metal-organic compounds
Bis{μ-1,3-bis[2-(5-bromo-2-oxidobenzylideneamino)ethyl]-2-(5-bromo-2-oxidophenyl)-1,3-imidazolidine}dineodymium(III) N,N-dimethylformamide hexasolvate
aDepartment of Chemistry and Science of Life, Quanzhou Normal University, Fujian 362000, People's Republic of China
*Correspondence e-mail: hml301@163.com
In the title centrosymmetric dinuclear complex, [Nd2(C27H24Br3N4O3)2]·6C3H7NO, the NdIII ion is coordinated in a slightly distorted square-antiprismatic geometry by four N atoms and four O atoms from two centrosymmetrically-related 1,3-bis[2-(5-bromo-2-oxidobenzylamino)ethyl]-2-(5-bromo-2-oxidophenyl)-1,3-imidazolidine ligands. The Nd⋯Nd separation is 4.5012 (12) Å.
Related literature
For general background to tripodal ligands, see: Bian et al. (2008); Palaniandavar et al. (2006); Velusamy et al. (2004). For related structures, see: Fondo et al. (2005); Xie et al. (2009); Yang et al. (1995).
Experimental
Crystal data
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Refinement
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Data collection: APEX2 (Bruker, 2007); cell SAINT (Bruker, 2007); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: SHELXTL (Sheldrick, 2008); software used to prepare material for publication: SHELXTL.
Supporting information
10.1107/S1600536809047564/hy2250sup1.cif
contains datablocks global, I. DOI:Structure factors: contains datablock I. DOI: 10.1107/S1600536809047564/hy2250Isup2.hkl
A mixture of H3brapi (1 mmol), Nd(NO3)3.6H2O (1 mmol) and DMF (12 ml) was sealed in a 18 ml Teflon-lined stainless steel reactor and heated in an oven at 353 K for 5 d, and then slowly cooled to room temperature. Orange hexagonal prism crystals of the title complex were collected.
H atoms were placed at calculated positions (C—H = 0.93–0.98 Å) and were allowed to ride on their parent atoms, with Uiso(H) = 1.2(1.5 for methyl)Ueq(C).
Data collection: APEX2 (Bruker, 2007); cell
SAINT (Bruker, 2007); data reduction: SAINT (Bruker, 2007); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: SHELXTL (Sheldrick, 2008); software used to prepare material for publication: SHELXTL (Sheldrick, 2008).Fig. 1. The molecular structure of the title compound. Displacement ellipsoids are drawn at the 30% probability level. [Symmetry codes: (i) -x+2, -y+1, -z+2.] |
[Nd2(C27H24Br3N4O3)2]·6C3H7NO | F(000) = 2092 |
Mr = 2111.46 | Dx = 1.593 Mg m−3 |
Monoclinic, P21/c | Mo Kα radiation, λ = 0.71073 Å |
Hall symbol: -P 2ybc | Cell parameters from 3640 reflections |
a = 14.624 (6) Å | θ = 2.3–20.3° |
b = 22.460 (4) Å | µ = 3.95 mm−1 |
c = 13.663 (4) Å | T = 296 K |
β = 101.133 (6)° | Prism, orange |
V = 4403 (2) Å3 | 0.25 × 0.23 × 0.22 mm |
Z = 2 |
Bruke APEXII CCD diffractometer | 8078 independent reflections |
Radiation source: fine-focus sealed tube | 5119 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.057 |
