(5)#1	72.35(4)
O(3)-La(1)-O(6)#1	70.99(5)	O(4)#1-La(1)-O(5)#1	73.02(5)
O(4)#1-La(1)-O(6)#1	103.85(5)	O(5)-La(1)-O(5)#1	78.45(4)
O(5)-La(1)-O(6)#1	122.60(4)	O(2)-La(1)-O(5)#1	146.84(4)
O(2)-La(1)-O(6)#1	127.53(5)	O(1)-La(1)-O(5)#1	158.92(4)
O(1)-La(1)-O(6)#1	140.21(5)	O(6)#1-La(1)-O(5)#1	48.05(4)
O(3)-La(1)-N(1)	85.16(5)	N(1)-La(1)-O(5)#1	112.44(4)
O(4)#1-La(1)-N(1)	133.54(5)	N(2)-La(1)-O(5)#1	93.75(4)
O(5)-La(1)-N(1)	153.15(5)	O(3)-La(1)-C(1)	101.23(5)
O(2)-La(1)-N(1)	73.42(5)	O(4)#1-La(1)-C(1)	107.49(5)
O(1)-La(1)-N(1)	80.71(5)	O(5)-La(1)-C(1)	90.52(5)
O(6)#1-La(1)-N(1)	64.45(4)	O(2)-La(1)-C(1)	25.40(5)
O(3)-La(1)-N(2)	135.03(5)	O(1)-La(1)-C(1)	25.56(5)
O(4)#1-La(1)-N(2)	73.37(5)	O(6)#1-La(1)-C(1)	140.04(5)
O(5)-La(1)-N(2)	145.73(5)	N(1)-La(1)-C(15)#1	87.99(5)
O(2)-La(1)-N(2)	115.65(5)	N(2)-La(1)-C(15)#1	79.68(5)
O(1)-La(1)-N(2)	78.19(5)

Symmetry transformations used to generate equivalent atoms: #1 -x+3/2, -y+3/2, -z+1; #2 -x+3/2, y+1/2, -z+3/2; #3 -x+2, y, -z+3/2; #4 -x+3/2, y-1/2, -z+3/2.

Table 5

Selected bond lengths and bond angles of 1e.

Ce(1)-O(1)	2.4498(14)	Ce(1)-N(1)	2.6756(17)
Ce(1)-O(2)#1	2.4536(15)	Ce(1)-N(2)	2.7296(17)
Ce(1)-O(6)#1	2.4653(14)	Ce(1)-O(6)	2.7514(14)
Ce(1)-O(3)#2	2.5054(14)	Ce(1)-C(14)#2	2.9004(19)
Ce(1)-O(4)#2	2.5545(15)2.	Ce(1)-C(15)	3.0425(19)
Ce(1)-O(5)	5674(14)	Ce(1)-Ce(1)#1	4.0437(2)
