DyMNT_031121_nbb

Table 1 Crystal data and structure refinement for DyMNT_031121_nbb_0m.
Identification code	DyMNT_031121_nbb_0m
Empirical formula	C₂₈DyN₁₄Na₅S₈
Formula weight	1066.35
Temperature/K	100.00
Crystal system	monoclinic
Space group	P2₁/n
a/Å	13.6517(5)
b/Å	18.3713(7)
c/Å	17.5608(7)
α/°	90
β/°	92.0630(10)
γ/°	90
Volume/Å³	4401.4(3)
Z	4
ρ_calcg/cm³	1.609
μ/mm^‑1	2.166
F(000)	2060.0
Crystal size/mm³	0.2 × 0.1 × 0.1
Radiation	MoKα (λ = 0.71073)
2Θ range for data collection/°	4.44 to 63.09
Index ranges	-20 ≤ h ≤ 20, -27 ≤ k ≤ 27, -25 ≤ l ≤ 25
Reflections collected	115015
Independent reflections	14672 [R_int = 0.0361, R_sigma = 0.0214]
Data/restraints/parameters	14672/0/506
Goodness-of-fit on F²	1.177
Final R indexes [I>=2σ (I)]	R₁ = 0.0377, wR₂ = 0.0998
Final R indexes [all data]	R₁ = 0.0491, wR₂ = 0.1099
Largest diff. peak/hole / e Å^-3	1.64/-0.88

Table 2 Fractional Atomic Coordinates (×10⁴) and Equivalent Isotropic Displacement Parameters (Å²×10³) for DyMNT_031121_nbb_0m. U_eq is defined as 1/3 of of the trace of the orthogonalised U_IJ tensor.
Atom	x	y	z	U(eq)
Dy01	8508.5(2)	8068.1(2)	2548.8(2)	16.07(5)
S3	6925.4(6)	7816.4(4)	3465.3(5)	18.94(14)
S8	-206.3(6)	8580.4(4)	3742.3(5)	21.22(15)
S4	7860.0(6)	9442.2(4)	3027.3(5)	24.29(17)
S1	5781.2(6)	4251.4(4)	3345.2(5)	19.28(14)
S7	-725.3(6)	6865.3(4)	3427.7(5)	20.17(15)
S5	-2714.3(6)	1690.9(4)	2871.1(5)	22.10(15)
S6	-2134.8(8)	3261.3(6)	3658.9(5)	32.1(2)
S2	4887.2(7)	2550.2(5)	3255.0(6)	29.04(19)
Na3	3713.1(8)	8087.6(6)	5533.2(6)	10.9(2)
Na5	1579.3(10)	4691.4(8)	6968.2(7)	22.4(3)
Na2	2948.1(10)	5892.1(7)	5173.9(8)	22.0(3)
Na1	1643.3(10)	2369.0(9)	5269.7(8)	24.4(3)
Na4	571.5(15)	-252.1(9)	2852.2(10)	39.8(4)
C6	6938(2)	9304.4(17)	3659.7(18)	18.9(5)
C5	6555(2)	8637.4(17)	3839.5(18)	18.8(5)
N1	3827(2)	4929.8(18)	4557.6(19)	28.0(6)
N2	2839(3)	2959(2)	4501(2)	32.1(7)
N00J	4103(3)	6825(2)	4634(2)	41.7(9)
N3	5138(3)	8513(2)	4758(3)	45.3(10)
C7	5779(3)	8591(2)	4361(2)	27.3(7)
N7	1670(3)	6192.3(18)	4232(2)	32.0(7)
N6	305(3)	2662(2)	4388(2)	34.1(7)
C8	6575(2)	9945.4(19)	4020(2)	22.7(6)
C1	4741(2)	3952.5(18)	3794.3(18)	19.0(5)
N4	6333(3)	10479.2(18)	4299(2)	32.0(7)
C3	4226(2)	4485.8(19)	4223.1(19)	20.9(6)
N5	-339(2)	806.7(19)	3353(2)	34.6(7)
C12	-434(3)	2587(2)	4063(2)	26.2(7)
C4	3525(3)	3088.4(19)	4171(2)	22.9(6)
C9	-1590(2)	1864.4(18)	3327.7(18)	19.8(6)
C2	4389(2)	3255.9(19)	3761.3(19)	21.0(6)
C10	-1365(2)	2512(2)	3666.0(18)	22.4(6)
C00Y	4709(3)	6580(2)	4266(2)	34.8(9)
N00Z	1904(3)	1226(2)	4544(2)	44.1(9)
C15	1100(3)	6621.2(19)	4033(2)	23.3(6)
N8	2284(3)	8195(2)	4590(3)	43.9(10)
C14	625(2)	7876.5(18)	3921(2)	21.7(6)
N013	1729(4)	4772(3)	5531(4)	63.8(15)
C11	-890(2)	1283(2)	3353(2)	24.6(6)
C015	1641(3)	664(2)	4697(2)	33.9(8)
C13	397(2)	7160.4(17)	3802.7(18)	19.0(5)
C16	1546(3)	8053.1(18)	4280(2)	28.1(7)
C018	1329(3)	-59(3)	4918(3)	42.2(10)
C019	5472(4)	6256(2)	3814(3)	44.7(11)
C01A	1463(4)	4608(3)	4945(5)	62.0(18)
N01B	-82(6)	4980(5)	7570(4)	96(3)
N01C	1568(5)	691(4)	2333(4)	82(2)
N14	2148(5)	-964(4)	2772(4)	87(2)
C01E	1157(7)	4417(4)	4152(6)	98(3)
C22	2861(8)	-1313(5)	2768(5)	90(3)
C01G	-536(5)	4863(6)	8117(4)	86(3)
C01H	2056(5)	1174(4)	2444(4)	62.6(16)
C01I	-1073(5)	4743(7)	8812(5)	108(4)
C17	2689(10)	1777(8)	2627(6)	158(7)
C18	3913(14)	-1735(8)	2735(8)	176(7)

Table 2 Fractional Atomic Coordinates (×10⁴) and Equivalent Isotropic Displacement Parameters (Å²×10³) for DyMNT_031121_nbb_0m. U_eq is defined as 1/3 of of the trace of the orthogonalised U_IJ tensor.