ϕ and ω scans | θmax = 25.5°, θmin = 2.3° |
Absorption correction: multi-scan (SADABS; Sheldrick, 1996) | h = −17→13 |
Tmin = 0.438, Tmax = 0.477 | k = −27→27 |
25933 measured reflections | l = −16→16 |
Refinement on F2 | Primary atom site location: structure-invariant direct methods |
Least-squares matrix: full | Secondary atom site location: difference Fourier map |
R[F2 > 2σ(F2)] = 0.046 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.120 | H-atom parameters constrained |
S = 1.02 | w = 1/[σ2(Fo2) + (0.0539P)2 + 1.2941P] where P = (Fo2 + 2Fc2)/3 |
8078 reflections | (Δ/σ)max = 0.001 |
484 parameters | Δρmax = 0.84 e Å−3 |
62 restraints | Δρmin = −0.78 e Å−3 |
[Nd2(C27H24Br3N4O3)2]·6C3H7NO | V = 4403 (2) Å3 |
Mr = 2111.46 | Z = 2 |
Monoclinic, P21/c | Mo Kα radiation |
a = 14.624 (6) Å | µ = 3.95 mm−1 |
b = 22.460 (4) Å | T = 296 K |
c = 13.663 (4) Å | 0.25 × 0.23 × 0.22 mm |
β = 101.133 (6)° |
Bruke APEXII CCD diffractometer | 8078 independent reflections |
Absorption correction: multi-scan (SADABS; Sheldrick, 1996) | 5119 reflections with I > 2σ(I) |
Tmin = 0.438, Tmax = 0.477 | Rint = 0.057 |
25933 measured reflections |
R[F2 > 2σ(F2)] = 0.046 | 62 restraints |
wR(F2) = 0.120 | H-atom parameters constrained |
S = 1.02 | Δρmax = 0.84 e Å−3 |
8078 reflections | Δρmin = −0.78 e Å−3 |
484 parameters |
x | y | z | Uiso*/Ueq | ||
Nd1 | 1.09682 (2) | 0.516119 (15) | 0.91542 (2) | 0.04309 (12) | |
O1 | 0.8295 (3) | 0.57032 (18) | 1.1258 (3) | 0.0549 (12) | |
O2 | 1.1124 (3) | 0.61662 (18) | 0.8752 (3) | 0.0551 (11) | |
O3 | 0.9518 (3) | 0.55074 (16) | 0.9608 (3) | 0.0453 (10) | |
O4 | 0.7262 (6) | 0.4034 (4) | 0.5864 (6) | 0.143 (3) | |
O5 | 0.9895 (8) | 0.6783 (5) | 0.4013 (8) | 0.214 (4) | |
O6 | 0.4457 (4) | 0.4441 (2) | 0.1416 (4) | 0.0840 (16) | |
N1 | 0.7226 (4) | 0.4679 (2) | 1.0519 (4) | 0.0458 (13) | |
N2 | 0.8233 (3) | 0.44465 (19) | 0.8871 (3) | 0.0408 (12) | |
N3 | 0.9378 (4) | 0.4633 (2) | 0.7851 (3) | 0.0451 (13) | |
N4 | 1.0965 (4) | 0.5268 (2) | 0.7239 (4) | 0.0512 (14) | |
N5 | 0.6314 (6) | 0.4532 (5) | 0.4580 (6) | 0.111 (3) | |
N6 | 0.9545 (6) | 0.6979 (3) | 0.5551 (7) | 0.109 (2) | |
N7 | 0.4382 (5) | 0.3491 (3) | 0.0826 (4) | 0.0726 (18) | |
Br1 | 0.50063 (7) | 0.64057 (4) | 1.32131 (8) | 0.1009 (3) | |
Br2 | 1.33362 (7) | 0.75756 (4) | 0.61348 (6) | 0.0850 (3) | |
Br3 | 0.65268 (7) | 0.68123 (4) | 0.66156 (8) | 0.1146 (4) | |
C1 | 0.7576 (5) | 0.5835 (3) | 1.1687 (5) | 0.0470 (16) | |
C2 | 0.6724 (5) | 0.5486 (3) | 1.1534 (5) | 0.0490 (16) | |
C3 | 0.5970 (5) | 0.5677 (3) | 1.1966 (5) | 0.0617 (19) | |
H3 | 0.5415 | 0.5463 | 1.1833 | 0.074* | |
C4 | 0.6030 (5) | 0.6180 (3) | 1.2590 (5) | 0.0628 (19) | |
C5 | 0.6870 (6) | 0.6513 (3) | 1.2762 (5) | 0.067 (2) | |
H5 | 0.6925 | 0.6845 | 1.3176 | 0.080* | |
C6 | 0.7615 (5) | 0.6349 (3) | 1.2319 (5) | 0.068 (2) | |
H6 | 0.8154 | 0.6579 | 1.2437 | 0.081* | |