O(1)-Ce(1)-O(2)#1	136.41(5)	O(1)-Ce(1)-O(6)	76.15(5)
O(1)-Ce(1)-O(6)#1	74.85(5)	O(2)#1-Ce(1)-O(6)	97.46(6)
O(2)#1-Ce(1)-O(6)#1	72.59(5)	O(6)#1-Ce(1)-O(6)	167.96(5)
O(1)-Ce(1)-O(3)#2	75.48(5)	O(3)#2-Ce(1)-O(6)	70.78(5)
O(2)#1-Ce(1)-O(3)#2	127.72(5)	O(4)#2-Ce(1)-O(6)	88.20(5)
O(6)#1-Ce(1)-O(3)#2	83.75(5)	O(5)-Ce(1)-O(6)	101.56(5)
O(1)-Ce(1)-O(4)#2	126.91(5)	N(1)-Ce(1)-O(6)	142.91(5)
O(2)#1-Ce(1)-O(4)#2	85.32(5)	N(2)-Ce(1)-O(6)	157.77(5)
O(6)#1-Ce(1)-O(4)#2	96.74(5)	O(1)-Ce(1)-C(14)#2	72.76(4)
O(3)#2-Ce(1)-O(4)#2	51.43(5)	O(2)#1-Ce(1)-C(14)#2	72.98(5)
O(1)-Ce(1)-O(5)	71.15(5)	O(6)#1-Ce(1)-C(14)#2	78.51(5)
O(2)#1-Ce(1)-O(5)	103.97(5)	O(3)#2-Ce(1)-C(14)#2	146.67(5)
O(6)#1-Ce(1)-O(5)	122.94(5)	O(4)#2-Ce(1)-C(14)#2	158.25(5)
O(3)#2-Ce(1)-O(5)	127.78(5)	O(5)-Ce(1)-C(14)#2	48.39(4)
O(4)#2-Ce(1)-O(5)	140.29(5)	N(1)-Ce(1)-C(14)#2	112.91(5)
O(1)-Ce(1)-N(1)	84.57(5)	N(2)-Ce(1)-C(14)#2	94.04(5)
O(2)#1-Ce(1)-N(1)	133.93(5)	O(6)-Ce(1)-C(14)#2	101.17(6)
O(6)#1-Ce(1)-N(1)	152.49(5)	O(1)-Ce(1)-C(15)	106.94(6)
O(3)#2-Ce(1)-N(1)	73.40(5)	O(2)#1-Ce(1)-C(15)	89.93(5)
O(4)#2-Ce(1)-N(1)	81.03(5)	O(6)#1-Ce(1)-C(15)	25.70(6)
O(5)-Ce(1)-N(1)	64.60(5)	O(3)#2-Ce(1)-C(15)	25.73(6)
O(1)-Ce(1)-N(2)	135.09(5)	O(4)#2-Ce(1)-C(15)	140.41(5)
O(2)#1-Ce(1)-N(2)	73.33(5)	O(5)-Ce(1)-C(15)	23.74(5)
O(6)#1-Ce(1)-N(2)	145.83(5)