Atom

U(eq)

Dy01

8508.5(2)

8068.1(2)

2548.8(2)

16.07(5)

6925.4(6)

7816.4(4)

3465.3(5)

18.94(14)

-206.3(6)

8580.4(4)

3742.3(5)

21.22(15)

7860.0(6)

9442.2(4)

3027.3(5)

24.29(17)

5781.2(6)

4251.4(4)

3345.2(5)

19.28(14)

-725.3(6)

6865.3(4)

3427.7(5)

20.17(15)

-2714.3(6)

1690.9(4)

2871.1(5)

22.10(15)

-2134.8(8)

3261.3(6)

3658.9(5)

32.1(2)

4887.2(7)

2550.2(5)

3255.0(6)

29.04(19)

Na3

3713.1(8)

8087.6(6)

5533.2(6)

10.9(2)

Na5

1579.3(10)

4691.4(8)

6968.2(7)

22.4(3)

Na2

2948.1(10)

5892.1(7)

5173.9(8)

22.0(3)

Na1

1643.3(10)

2369.0(9)

5269.7(8)

24.4(3)

Na4

571.5(15)

-252.1(9)

2852.2(10)

39.8(4)

6938(2)

9304.4(17)

3659.7(18)

18.9(5)

6555(2)

8637.4(17)

3839.5(18)

18.8(5)

3827(2)

4929.8(18)

4557.6(19)

28.0(6)

2839(3)

2959(2)

4501(2)

32.1(7)

N00J

4103(3)

6825(2)

4634(2)

41.7(9)

5138(3)

8513(2)

4758(3)

45.3(10)

5779(3)

8591(2)

4361(2)

27.3(7)

1670(3)

6192.3(18)

4232(2)

32.0(7)

305(3)

2662(2)

4388(2)

34.1(7)

6575(2)

9945.4(19)

4020(2)

22.7(6)

4741(2)

3952.5(18)

3794.3(18)

19.0(5)

6333(3)

10479.2(18)

4299(2)

32.0(7)

4226(2)

4485.8(19)

4223.1(19)

20.9(6)

-339(2)

806.7(19)

3353(2)

34.6(7)

C12

-434(3)

2587(2)

4063(2)

26.2(7)

3525(3)

3088.4(19)

4171(2)

22.9(6)

-1590(2)

1864.4(18)

3327.7(18)

19.8(6)

4389(2)

3255.9(19)

3761.3(19)

21.0(6)

C10

-1365(2)

2512(2)

3666.0(18)

22.4(6)

C00Y

4709(3)

6580(2)

4266(2)

34.8(9)

N00Z

1904(3)

1226(2)

4544(2)

44.1(9)

C15

1100(3)

6621.2(19)

4033(2)

23.3(6)

2284(3)

8195(2)

4590(3)

43.9(10)

C14

625(2)

7876.5(18)

3921(2)

21.7(6)

N013

1729(4)

4772(3)

5531(4)

63.8(15)

C11

-890(2)

1283(2)

3353(2)

24.6(6)

C015

1641(3)

664(2)

4697(2)

33.9(8)

C13

397(2)

7160.4(17)

3802.7(18)

19.0(5)

C16

1546(3)

8053.1(18)

4280(2)

28.1(7)

C018

1329(3)

-59(3)

4918(3)

42.2(10)

C019

5472(4)

6256(2)

3814(3)

44.7(11)

C01A

1463(4)

4608(3)

4945(5)

62.0(18)

N01B

-82(6)

4980(5)

7570(4)

96(3)

N01C

1568(5)

691(4)

2333(4)

82(2)

N14

2148(5)

-964(4)

2772(4)

87(2)

C01E

1157(7)

4417(4)

4152(6)

98(3)

C22

2861(8)

-1313(5)

2768(5)

90(3)

C01G

-536(5)

4863(6)

8117(4)

86(3)

C01H

2056(5)

1174(4)

2444(4)

62.6(16)

C01I

-1073(5)

4743(7)

8812(5)

108(4)

C17

2689(10)

1777(8)

2627(6)

158(7)

C18

3913(14)

-1735(8)

2735(8)

176(7)

Table 3 Anisotropic Displacement Parameters (Å²×10³) for DyMNT_031121_nbb_0m. The Anisotropic displacement factor exponent takes the form: -2π²[h²a*²U₁₁+2hka*b*U₁₂+…].
Atom	U₁₁	U₂₂	U₃₃	U₂₃	U₁₃	U₁₂
Dy01	15.77(7)	14.55(7)	18.10(7)	0.85(5)	3.50(5)	0.07(5)
S3	18.6(3)	16.6(3)	22.0(3)	0.7(3)	5.1(3)	-1.6(3)
S8	19.8(3)	15.9(3)	27.8(4)	-2.0(3)	-1.9(3)	0.5(3)
S4	25.0(4)	15.0(3)	33.7(4)	-0.4(3)	13.0(3)	-0.2(3)
S1	17.3(3)	18.4(3)	22.5(3)	-3.1(3)	5.1(3)	-0.9(3)
S7	20.6(3)	15.8(3)	23.9(4)	1.3(3)	-2.7(3)	-2.3(3)
S5	16.8(3)	18.4(3)	30.8(4)	3.7(3)	-2.8(3)	-1.5(3)
S6	36.0(5)	35.1(5)	24.4(4)	-13.0(4)	-8.6(3)	11.6(4)
S2	26.2(4)	20.5(4)	41.7(5)	-5.7(3)	17.8(4)	-3.9(3)
Na3	6.6(4)	17.7(5)	8.5(4)	-2.2(4)	1.1(3)	2.8(4)
Na5	19.6(6)	33.2(7)	14.7(6)	-12.0(5)	2.3(5)	-12.1(5)
Na2	22.2(6)	19.7(6)	24.0(6)	-1.8(5)	0.0(5)	4.2(5)
Na1	18.1(6)	34.3(8)	20.7(6)	3.2(5)	0.0(5)	-2.2(5)
Na4	57.4(11)	27.1(8)	34.4(9)	3.2(7)	-6.5(8)	-9.2(8)
C6	17.9(13)	18.7(13)	20.2(13)	-2.1(11)	1.6(10)	0.9(10)
C5	17.0(13)	20.0(13)	19.4(13)	-1.3(11)	3.1(10)	1.2(10)
N1	28.6(15)	26.4(14)	29.5(15)	-3.3(12)	8.0(12)	2.0(12)
N2	27.9(16)	34.4(17)	34.7(17)	-0.8(13)	10.6(13)	-0.2(13)
N00J	44(2)	44(2)	37.2(19)	8.4(16)	-3.3(16)	-9.3(17)
N3	52(2)	29.1(17)	57(2)	-0.9(16)	33(2)	3.0(16)
C7	30.2(17)	21.4(15)	30.9(17)	-2.0(13)	12.0(14)	1.0(13)
N7	32.9(17)	23.4(14)	39.2(18)	2.2(13)	-6.8(14)	4.1(12)
N6	32.0(17)	37.7(18)	31.9(17)	-3.3(14)	-8.6(13)	0.7(14)
C8	20.2(14)	21.9(14)	26.1(15)	-1.5(12)	2.3(12)	0.8(11)
C1	16.9(13)	22.3(14)	18.1(13)	0.2(11)	2.8(10)	1.2(11)
N4	32.0(16)	24.1(14)	40.8(18)	-6.1(13)	11.3(14)	2.8(12)
C3	17.5(13)	24.6(15)	20.8(14)	0.4(11)	2.3(11)	0.7(11)
N5	24.0(15)	28.9(16)	50(2)	-1.7(15)	-7.0(14)	-0.8(12)
C12	26.6(16)	29.8(17)	21.7(15)	-4.3(13)	-3.2(12)	1.3(13)
C4	20.6(14)	23.8(15)	24.5(15)	-1.1(12)	4.4(12)	1.3(12)
C9	14.9(12)	24.7(15)	19.8(13)	3.0(11)	1.1(10)	-0.9(11)
C2	17.0(13)	24.0(15)	22.2(14)	-1.0(12)	4.8(11)	-0.1(11)
C10	21.7(14)	28.8(16)	16.5(13)	-1.4(11)	-1.4(11)	1.9(12)
C00Y	46(2)	28.1(18)	30.2(18)	4.1(15)	-2.9(17)	-13.7(17)
N00Z	48(2)	40(2)	44(2)	-4.7(17)	-2.9(18)	5.3(18)
C15	25.2(15)	19.5(14)	25.0(15)	-0.9(12)	-2.1(12)	-1.1(12)
N8	28.0(17)	28.9(17)	74(3)	-8.8(18)	-13.9(18)	0.1(14)
C14	20.5(14)	17.3(13)	27.3(15)	0.9(11)	0.6(12)	0.2(11)
N013	54(3)	32(2)	106(5)	-1(3)	12(3)	-11(2)
C11	18.7(14)	26.7(16)	28.1(16)	2.5(13)	-2.5(12)	-2.5(12)
C015	28.4(18)	36(2)	37(2)	-11.4(16)	-5.4(15)	5.2(15)
C13	20.0(13)	17.9(13)	19.1(13)	0.2(10)	-0.6(11)	-1.1(11)
C16	24.4(16)	16.4(14)	43(2)	-2.1(13)	-3.6(14)	-0.2(12)
C018	37(2)	38(2)	51(3)	-9(2)	-8.7(19)	-1.9(18)
C019	63(3)	28(2)	44(2)	-2.8(17)	17(2)	-13(2)
C01A	49(3)	18.7(19)	118(6)	9(3)	-2(3)	-5.9(19)
N01B	96(5)	144(7)	48(3)	12(4)	-20(3)	-42(5)
N01C	86(5)	75(4)	86(4)	-9(3)	19(4)	-34(3)
N14	78(4)	80(5)	102(5)	22(4)	1(4)	7(4)
C01E	129(7)	35(3)	124(7)	-4(4)	-67(6)	2(4)
C22	117(8)	77(5)	77(5)	11(4)	2(5)	13(5)
C01G	59(4)	134(8)	64(4)	39(5)	-24(3)	-27(4)
C01H	66(4)	68(4)	54(3)	1(3)	8(3)	-24(3)
C01I	45(3)	203(11)	75(5)	72(6)	5(3)	-4(5)
C17	186(12)	191(12)	100(7)	-67(8)	53(8)	-148(11)
C18	280(20)	121(10)	120(10)	-12(8)	-62(12)	103(12)