C7 | 0.6587 (5) | 0.4961 (3) | 1.0878 (5) | 0.0477 (16) | |
H7 | 0.5982 | 0.4816 | 1.0702 | 0.057* | |
C8 | 0.6907 (5) | 0.4201 (3) | 0.9770 (4) | 0.0504 (17) | |
H8A | 0.6237 | 0.4152 | 0.9677 | 0.060* | |
H8B | 0.7201 | 0.3826 | 0.9996 | 0.060* | |
C9 | 0.7180 (4) | 0.4389 (3) | 0.8787 (4) | 0.0477 (16) | |
H9A | 0.6943 | 0.4097 | 0.8277 | 0.057* | |
H9B | 0.6889 | 0.4768 | 0.8578 | 0.057* | |
C10 | 0.8680 (5) | 0.3849 (3) | 0.8719 (5) | 0.0569 (18) | |
H10A | 0.8961 | 0.3677 | 0.9357 | 0.068* | |
H10B | 0.8215 | 0.3574 | 0.8374 | 0.068* | |
C11 | 0.9415 (5) | 0.3967 (3) | 0.8102 (5) | 0.0585 (19) | |
H11A | 0.9291 | 0.3732 | 0.7494 | 0.070* | |
H11B | 1.0027 | 0.3861 | 0.8475 | 0.070* | |
C12 | 0.9465 (5) | 0.4751 (3) | 0.6783 (4) | 0.0545 (18) | |
H12A | 0.9173 | 0.5129 | 0.6572 | 0.065* | |
H12B | 0.9132 | 0.4443 | 0.6359 | 0.065* | |
C13 | 1.0481 (5) | 0.4765 (3) | 0.6639 (5) | 0.0579 (18) | |
H13A | 1.0788 | 0.4392 | 0.6858 | 0.070* | |
H13B | 1.0501 | 0.4821 | 0.5939 | 0.070* | |
C14 | 1.1301 (5) | 0.5694 (3) | 0.6763 (5) | 0.0592 (19) | |
H14 | 1.1281 | 0.5637 | 0.6085 | 0.071* | |
C15 | 1.1575 (5) | 0.6467 (3) | 0.8157 (5) | 0.0525 (17) | |
C16 | 1.1705 (5) | 0.6250 (3) | 0.7199 (5) | 0.0533 (17) | |
C17 | 1.2211 (5) | 0.6604 (3) | 0.6599 (5) | 0.0606 (19) | |
H17 | 1.2278 | 0.6466 | 0.5975 | 0.073* | |
C18 | 1.2598 (5) | 0.7148 (3) | 0.6938 (5) | 0.0606 (19) | |
C19 | 1.2454 (5) | 0.7379 (3) | 0.7859 (5) | 0.0606 (19) | |
H19 | 1.2693 | 0.7750 | 0.8076 | 0.073* | |
C20 | 1.1950 (5) | 0.7048 (3) | 0.8445 (5) | 0.0584 (18) | |
H20 | 1.1855 | 0.7210 | 0.9044 | 0.070* | |
C21 | 0.8421 (5) | 0.4808 (3) | 0.7978 (4) | 0.0476 (16) | |
H21 | 0.7977 | 0.4681 | 0.7384 | 0.057* | |
C22 | 0.8863 (4) | 0.5795 (3) | 0.8925 (4) | 0.0472 (16) | |
C23 | 0.8291 (4) | 0.5476 (3) | 0.8122 (4) | 0.0449 (15) | |
C24 | 0.7604 (5) | 0.5790 (3) | 0.7447 (5) | 0.0568 (18) | |
H24 | 0.7224 | 0.5586 | 0.6931 | 0.068* | |
C25 | 0.7488 (5) | 0.6406 (3) | 0.7547 (6) | 0.068 (2) | |
C26 | 0.8068 (5) | 0.6723 (3) | 0.8294 (6) | 0.071 (2) | |
H26 | 0.8011 | 0.7134 | 0.8334 | 0.086* | |
C27 | 0.8741 (5) | 0.6418 (3) | 0.8990 (5) | 0.0614 (19) | |
H27 | 0.9113 | 0.6630 | 0.9502 | 0.074* | |
C28 | 0.6559 (9) | 0.4070 (6) | 0.5211 (8) | 0.117 (4) | |
H28 | 0.6154 | 0.3747 | 0.5142 | 0.140* | |
C29 | 0.5455 (9) | 0.4509 (6) | 0.3801 (10) | 0.199 (7) | |
H29A | 0.5119 | 0.4150 | 0.3876 | 0.298* | |
H29B | 0.5619 | 0.4513 | 0.3153 | 0.298* | |
H29C | 0.5071 | 0.4847 | 0.3867 | 0.298* | |
C30 | 0.6919 (8) | 0.5047 (5) | 0.4636 (8) | 0.129 (4) | |
H30A | 0.7489 | 0.4969 | 0.5100 | 0.193* | |
H30B | 0.6614 | 0.5386 | 0.4856 | 0.193* | |
H30C | 0.7056 | 0.5126 | 0.3989 | 0.193* | |
C31 | 1.0027 (9) | 0.7059 (5) | 0.4841 (9) | 0.128 (3) | |
H31 | 1.0503 | 0.7340 | 0.4955 | 0.153* | |
C32 | 0.9706 (8) | 0.7371 (5) | 0.6416 (7) | 0.127 (3) | |
H32A | 0.9884 | 0.7138 | 0.7012 | 0.191* | |