Symmetry transformations used to generate equivalent atoms: #1 -x+3/2, -y+3/2, -z+1; #2 -x+3/2, y+1/2, -z+3/2; #3 -x+2, y, -z+3/2; #4 -x+3/2, y-1/2, -z+3/2.

Table 6

Selected bond lengths and bond angles of 1f.

Pr(1)-O(4)#1	2.4320(14)	Pr(1)-N(2)	2.6541(17)
Pr(1)-O(3)#2	2.4372(15)	Pr(1)-N(1)	2.7111(18)
Pr(1)-O(5)	2.4470(15)	Pr(1)-O(5)#3	2.7383(15)
Pr(1)-O(1)	2.4905(15)	Pr(1)-C(1)	2.883(2)
Pr(1)-O(2)	2.5366(15)	Pr(1)-C(15)#3	3.029(2)
Pr(1)-O(6)#3	2.5482(15)	Pr(1)-Pr(1)#3	4.0220(2)
O(4)#1-Pr(1)-O(3)#2	136.70(5)	O(4)#1-Pr(1)-O(5)#3	72.92(5)
O(4)#1-Pr(1)-O(5)	75.03(5)	O(3)#2-Pr(1)-O(5)#3	72.90(5)
O(3)#2-Pr(1)-O(5)	72.75(5)	O(5)-Pr(1)-O(5)#3	78.42(5)
O(4)#1-Pr(1)-O(1)	75.39(5)	O(1)-Pr(1)-O(5)#3	146.48(5)
O(3)#2-Pr(1)-O(1)	127.39(6)	O(2)-Pr(1)-O(5)#3	157.62(5)
O(5)-Pr(1)-O(1)	83.16(5)	O(6)#3-Pr(1)-O(5)#3	48.71(4)
O(4)#1-Pr(1)-O(2)	127.15(5)	N(2)-Pr(1)-O(5)#3	113.45(5)
O(3)#2-Pr(1)-O(2)	84.74(5)	N(1)-Pr(1)-O(5)#3	94.40(5)
O(5)-Pr(1)-O(2)	96.29(6)	O(4)#1-Pr(1)-C(1)	101.18(6)
O(1)-Pr(1)-O(2)	51.76(5)	O(3)#2-Pr(1)-C(1)	106.59(6)
O(4)#1-Pr(1)-O(6)#3	71.35(5)	O(5)-Pr(1)-C(1)	89.43(5)
O(3)#2-Pr(1)-O(6)#3	103.83(5)	O(1)-Pr(1)-C(1)	25.79(6)
O(5)-Pr(1)-O(6)#3	123.24(5)	O(2)-Pr(1)-C(1)	25.97(6)
O(1)-Pr(1)-O(6)#3	128.26(5)	O(6)#3-Pr(1)-C(1)	140.79(5)
O(2)-Pr(1)-O(6)#3	140.42(5)	N(2)-Pr(1)-C(1)	76.22(5)
O(4)#1-Pr(1)-N(2)	84.20(5)	N(1)-Pr(1)-C(1)	97.41(6)
O(3)#2-Pr(1)-N(2)	134.16(6)	O(5)#3-Pr(1)-C(1)	167.47(5)
O(5)-Pr(1)-N(2)	152.00(5)	O(4)#1-Pr(1)-C(15)#3	70.91(5)
O(1)-Pr(1)-N(2)	73.44(5)	O(3)#2-Pr(1)-C(15)#3	88.11(5)
O(2)-Pr(1)-N(2)	81.33(6)	O(5)-Pr(1)-C(15)#3	101.63(5)
O(6)#3-Pr(1)-N(2)	64.86(5)	O(1)-Pr(1)-C(15)#3	143.22(5)
O(4)#1-Pr(1)-N(1)	135.14(6)	O(2)-Pr(1)-C(15)#3	157.77(5)
O(3)#2-Pr(1)-N(1)	73.21(6)	O(6)#3-Pr(1)-C(15)#3	23.91(5)
O(5)-Pr(1)-N(1)	145.82(5)	N(2)-Pr(1)-C(15)#3	88.75(5)
O(1)-Pr(1)-N(1)	115.98(5)	N(1)-Pr(1)-C(15)#3	80.10(5)
O(2)-Pr(1)-N(1)	77.69(5)	O(5)#3-Pr(1)-C(15)#3	24.82(5)
O(6)#3-Pr(1)-N(1)	68.50(5)	C(1)-Pr(1)-C(15)#3	163.82(6)
N(2)-Pr(1)-N(1)	61.21(6)

Symmetry transformations used to generate equivalent atoms: #1 -x+3/2, y-1/2, -z+3/2; #2 ×, -y+1, z-1/2; #3 -x+3/2, -y+1/2, -z+1; #4 -x+2, y, -z+3/2; #5 -x+3/2, y+1/2, -z+3/2; #6 ×, -y+1, z+1/2.

Table 7

Selected bond lengths and bond angles of 1 g.