Table 3 Anisotropic Displacement Parameters (Å²×10³) for DyMNT_031121_nbb_0m. The Anisotropic displacement factor exponent takes the form: -2π²[h²a*²U₁₁+2hka*b*U₁₂+…].

Atom

U₁₁

U₂₂

U₃₃

U₂₃

U₁₃

U₁₂

Dy01

15.77(7)

14.55(7)

18.10(7)

0.85(5)

3.50(5)

0.07(5)

18.6(3)

16.6(3)

22.0(3)

0.7(3)

5.1(3)

-1.6(3)

19.8(3)

15.9(3)

27.8(4)

-2.0(3)

-1.9(3)

0.5(3)

25.0(4)

15.0(3)

33.7(4)

-0.4(3)

13.0(3)

-0.2(3)

17.3(3)

18.4(3)

22.5(3)

-3.1(3)

5.1(3)

-0.9(3)

20.6(3)

15.8(3)

23.9(4)

1.3(3)

-2.7(3)

-2.3(3)

16.8(3)

18.4(3)

30.8(4)

3.7(3)

-2.8(3)

-1.5(3)

36.0(5)

35.1(5)

24.4(4)

-13.0(4)

-8.6(3)

11.6(4)

26.2(4)

20.5(4)

41.7(5)

-5.7(3)

17.8(4)

-3.9(3)

Na3

6.6(4)

17.7(5)

8.5(4)

-2.2(4)

1.1(3)

2.8(4)

Na5

19.6(6)

33.2(7)

14.7(6)

-12.0(5)

2.3(5)

-12.1(5)

Na2

22.2(6)

19.7(6)

24.0(6)

-1.8(5)

0.0(5)

4.2(5)

Na1

18.1(6)

34.3(8)

20.7(6)

3.2(5)

0.0(5)

-2.2(5)

Na4

57.4(11)

27.1(8)

34.4(9)

3.2(7)

-6.5(8)

-9.2(8)

17.9(13)

18.7(13)

20.2(13)

-2.1(11)

1.6(10)

0.9(10)

17.0(13)

20.0(13)

19.4(13)

-1.3(11)

3.1(10)

1.2(10)

28.6(15)

26.4(14)

29.5(15)

-3.3(12)

8.0(12)

2.0(12)

27.9(16)

34.4(17)

34.7(17)

-0.8(13)

10.6(13)

-0.2(13)

N00J

44(2)

37.2(19)

8.4(16)

-3.3(16)

-9.3(17)

52(2)

29.1(17)

57(2)

-0.9(16)

33(2)

3.0(16)

30.2(17)

21.4(15)

30.9(17)

-2.0(13)

12.0(14)

1.0(13)

32.9(17)

23.4(14)

39.2(18)

2.2(13)

-6.8(14)

4.1(12)

32.0(17)

37.7(18)

31.9(17)

-3.3(14)

-8.6(13)

0.7(14)

20.2(14)

21.9(14)

26.1(15)

-1.5(12)

2.3(12)

0.8(11)

16.9(13)

22.3(14)

18.1(13)

0.2(11)

2.8(10)

1.2(11)

32.0(16)

24.1(14)

40.8(18)

-6.1(13)

11.3(14)

2.8(12)

17.5(13)

24.6(15)

20.8(14)

0.4(11)

2.3(11)

0.7(11)

24.0(15)

28.9(16)

50(2)

-1.7(15)

-7.0(14)

-0.8(12)

C12

26.6(16)

29.8(17)

21.7(15)

-4.3(13)

-3.2(12)

1.3(13)

20.6(14)

23.8(15)

24.5(15)

-1.1(12)

4.4(12)

1.3(12)

14.9(12)

24.7(15)

19.8(13)

3.0(11)

1.1(10)

-0.9(11)

17.0(13)

24.0(15)

22.2(14)

-1.0(12)

4.8(11)

-0.1(11)

C10

21.7(14)

28.8(16)

16.5(13)

-1.4(11)

1.9(12)

C00Y

46(2)

28.1(18)

30.2(18)

4.1(15)

-2.9(17)

-13.7(17)

N00Z

48(2)

40(2)

44(2)

-4.7(17)

-2.9(18)

5.3(18)

C15

25.2(15)

19.5(14)

25.0(15)

-0.9(12)

-2.1(12)

-1.1(12)

28.0(17)

28.9(17)

74(3)

-8.8(18)

-13.9(18)

0.1(14)

C14

20.5(14)

17.3(13)

27.3(15)

0.9(11)

0.6(12)

0.2(11)

N013

54(3)

32(2)

106(5)

-1(3)

12(3)

-11(2)

C11

18.7(14)

26.7(16)

28.1(16)

2.5(13)

-2.5(12)

C015

28.4(18)

36(2)

37(2)

-11.4(16)

-5.4(15)

5.2(15)

C13

20.0(13)

17.9(13)

19.1(13)

0.2(10)

-0.6(11)

-1.1(11)

C16

24.4(16)

16.4(14)

43(2)

-2.1(13)

-3.6(14)

-0.2(12)

C018

37(2)

38(2)

51(3)

-9(2)

-8.7(19)

-1.9(18)

C019

63(3)

28(2)

44(2)

-2.8(17)

17(2)

-13(2)

C01A

49(3)

18.7(19)

118(6)

9(3)

-2(3)

-5.9(19)

N01B

96(5)

144(7)

48(3)

12(4)

-20(3)

-42(5)

N01C

86(5)

75(4)

86(4)

-9(3)

19(4)

-34(3)

N14

78(4)

80(5)

102(5)

22(4)

1(4)

7(4)

C01E

129(7)

35(3)

124(7)

-4(4)

-67(6)

2(4)

C22

117(8)

77(5)

11(4)

2(5)

13(5)

C01G

59(4)

134(8)

64(4)

39(5)

-24(3)

-27(4)

C01H

66(4)

68(4)

54(3)

1(3)

8(3)

-24(3)

C01I

45(3)

203(11)

75(5)

72(6)

5(3)

-4(5)

C17

186(12)

191(12)

100(7)

-67(8)

53(8)

-148(11)

C18

280(20)

121(10)

120(10)

-12(8)

-62(12)

103(12)

Table 4 Bond Lengths for DyMNT_031121_nbb_0m.
Atom	Atom	Length/Å	Atom	Atom	Length/Å
Dy01	S3	2.7795(8)	Na2	C01A	3.127(6)
Dy01	S8¹	2.8446(8)	Na1	N2	2.413(4)
Dy01	S4	2.8136(8)	Na1	N6	2.413(4)
Dy01	S1²	2.8707(8)	Na1	N00Z	2.488(4)
Dy01	S7¹	2.8710(8)	Na4	N5	2.486(4)
Dy01	S5³	2.8395(8)	Na4	N01C	2.402(6)
Dy01	S6³	2.8026(9)	Na4	N14	2.526(8)
Dy01	S2²	2.8136(9)	C6	C5	1.373(4)
Dy01	Na1⁴	3.9269(14)	C6	C8	1.433(4)
S3	Na1⁴	2.9251(16)	C5	C7	1.429(5)
S3	C5	1.728(3)	N1	C3	1.153(4)
S8	Na1⁵	3.1853(16)	N2	C4	1.143(5)
S8	Na4⁶	2.8794(19)	N00J	C00Y	1.159(6)
S8	C14	1.741(3)	N3	C7	1.147(5)
S4	Na5⁷	2.9689(15)	N7	C15	1.153(5)
S4	C6	1.727(3)	N6	C12	1.149(5)
S1	Na2⁴	3.0851(16)	C8	N4	1.150(5)
S1	Na4³	2.896(2)	C1	C3	1.435(4)
S1	C1	1.738(3)	C1	C2	1.367(5)
S7	Na5⁵	3.1564(16)	N5	C11	1.155(5)
S7	Na1⁵	2.9981(17)	C12	C10	1.435(5)
S7	C13	1.732(3)	C4	C2	1.438(5)
S5	Na3⁵	3.1862(14)	C9	C10	1.360(5)
S5	Na5⁸	3.1278(18)	C9	C11	1.433(5)
S5	C9	1.735(3)	C00Y	C019	1.458(7)
S6	Na2⁵	2.8315(16)	N00Z	C015	1.130(6)
S6	C10	1.732(4)	C15	C13	1.428(5)
S2	Na3⁴	3.0432(16)	N8	C16	1.156(5)
S2	C2	1.726(3)	C14	C13	1.366(4)
Na3	Na2	4.2084(18)	C14	C16	1.424(5)
Na3	N00J	2.867(5)	N013	C01A	1.119(9)
Na3	N3	2.537(4)	C015	C018	1.451(7)
Na3	N4⁹	2.650(3)	C01A	C01E	1.482(12)
Na3	N8	2.522(4)	N01B	C01G	1.180(10)
Na5	N013	2.544(7)	N01C	C01H	1.123(8)
Na5	N01B	2.592(9)	N14	C22	1.167(11)
Na2	N1	2.415(3)	C22	C18	1.634(18)
Na2	N00J	2.535(4)	C01G	C01I	1.464(11)
Na2	N7	2.424(4)	C01H	C17	1.434(10)
Na2	N013	2.734(5)

Table 4 Bond Lengths for DyMNT_031121_nbb_0m.

Atom

Length/Å

Atom

Length/Å

Dy01

2.7795(8)

Na2

C01A

3.127(6)

Dy01

S8¹

2.8446(8)

Na1

2.413(4)

Dy01

2.8136(8)

Na1

2.413(4)

Dy01

S1²

2.8707(8)

Na1

N00Z

2.488(4)

Dy01

S7¹

2.8710(8)

Na4

2.486(4)

Dy01

S5³

2.8395(8)

Na4

N01C

2.402(6)

Dy01

S6³

2.8026(9)

Na4

N14

2.526(8)

Dy01

S2²

2.8136(9)

1.373(4)

Dy01

Na1⁴

3.9269(14)

1.433(4)

Na1⁴

2.9251(16)

1.429(5)

1.728(3)

1.153(4)

Na1⁵

3.1853(16)

1.143(5)

Na4⁶

2.8794(19)

N00J

C00Y

1.159(6)

C14

1.741(3)

1.147(5)

Na5⁷

2.9689(15)

C15

1.153(5)

1.727(3)

C12

1.149(5)

Na2⁴

3.0851(16)

1.150(5)

Na4³

2.896(2)

1.435(4)

1.738(3)

1.367(5)

Na5⁵

3.1564(16)

C11

1.155(5)

Na1⁵

2.9981(17)

C12

C10

1.435(5)

C13

1.732(3)

1.438(5)

Na3⁵

3.1862(14)

C10

1.360(5)

Na5⁸

3.1278(18)

C11

1.433(5)

1.735(3)

C00Y

C019

1.458(7)

Na2⁵

2.8315(16)

N00Z

C015

1.130(6)

C10

1.732(4)

C15

C13

1.428(5)

Na3⁴

3.0432(16)

C16

1.156(5)

1.726(3)

C14

C13

1.366(4)

Na3

Na2

4.2084(18)

C14

C16

1.424(5)

Na3

N00J

2.867(5)

N013

C01A

1.119(9)

Na3

2.537(4)

C015

C018

1.451(7)

Na3

N4⁹

2.650(3)

C01A

C01E

1.482(12)

Na3

2.522(4)

N01B

C01G

1.180(10)

Na5

N013

2.544(7)

N01C

C01H

1.123(8)

Na5

N01B

2.592(9)

N14

C22

1.167(11)

Na2

2.415(3)

C22

C18

1.634(18)

Na2

N00J

2.535(4)

C01G

C01I

1.464(11)

Na2

2.424(4)

C01H

C17

1.434(10)

Na2

N013

2.734(5)

¹1+X,+Y,+Z; ²3/2-X,1/2+Y,1/2-Z; ³1/2-X,1/2+Y,1/2-Z; ⁴1-X,1-Y,1-Z; ⁵-X,1-Y,1-Z; ⁶+X,1+Y,+Z; ⁷1/2+X,3/2-Y,-1/2+Z; ⁸-1/2+X,1/2-Y,-1/2+Z; ⁹1-X,2-Y,1-Z