Nd(1)-O(1)	2.4192(14)	Nd(1)-N(2)	2.6360(18)
Nd(1)-O(2)#1	2.4211(15)	Nd(1)-N(1)	2.6923(18)
Nd(1)-O(5)#1	2.4298(15)	Nd(1)-O(5)	2.7278(16)
Nd(1)-O(4)#2	2.4757(15)	Nd(1)-C(14)#2	2.871(2)
Nd(1)-O(3)#2	2.5194(15)	Nd(1)-C(15)	3.015(2)
Nd(1)-O(6)	2.5307(15)	Nd(1)-Nd(1)#1	4.0061(2)
O(1)-Nd(1)-O(2)#1	136.86(5)	O(1)-Nd(1)-O(5)	73.02(5)
O(1)-Nd(1)-O(5)#1	75.10(5)	O(2)#1-Nd(1)-O(5)	72.83(5)
O(2)#1-Nd(1)-O(5)#1	72.81(5)	O(5)#1-Nd(1)-O(5)	78.23(5)
O(1)-Nd(1)-O(4)#2	75.31(5)	O(4)#2-Nd(1)-O(5)	146.28(5)
O(2)#1-Nd(1)-O(4)#2	127.15(6)	O(3)#2-Nd(1)-O(5)	157.21(5)
O(5)#1-Nd(1)-O(4)#2	82.78(5)	O(6)-Nd(1)-O(5)	48.93(4)
O(1)-Nd(1)-O(3)#2	127.35(5)	N(2)-Nd(1)-O(5)	113.94(5)
O(2)#1-Nd(1)-O(3)#2	84.40(5)	N(1)-Nd(1)-O(5)	94.77(5)
O(5)#1-Nd(1)-O(3)#2	96.20(6)	O(1)-Nd(1)-C(14)#2	101.24(6)
O(4)#2-Nd(1)-O(3)#2	52.04(5)	O(2)#1-Nd(1)-C(14)#2	106.31(6)
O(1)-Nd(1)-O(6)	71.44(5)	O(5)#1-Nd(1)-C(14)#2	89.20(6)
O(2)#1-Nd(1)-O(6)	103.77(6)	O(4)#2-Nd(1)-C(14)#2	25.93(6)
O(5)#1-Nd(1)-O(6)	123.29(5)	O(3)#2-Nd(1)-C(14)#2	26.11(6)
O(4)#2-Nd(1)-O(6)	128.59(5)	O(6)-Nd(1)-C(14)#2	141.10(5)
O(3)#2-Nd(1)-O(6)	140.45(5)	N(2)-Nd(1)-C(14)#2	55.64(10)
O(1)-Nd(1)-N(2)	83.74(6)	N(1)-Nd(1)-C(14)#2	167.12(5)
O(2)#1-Nd(1)-N(2)	134.62(6)	O(5)-Nd(1)-C(14)#2	70.98(5)
O(5)#1-Nd(1)-N(2)	151.41(5)	O(1)-Nd(1)-C(15)	76.15(6)
O(4)#2-Nd(1)-N(2)	73.29(5)	O(2)#1-Nd(1)-C(15)	88.08(6)
O(3)#2-Nd(1)-N(2)	81.43(6)	O(5)#1-Nd(1)-C(15)	101.62(5)
O(6)-Nd(1)-N(2)	65.18(5)	O(4)#2-Nd(1)-C(15)	143.40(5)
O(1)-Nd(1)-N(1)	135.31(6)	O(3)#2-Nd(1)-C(15)	157.66(5)
O(2)#1-Nd(1)-N(1)	73.11(6)	O(6)-Nd(1)-C(15)	23.95(5)
O(5)#1-Nd(1)-N(1)	145.76(6)	N(2)-Nd(1)-C(15)	89.09(6)
O(4)#2-Nd(1)-N(1)	116.07(5)	N(1)-Nd(1)-C(15)	80.37(5)
O(3)#2-Nd(1)-N(1)	77.32(6)	O(5)-Nd(1)-C(15)	24.99(5)
O(6)-Nd(1)-N(1)	68.69(5)	C(14)#2-Nd(1)-C(15)	164.16(6)
N(2)-Nd(1)-N(1)	61.78(6)

Symmetry transformations used to generate equivalent atoms: #1 -x+1/2, -y+3/2, -z; #2 -x+1/2, y+1/2, -z+1/2; #3 -x+1/2, y-1/2, -z+1/2; #4 -x, y, -z-1/2.

Table 8

Selected bond lengths and bond angles of 1 h.