Table 5 Bond Angles for DyMNT_031121_nbb_0m.
Atom	Atom	Atom	Angle/˚	Atom	Atom	Atom	Angle/˚
S3	Dy01	S8¹	95.75(2)	N1	Na2	Na3	130.11(9)
S3	Dy01	S4	73.54(2)	N1	Na2	N00J	90.08(14)
S3	Dy01	S1²	136.69(2)	N1	Na2	N7	102.57(13)
S3	Dy01	S7¹	80.59(2)	N1	Na2	N013	82.43(15)
S3	Dy01	S5³	72.82(2)	N1	Na2	C01A	73.78(15)
S3	Dy01	S6³	86.92(3)	N00J	Na2	S1⁴	91.98(10)
S3	Dy01	S2²	150.43(2)	N00J	Na2	S6⁶	99.48(12)
S3	Dy01	Na1⁴	48.06(3)	N00J	Na2	Na3	41.76(11)
S8¹	Dy01	S1²	86.61(2)	N00J	Na2	N013	170.54(18)
S8¹	Dy01	S7¹	69.85(2)	N00J	Na2	C01A	150.55(19)
S8¹	Dy01	Na1⁴	53.25(3)	N7	Na2	S1⁴	164.53(10)
S4	Dy01	S8¹	71.06(3)	N7	Na2	S6⁶	94.47(10)
S4	Dy01	S1²	66.42(2)	N7	Na2	Na3	93.03(9)
S4	Dy01	S7¹	129.98(3)	N7	Na2	N00J	91.88(14)
S4	Dy01	S5³	139.09(2)	N7	Na2	N013	84.17(17)
S4	Dy01	S2²	135.41(3)	N7	Na2	C01A	68.68(15)
S4	Dy01	Na1⁴	82.18(3)	N013	Na2	S1⁴	94.08(15)
S1²	Dy01	S7¹	138.87(2)	N013	Na2	S6⁶	89.42(14)
S1²	Dy01	Na1⁴	135.98(3)	N013	Na2	Na3	146.83(13)
S7¹	Dy01	Na1⁴	49.40(3)	N013	Na2	C01A	20.65(19)
S5³	Dy01	S8¹	134.89(2)	C01A	Na2	Na3	153.95(12)
S5³	Dy01	S1²	131.76(3)	S3⁴	Na1	Dy01⁴	44.98(2)
S5³	Dy01	S7¹	65.30(2)	S3⁴	Na1	S8⁶	86.00(4)
S5³	Dy01	Na1⁴	92.19(3)	S3⁴	Na1	S7⁶	76.19(4)
S6³	Dy01	S8¹	153.36(3)	S8⁶	Na1	Dy01⁴	45.69(2)
S6³	Dy01	S4	84.45(3)	S7⁶	Na1	Dy01⁴	46.64(2)
S6³	Dy01	S1²	73.75(3)	S7⁶	Na1	S8⁶	63.82(3)
S6³	Dy01	S7¹	136.48(3)	N2	Na1	Dy01⁴	134.29(10)
S6³	Dy01	S5³	71.18(3)	N2	Na1	S3⁴	91.74(10)
S6³	Dy01	S2²	100.07(3)	N2	Na1	S8⁶	173.30(11)
S6³	Dy01	Na1⁴	134.97(3)	N2	Na1	S7⁶	121.74(10)
S2²	Dy01	S8¹	90.62(3)	N2	Na1	N6	93.02(14)
S2²	Dy01	S1²	72.38(2)	N2	Na1	N00Z	88.86(14)
S2²	Dy01	S7¹	74.60(3)	N6	Na1	Dy01⁴	127.32(10)
S2²	Dy01	S5³	82.26(3)	N6	Na1	S3⁴	169.42(11)
S2²	Dy01	Na1⁴	119.32(3)	N6	Na1	S8⁶	90.27(10)
Dy01	S3	Na1⁴	86.96(4)	N6	Na1	S7⁶	93.28(10)
C5	S3	Dy01	108.61(11)	N6	Na1	N00Z	88.78(14)
C5	S3	Na1⁴	90.54(11)	N00Z	Na1	Dy01⁴	109.92(11)
Dy01⁵	S8	Na1⁶	81.05(3)	N00Z	Na1	S3⁴	100.76(11)
Dy01⁵	S8	Na4⁷	94.37(4)	N00Z	Na1	S8⁶	85.38(12)
Na4⁷	S8	Na1⁶	161.80(6)	N00Z	Na1	S7⁶	149.12(12)
C14	S8	Dy01⁵	105.53(12)	S8¹⁵	Na4	S1¹⁰	85.50(5)
C14	S8	Na1⁶	84.55(12)	N5	Na4	S8¹⁵	101.08(11)
C14	S8	Na4⁷	113.62(13)	N5	Na4	S1¹⁰	100.92(10)
Dy01	S4	Na5⁸	118.59(4)	N5	Na4	N14	149.6(2)
C6	S4	Dy01	107.76(11)	N01C	Na4	S8¹⁵	165.5(2)
C6	S4	Na5⁸	93.15(11)	N01C	Na4	S1¹⁰	107.85(18)
Dy01⁹	S1	Na2⁴	101.86(3)	N01C	Na4	N5	82.4(2)
Dy01⁹	S1	Na4³	93.47(4)	N01C	Na4	N14	81.8(3)
Na4³	S1	Na2⁴	164.50(5)	N14	Na4	S8¹⁵	88.63(17)
C1	S1	Dy01⁹	107.85(11)	N14	Na4	S1¹⁰	108.6(2)
C1	S1	Na2⁴	91.97(11)	C5	C6	S4	124.8(2)
C1	S1	Na4³	85.35(12)	C5	C6	C8	119.4(3)
Dy01⁵	S7	Na5⁶	117.03(4)	C8	C6	S4	115.8(2)
Dy01⁵	S7	Na1⁶	83.96(4)	C6	C5	S3	124.9(2)
Na1⁶	S7	Na5⁶	115.59(4)	C6	C5	C7	119.9(3)
C13	S7	Dy01⁵	105.28(11)	C7	C5	S3	115.2(2)
C13	S7	Na5⁶	132.99(12)	C3	N1	Na2	176.0(3)
C13	S7	Na1⁶	87.20(11)	C4	N2	Na1	163.7(3)
Dy01¹⁰	S5	Na3⁶	86.74(3)	Na2	N00J	Na3	102.16(15)
Dy01¹⁰	S5	Na5¹¹	118.94(4)	C00Y	N00J	Na3	140.5(3)
Na5¹¹	S5	Na3⁶	114.56(4)	C00Y	N00J	Na2	114.3(3)
C9	S5	Dy01¹⁰	106.23(12)	C7	N3	Na3	168.7(3)
C9	S5	Na3⁶	88.25(11)	N3	C7	C5	175.7(4)
C9	S5	Na5¹¹	129.41(12)	C15	N7	Na2	145.4(3)
Dy01¹⁰	S6	Na2⁶	110.38(4)	C12	N6	Na1	157.3(3)
C10	S6	Dy01¹⁰	107.10(12)	N4	C8	C6	176.1(4)
C10	S6	Na2⁶	133.25(12)	C3	C1	S1	116.5(2)
Dy01⁹	S2	Na3⁴	90.03(3)	C2	C1	S1	124.6(2)
C2	S2	Dy01⁹	109.44(12)	C2	C1	C3	118.9(3)
C2	S2	Na3⁴	100.27(12)	C8	N4	Na3¹²	154.5(3)
S5⁶	Na3	Na2	98.19(4)	N1	C3	C1	178.1(4)
S2⁴	Na3	S5⁶	73.26(3)	C11	N5	Na4	158.1(3)
S2⁴	Na3	Na2	83.22(4)	N6	C12	C10	178.4(4)
N00J	Na3	S5⁶	132.96(9)	N2	C4	C2	179.5(4)
N00J	Na3	S2⁴	87.09(9)	C10	C9	S5	123.0(3)
N00J	Na3	Na2	36.08(8)	C10	C9	C11	119.9(3)
N3	Na3	S5⁶	142.47(11)	C11	C9	S5	117.1(3)
N3	Na3	S2⁴	91.10(12)	C1	C2	S2	125.5(2)
N3	Na3	Na2	113.93(9)	C1	C2	C4	118.2(3)
N3	Na3	N00J	78.03(12)	C4	C2	S2	116.3(3)
N3	Na3	N4¹²	77.03(12)	C12	C10	S6	117.0(3)
N4¹²	Na3	S5⁶	76.28(8)	C9	C10	S6	124.4(3)
N4¹²	Na3	S2⁴	108.77(9)	C9	C10	C12	118.6(3)
N4¹²	Na3	Na2	164.15(9)	N00J	C00Y	C019	178.7(5)
N4¹²	Na3	N00J	150.54(12)	C015	N00Z	Na1	126.7(4)
N8	Na3	S5⁶	102.85(12)	N7	C15	C13	178.8(4)
N8	Na3	S2⁴	160.23(11)	C16	N8	Na3	158.7(4)
N8	Na3	Na2	78.12(9)	C13	C14	S8	123.0(3)
N8	Na3	N00J	81.71(13)	C13	C14	C16	118.7(3)
N8	Na3	N3	102.35(17)	C16	C14	S8	118.0(3)
N8	Na3	N4¹²	88.54(12)	Na5	N013	Na2	110.0(2)
S4¹³	Na5	S7⁶	145.91(6)	C01A	N013	Na5	149.5(5)
S4¹³	Na5	S5¹⁴	87.35(4)	C01A	N013	Na2	99.9(5)
S5¹⁴	Na5	S7⁶	58.71(3)	N5	C11	C9	177.8(4)
N013	Na5	S4¹³	121.60(12)	N00Z	C015	C018	177.8(5)
N013	Na5	S7⁶	82.89(11)	C15	C13	S7	117.9(2)
N013	Na5	S5¹⁴	121.06(13)	C14	C13	S7	123.6(3)
N013	Na5	N01B	119.70(19)	C14	C13	C15	118.5(3)
N01B	Na5	S4¹³	97.98(15)	N8	C16	C14	178.2(5)
N01B	Na5	S7⁶	87.35(19)	N013	C01A	Na2	59.5(4)
N01B	Na5	S5¹⁴	102.58(18)	N013	C01A	C01E	176.7(7)
S1⁴	Na2	Na3	80.01(4)	C01E	C01A	Na2	117.3(5)
S1⁴	Na2	C01A	112.73(15)	C01G	N01B	Na5	141.9(7)
S6⁶	Na2	S1⁴	70.12(4)	C01H	N01C	Na4	147.6(6)
S6⁶	Na2	Na3	57.76(4)	C22	N14	Na4	176.5(7)
S6⁶	Na2	C01A	103.77(15)	N14	C22	C18	174.7(11)
N1	Na2	S1⁴	92.39(9)	N01B	C01G	C01I	177.5(10)
N1	Na2	S6⁶	160.19(10)	N01C	C01H	C17	176.9(9)

Table 5 Bond Angles for DyMNT_031121_nbb_0m.

Atom

Angle/˚

Atom

Angle/˚

Dy01

S8¹

95.75(2)

Na2

Na3

130.11(9)

Dy01

73.54(2)

Na2

N00J

90.08(14)

Dy01

S1²

136.69(2)

Na2

102.57(13)

Dy01

S7¹

80.59(2)

Na2

N013

82.43(15)

Dy01

S5³

72.82(2)

Na2

C01A

73.78(15)

Dy01

S6³

86.92(3)

N00J

Na2

S1⁴

91.98(10)

Dy01

S2²

150.43(2)

N00J

Na2

S6⁶

99.48(12)

Dy01

Na1⁴

48.06(3)

N00J

Na2

Na3

41.76(11)

S8¹

Dy01

S1²

86.61(2)

N00J

Na2

N013

170.54(18)

S8¹

Dy01

S7¹

69.85(2)

N00J

Na2

C01A

150.55(19)

S8¹

Dy01

Na1⁴

53.25(3)

Na2

S1⁴

164.53(10)

Dy01

S8¹

71.06(3)

Na2

S6⁶

94.47(10)

Dy01

S1²

66.42(2)

Na2

Na3

93.03(9)

Dy01

S7¹

129.98(3)

Na2

N00J

91.88(14)

Dy01

S5³

139.09(2)

Na2

N013

84.17(17)

Dy01

S2²

135.41(3)

Na2

C01A

68.68(15)

Dy01

Na1⁴

82.18(3)

N013

Na2

S1⁴

94.08(15)

S1²

Dy01

S7¹

138.87(2)

N013

Na2

S6⁶

89.42(14)

S1²

Dy01

Na1⁴

135.98(3)

N013

Na2

Na3

146.83(13)

S7¹

Dy01

Na1⁴

49.40(3)

N013

Na2

C01A

20.65(19)

S5³

Dy01

S8¹

134.89(2)

C01A

Na2

Na3

153.95(12)

S5³

Dy01

S1²

131.76(3)

S3⁴

Na1

Dy01⁴

44.98(2)

S5³

Dy01

S7¹

65.30(2)

S3⁴

Na1

S8⁶

86.00(4)

S5³

Dy01

Na1⁴

92.19(3)

S3⁴

Na1

S7⁶

76.19(4)

S6³

Dy01

S8¹

153.36(3)

S8⁶

Na1

Dy01⁴

45.69(2)

S6³

Dy01

84.45(3)

S7⁶

Na1

Dy01⁴

46.64(2)

S6³

Dy01

S1²

73.75(3)

S7⁶

Na1

S8⁶

63.82(3)

S6³

Dy01

S7¹

136.48(3)

Na1

Dy01⁴

134.29(10)

S6³

Dy01

S5³

71.18(3)

Na1

S3⁴

91.74(10)

S6³

Dy01

S2²

100.07(3)

Na1

S8⁶

173.30(11)

S6³

Dy01

Na1⁴

134.97(3)

Na1

S7⁶

121.74(10)

S2²

Dy01

S8¹

90.62(3)

Na1

93.02(14)

S2²

Dy01

S1²

72.38(2)

Na1

N00Z

88.86(14)

S2²

Dy01

S7¹

74.60(3)

Na1

Dy01⁴

127.32(10)

S2²

Dy01

S5³

82.26(3)

Na1

S3⁴

169.42(11)

S2²

Dy01

Na1⁴

119.32(3)