Y(1)-O(5)	2.2662(15)	Y(1)-O(1)	2.4080(13)
Y(1)-O(4)#1	2.2983(13)	Y(1)-N(2)	2.5418(15)
Y(1)-O(3)#2	2.3225(13)	Y(1)-N(1)	2.6141(15)
Y(1)-O(6)#3	2.3602(15)	Y(1)-C(1)	2.7670(18)
Y(1)-O(2)	2.4016(13)
O(5)-Y(1)-O(4)#1	73.25(5)	O(6)#3-Y(1)-N(2)	70.45(5)
O(5)-Y(1)-O(3)#2	79.97(6)	O(2)-Y(1)-N(2)	73.35(5)
O(4)#1-Y(1)-O(3)#2	130.88(5)	O(1)-Y(1)-N(2)	83.54(5)
O(5)-Y(1)-O(6)#3	125.93(7)	O(5)-Y(1)-N(1)	142.54(6)
O(4)#1-Y(1)-O(6)#3	90.33(6)	O(4)#1-Y(1)-N(1)	72.57(5)
O(3)#2-Y(1)-O(6)#3	73.14(5)	O(3)#2-Y(1)-N(1)	135.37(5)
O(5)-Y(1)-O(2)	78.70(6)	O(6)#3-Y(1)-N(1)	69.05(5)
O(4)#1-Y(1)-O(2)	135.32(5)	O(2)-Y(1)-N(1)	116.96(5)
O(3)#2-Y(1)-O(2)	75.26(5)	O(1)-Y(1)-N(1)	76.57(5)
O(6)#3-Y(1)-O(2)	134.34(6)	N(2)-Y(1)-N(1)	63.56(5)
O(5)-Y(1)-O(1)	89.23(7)	O(5)-Y(1)-C(1)	82.20(7)
O(4)#1-Y(1)-O(1)	91.05(5)	O(4)#1-Y(1)-C(1)	113.73(6)
O(3)#2-Y(1)-O(1)	129.40(4)	O(3)#2-Y(1)-C(1)	102.17(5)
O(6)#3-Y(1)-O(1)	143.43(5)	O(6)#3-Y(1)-C(1)	148.48(6)
O(2)-Y(1)-O(1)	54.13(5)	O(2)-Y(1)-C(1)	26.93(5)
O(5)-Y(1)-N(2)	149.86(6)	O(1)-Y(1)-C(1)	27.24(5)
O(4)#1-Y(1)-N(2)	135.87(5)	N(2)-Y(1)-C(1)	78.05(5)
O(3)#2-Y(1)-N(2)	82.21(5)	N(1)-Y(1)-C(1)	97.93(5)

Symmetry transformations used to generate equivalent atoms: #1 ×, -y+2, z-1/2; #2 -x+3/2, y-1/2, -z+3/2; #3 -x+3/2, -y+3/2, -z+1; #4 -x+3/2, y+1/2, -z+3/2; #5 ×, -y+2, z+1/2; #6 -x+2, y, -z+3/2.

Fig. 3

PXRD patterns comparison of single crystal data 1a, as synthesized 1a and bulk sample 1a immersed in water for 24 h, they compete with each other very well, confirming 1a is highly stable that incubated in aqueous solution for 24 h.

Experimental design, materials, and methods

Ln-MOFs 1a-1h were synthesized with similar procedure. 100 mg (0.396 mmol) H2ADA and 20 mL H2O were mixed in a 50 mL beaker, and adjusted to pH = 6 with 0.1 M NaOH solution. The ligand solution mixed with 20 mL water solution which contains 0.26 mmol Ln(NO3)3·6H2O. Then, 48 mg phen EtOH solution (20 mL) was added to the upward mixed solution, the reaction mixture was transferred to a bottle and sealed, reacted at 60 °C for three days. After cooling to room temperature in the oven, colorless crystals suitable for X-ray single crystal test were obtained by filtration, they were washed with 5 mL EtOH three times and air-dried.

Single crystal X-ray diffraction data was collected on a Bruker SMART 1000 CCD, with Mo-Ka radiation (Wavelength = 0.71073 Å) at room temperature. The structure was refined by full-matrix least-squares methods with SHELXL-97 module. Phase purity of bulk sample was determined by PXRD, using a DMAX2200VPC diffractometer, at 30 kV and 30 mA.

Subject area	Chemistry
More specific subject area	Single crystal data of lanthanide complexes
Type of data	Table, figure
How data was acquired	Crystallography open data base and crystallographic tool – Diamond: Crystallographic Information File Code: 1562078–1562085.cif
Data format	Analyzed
Experimental factors	Single crystal X-ray diffraction data was collected on a Bruker SMART 1000 CCD at 293(2) K, with Mo-Ka radiation (0.71073Å) at room temperature. The structure was refined by full-matrix least-squares methods with SHELXL-97 module. The eight structures are isostructural, they crystallize in monoclinic space group C2/c (no. 15).
Experimental features	Needle like colorless single crystal.
Data source location	Jiangxi Normal University, Nanchang, China.
Data accessibility	The data are with this article.
Related research article	K. Zheng, Z.-Q. Liu, Y. Huang, F. Chen, C.-H. Zeng, S. Zhong, et al., Highly Luminescent Ln-MOFs Based on 1,3-Adamantanediacetic Acid as Bifunctional Sensor, Sensors and Actuators B: Chemical, in press.