Na1

S8⁶

90.27(10)

Dy01

Na1⁴

86.96(4)

Na1

S7⁶

93.28(10)

Dy01

108.61(11)

Na1

N00Z

88.78(14)

Na1⁴

90.54(11)

N00Z

Na1

Dy01⁴

109.92(11)

Dy01⁵

Na1⁶

81.05(3)

N00Z

Na1

S3⁴

100.76(11)

Dy01⁵

Na4⁷

94.37(4)

N00Z

Na1

S8⁶

85.38(12)

Na4⁷

Na1⁶

161.80(6)

N00Z

Na1

S7⁶

149.12(12)

C14

Dy01⁵

105.53(12)

S8¹⁵

Na4

S1¹⁰

85.50(5)

C14

Na1⁶

84.55(12)

Na4

S8¹⁵

101.08(11)

C14

Na4⁷

113.62(13)

Na4

S1¹⁰

100.92(10)

Dy01

Na5⁸

118.59(4)

Na4

N14

149.6(2)

Dy01

107.76(11)

N01C

Na4

S8¹⁵

165.5(2)

Na5⁸

93.15(11)

N01C

Na4

S1¹⁰

107.85(18)

Dy01⁹

Na2⁴

101.86(3)

N01C

Na4

82.4(2)

Dy01⁹

Na4³

93.47(4)

N01C

Na4

N14

81.8(3)

Na4³

Na2⁴

164.50(5)

N14

Na4

S8¹⁵

88.63(17)

Dy01⁹

107.85(11)

N14

Na4

S1¹⁰

108.6(2)

Na2⁴

91.97(11)

124.8(2)

Na4³

85.35(12)

119.4(3)

Dy01⁵

Na5⁶

117.03(4)

115.8(2)

Dy01⁵

Na1⁶

83.96(4)

124.9(2)

Na1⁶

Na5⁶

115.59(4)

119.9(3)

C13

Dy01⁵

105.28(11)

115.2(2)

C13

Na5⁶

132.99(12)

Na2

176.0(3)

C13

Na1⁶

87.20(11)

Na1

163.7(3)

Dy01¹⁰

Na3⁶

86.74(3)

Na2

N00J

Na3

102.16(15)

Dy01¹⁰

Na5¹¹

118.94(4)

C00Y

N00J

Na3

140.5(3)

Na5¹¹

Na3⁶

114.56(4)

C00Y

N00J

Na2

114.3(3)

Dy01¹⁰

106.23(12)

Na3

168.7(3)

Na3⁶

88.25(11)

175.7(4)

Na5¹¹

129.41(12)

C15

Na2

145.4(3)

Dy01¹⁰

Na2⁶

110.38(4)

C12

Na1

157.3(3)

C10

Dy01¹⁰

107.10(12)

176.1(4)

C10

Na2⁶

133.25(12)

116.5(2)

Dy01⁹

Na3⁴

90.03(3)

124.6(2)

Dy01⁹

109.44(12)

118.9(3)

Na3⁴

100.27(12)

Na3¹²

154.5(3)

S5⁶

Na3

Na2

98.19(4)

178.1(4)

S2⁴

Na3

S5⁶

73.26(3)

C11

Na4

158.1(3)

S2⁴

Na3

Na2

83.22(4)

C12

C10

178.4(4)

N00J

Na3

S5⁶

132.96(9)

179.5(4)

N00J

Na3

S2⁴

87.09(9)

C10

123.0(3)

N00J

Na3

Na2

36.08(8)

C10

C11

119.9(3)

Na3

S5⁶

142.47(11)

C11

117.1(3)

Na3

S2⁴

91.10(12)

125.5(2)

Na3

Na2

113.93(9)

118.2(3)

Na3

N00J

78.03(12)

116.3(3)

Na3

N4¹²

77.03(12)

C12

C10

117.0(3)

N4¹²

Na3

S5⁶

76.28(8)

C10

124.4(3)

N4¹²

Na3

S2⁴

108.77(9)

C10

C12

118.6(3)

N4¹²

Na3

Na2

164.15(9)

N00J

C00Y

C019

178.7(5)

N4¹²

Na3

N00J

150.54(12)

C015

N00Z

Na1

126.7(4)

Na3

S5⁶

102.85(12)

C15

C13

178.8(4)

Na3

S2⁴

160.23(11)

C16

Na3

158.7(4)

Na3

Na2

78.12(9)

C13

C14

123.0(3)

Na3

N00J

81.71(13)

C13

C14

C16

118.7(3)

Na3

102.35(17)

C16

C14

118.0(3)

Na3

N4¹²

88.54(12)

Na5

N013

Na2

110.0(2)

S4¹³

Na5

S7⁶

145.91(6)

C01A

N013

Na5

149.5(5)

S4¹³

Na5

S5¹⁴

87.35(4)

C01A

N013

Na2

99.9(5)

S5¹⁴

Na5

S7⁶

58.71(3)

C11

177.8(4)

N013

Na5

S4¹³

121.60(12)

N00Z

C015

C018

177.8(5)

N013

Na5

S7⁶

82.89(11)

C15

C13

117.9(2)

N013

Na5

S5¹⁴

121.06(13)

C14

C13

123.6(3)

N013

Na5

N01B

119.70(19)

C14

C13

C15

118.5(3)

N01B

Na5

S4¹³

97.98(15)

C16

C14

178.2(5)

N01B

Na5

S7⁶

87.35(19)

N013

C01A

Na2

59.5(4)

N01B

Na5

S5¹⁴

102.58(18)

N013

C01A

C01E

176.7(7)

S1⁴

Na2

Na3

80.01(4)

C01E

C01A

Na2

117.3(5)

S1⁴

Na2

C01A

112.73(15)

C01G

N01B

Na5

141.9(7)

S6⁶

Na2

S1⁴

70.12(4)

C01H

N01C

Na4

147.6(6)

S6⁶

Na2

Na3

57.76(4)

C22

N14

Na4

176.5(7)

S6⁶

Na2

C01A

103.77(15)

N14

C22

C18

174.7(11)

Na2

S1⁴

92.39(9)

N01B

C01G

C01I

177.5(10)

Na2

S6⁶

160.19(10)

N01C

C01H

C17

176.9(9)

¹1+X,+Y,+Z; ²3/2-X,1/2+Y,1/2-Z; ³1/2-X,1/2+Y,1/2-Z; ⁴1-X,1-Y,1-Z; ⁵-1+X,+Y,+Z; ⁶-X,1-Y,1-Z; ⁷+X,1+Y,+Z; ⁸1/2+X,3/2-Y,-1/2+Z; ⁹3/2-X,-1/2+Y,1/2-Z; ¹⁰1/2-X,-1/2+Y,1/2-Z; ¹¹-1/2+X,1/2-Y,-1/2+Z; ¹²1-X,2-Y,1-Z; ¹³-1/2+X,3/2-Y,1/2+Z; ¹⁴1/2+X,1/2-Y,1/2+Z; ¹⁵+X,-1+Y,+Z

Table 6 Torsion Angles for DyMNT_031121_nbb_0m.
A	B	C	D	Angle/˚	A	B	C	D	Angle/˚
Dy01	S3	C5	C6	4.7(3)	Na5⁶	S4	C6	C8	-64.1(3)
Dy01	S3	C5	C7	-176.5(2)	Na5⁴	S7	C13	C15	-4.1(3)
Dy01¹	S8	C14	C13	-28.9(3)	Na5⁴	S7	C13	C14	179.0(2)
Dy01¹	S8	C14	C16	157.7(3)	Na5⁷	S5	C9	C10	176.3(2)
Dy01	S4	C6	C5	-4.5(3)	Na5⁷	S5	C9	C11	-5.0(3)
Dy01	S4	C6	C8	174.5(2)	Na5	N013	C01A	Na2	168.1(11)
Dy01²	S1	C1	C3	-175.1(2)	Na2⁵	S1	C1	C3	81.8(2)
Dy01²	S1	C1	C2	4.6(3)	Na2⁵	S1	C1	C2	-98.6(3)
Dy01¹	S7	C13	C15	-158.1(2)	Na2⁴	S6	C10	C12	-57.2(3)
Dy01¹	S7	C13	C14	25.0(3)	Na2⁴	S6	C10	C9	122.3(3)
Dy01³	S5	C9	C10	23.2(3)	Na1⁵	S3	C5	C6	91.7(3)
Dy01³	S5	C9	C11	-158.1(2)	Na1⁵	S3	C5	C7	-89.5(3)
Dy01³	S6	C10	C12	160.7(2)	Na1⁴	S8	C14	C13	50.2(3)
Dy01³	S6	C10	C9	-19.8(3)	Na1⁴	S8	C14	C16	-123.1(3)
Dy01²	S2	C2	C1	-2.5(3)	Na1⁴	S7	C13	C15	119.0(3)
Dy01²	S2	C2	C4	176.7(2)	Na1⁴	S7	C13	C14	-57.9(3)
S8	C14	C13	S7	2.5(5)	Na4⁸	S8	C14	C13	-130.9(3)
S8	C14	C13	C15	-174.3(3)	Na4⁸	S8	C14	C16	55.7(3)
S4	C6	C5	S3	-0.1(5)	Na4⁹	S1	C1	C3	-83.0(2)
S4	C6	C5	C7	-178.8(3)	Na4⁹	S1	C1	C2	96.7(3)
S1	C1	C2	S2	-1.6(5)	C8	C6	C5	S3	-179.0(3)
S1	C1	C2	C4	179.3(3)	C8	C6	C5	C7	2.2(5)
S5	C9	C10	S6	-2.7(4)	C3	C1	C2	S2	178.1(3)
S5	C9	C10	C12	176.8(3)	C3	C1	C2	C4	-1.1(5)
Na3⁴	S5	C9	C10	-62.9(3)	C11	C9	C10	S6	178.6(3)
Na3⁴	S5	C9	C11	115.8(3)	C11	C9	C10	C12	-1.9(5)
Na3⁵	S2	C2	C1	91.2(3)	C16	C14	C13	S7	175.9(3)
Na3⁵	S2	C2	C4	-89.6(3)	C16	C14	C13	C15	-1.0(5)
Na5⁶	S4	C6	C5	116.9(3)

Table 6 Torsion Angles for DyMNT_031121_nbb_0m.

Angle/˚

Dy01

4.7(3)

Na5⁶

-64.1(3)

Dy01

-176.5(2)

Na5⁴

C13

C15

-4.1(3)

Dy01¹

C14

C13

-28.9(3)

Na5⁴

C13

C14

179.0(2)

Dy01¹

C14

C16

157.7(3)

Na5⁷

C10

176.3(2)

Dy01

-4.5(3)

Na5⁷

C11

-5.0(3)

Dy01

174.5(2)

Na5

N013

C01A

Na2

168.1(11)

Dy01²

-175.1(2)

Na2⁵

81.8(2)

Dy01²

4.6(3)

Na2⁵

-98.6(3)

Dy01¹

C13

C15

-158.1(2)

Na2⁴

C10

C12

-57.2(3)

Dy01¹

C13

C14

25.0(3)

Na2⁴

C10

122.3(3)

Dy01³

C10

23.2(3)

Na1⁵

91.7(3)

Dy01³

C11

-158.1(2)

Na1⁵

-89.5(3)

Dy01³

C10

C12

160.7(2)

Na1⁴

C14

C13

50.2(3)

Dy01³

C10

-19.8(3)

Na1⁴

C14

C16

-123.1(3)

Dy01²

-2.5(3)

Na1⁴

C13

C15

119.0(3)

Dy01²

176.7(2)

Na1⁴

C13

C14

-57.9(3)

C14

C13

2.5(5)

Na4⁸

C14

C13

-130.9(3)

C14

C13

C15

-174.3(3)

Na4⁸

C14

C16

55.7(3)

-0.1(5)

Na4⁹

-83.0(2)

-178.8(3)

Na4⁹

96.7(3)

-1.6(5)

-179.0(3)

179.3(3)

2.2(5)

C10

-2.7(4)

178.1(3)

C10

C12

176.8(3)

-1.1(5)

Na3⁴

C10

-62.9(3)

C11

C10

178.6(3)

Na3⁴

C11

115.8(3)

C11

C10

C12

-1.9(5)

Na3⁵

91.2(3)

C16

C14

C13

175.9(3)

Na3⁵

-89.6(3)

C16

C14

C13

C15

-1.0(5)

Na5⁶

116.9(3)

¹-1+X,+Y,+Z; ²3/2-X,-1/2+Y,1/2-Z; ³1/2-X,-1/2+Y,1/2-Z; ⁴-X,1-Y,1-Z; ⁵1-X,1-Y,1-Z; ⁶1/2+X,3/2-Y,-1/2+Z; ⁷-1/2+X,1/2-Y,-1/2+Z; ⁸+X,1+Y,+Z; ⁹1/2-X,1/2+Y,1/2-Z

Experimental

Single crystals of C₂₈DyN₁₄Na₅S₈ [DyMNT_031121_nbb_0m] were []. A suitable crystal was selected and [] on a Bruker APEX-II CCD diffractometer. The crystal was kept at 100.00 K during data collection. Using Olex2 [1], the structure was solved with the Unknown [2] structure solution program using Unknown and refined with the Unknown [3] refinement package using Unknown minimisation.

Dolomanov, O.V., Bourhis, L.J., Gildea, R.J, Howard, J.A.K. & Puschmann, H. (2009), J. Appl. Cryst. 42, 339-341.

Crystal structure determination of [DyMNT_031121_nbb_0m]

Crystal Data for C₂₈DyN₁₄Na₅S₈ (M =1066.35 g/mol): monoclinic, space group P2₁/n (no. 14), a = 13.6517(5) Å, b = 18.3713(7) Å, c = 17.5608(7) Å, β = 92.0630(10)°, V = 4401.4(3) Å³, Z = 4, T = 100.00 K, μ(MoKα) = 2.166 mm^-1, Dcalc = 1.609 g/cm³, 115015 reflections measured (4.44° ≤ 2Θ ≤ 63.09°), 14672 unique (R_int = 0.0361, R_sigma = 0.0214) which were used in all calculations. The final R₁ was 0.0377 (I > 2σ(I)) and wR₂ was 0.1099 (all data).

Refinement model description

Number of restraints - 0, number of constraints - unknown.

Details:

N/A

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