H32B | 0.9145 | 0.7587 | 0.6446 | 0.191* | |
H32C | 1.0194 | 0.7647 | 0.6362 | 0.191* | |
C33 | 0.8992 (10) | 0.6434 (6) | 0.5505 (11) | 0.198 (5) | |
H33A | 0.8369 | 0.6512 | 0.5155 | 0.297* | |
H33B | 0.8976 | 0.6302 | 0.6170 | 0.297* | |
H33C | 0.9269 | 0.6131 | 0.5161 | 0.297* | |
C34 | 0.4033 (6) | 0.4034 (3) | 0.0944 (5) | 0.068 (2) | |
H34 | 0.3417 | 0.4105 | 0.0639 | 0.081* | |
C35 | 0.3825 (8) | 0.3037 (4) | 0.0193 (7) | 0.127 (4) | |
H35A | 0.3209 | 0.3188 | −0.0050 | 0.190* | |
H35B | 0.3788 | 0.2683 | 0.0578 | 0.190* | |
H35C | 0.4116 | 0.2945 | −0.0361 | 0.190* | |
C36 | 0.5326 (6) | 0.3332 (4) | 0.1312 (7) | 0.103 (3) | |
H36A | 0.5697 | 0.3262 | 0.0816 | 0.154* | |
H36B | 0.5310 | 0.2977 | 0.1701 | 0.154* | |
H36C | 0.5594 | 0.3651 | 0.1741 | 0.154* |
U11 | U22 | U33 | U12 | U13 | U23 | |
Nd1 | 0.0450 (2) | 0.0465 (2) | 0.03667 (18) | −0.00268 (17) | 0.00517 (14) | −0.00282 (15) |
O1 | 0.049 (3) | 0.050 (3) | 0.068 (3) | −0.004 (2) | 0.018 (2) | −0.007 (2) |
O2 | 0.068 (3) | 0.050 (3) | 0.049 (3) | 0.001 (2) | 0.017 (2) | 0.003 (2) |
O3 | 0.047 (3) | 0.045 (2) | 0.040 (2) | 0.003 (2) | 0.001 (2) | −0.0026 (18) |
O4 | 0.129 (7) | 0.168 (7) | 0.116 (6) | −0.006 (5) | −0.015 (5) | −0.020 (5) |
O5 | 0.231 (8) | 0.236 (8) | 0.191 (6) | −0.015 (6) | 0.082 (6) | −0.048 (6) |
O6 | 0.078 (4) | 0.063 (3) | 0.104 (4) | −0.008 (3) | 0.002 (3) | −0.014 (3) |
N1 | 0.047 (3) | 0.048 (3) | 0.042 (3) | −0.002 (3) | 0.008 (2) | −0.005 (2) |
N2 | 0.040 (3) | 0.041 (3) | 0.041 (3) | 0.002 (2) | 0.006 (2) | −0.008 (2) |
N3 | 0.052 (3) | 0.045 (3) | 0.038 (3) | 0.003 (2) | 0.010 (2) | −0.006 (2) |
N4 | 0.057 (4) | 0.055 (3) | 0.042 (3) | −0.006 (3) | 0.008 (3) | −0.007 (2) |
N5 | 0.101 (7) | 0.152 (8) | 0.072 (5) | 0.000 (6) | −0.003 (5) | −0.010 (5) |
N6 | 0.124 (5) | 0.093 (4) | 0.115 (5) | −0.005 (4) | 0.038 (4) | −0.018 (4) |
N7 | 0.083 (5) | 0.061 (4) | 0.068 (4) | 0.007 (3) | 0.002 (4) | 0.006 (3) |
Br1 | 0.0759 (6) | 0.1142 (8) | 0.1206 (8) | 0.0082 (5) | 0.0388 (6) | −0.0435 (6) |
Br2 | 0.0998 (7) | 0.0696 (5) | 0.0893 (6) | −0.0105 (5) | 0.0274 (5) | 0.0242 (4) |
Br3 | 0.1152 (8) | 0.0817 (6) | 0.1245 (8) | 0.0199 (6) | −0.0330 (7) | 0.0376 (6) |
C1 | 0.042 (4) | 0.048 (4) | 0.051 (4) | 0.002 (3) | 0.010 (3) | −0.001 (3) |
C2 | 0.047 (4) | 0.049 (4) | 0.052 (4) | 0.003 (3) | 0.013 (3) | −0.006 (3) |
C3 | 0.066 (5) | 0.063 (4) | 0.053 (4) | −0.003 (4) | 0.002 (4) | −0.004 (3) |
C4 | 0.061 (5) | 0.065 (5) | 0.065 (5) | 0.008 (4) | 0.018 (4) | −0.010 (4) |
C5 | 0.078 (6) | 0.054 (4) | 0.070 (5) | −0.001 (4) | 0.018 (4) | −0.020 (4) |
C6 | 0.065 (5) | 0.061 (5) | 0.077 (5) | −0.003 (4) | 0.014 (4) | −0.017 (4) |
C7 | 0.048 (4) | 0.043 (3) | 0.052 (4) | −0.009 (3) | 0.008 (3) | 0.001 (3) |
C8 | 0.047 (4) | 0.046 (4) | 0.057 (4) | −0.004 (3) | 0.004 (3) | −0.012 (3) |
C9 | 0.049 (4) | 0.046 (4) | 0.045 (4) | −0.004 (3) | 0.003 (3) | −0.009 (3) |
C10 | 0.071 (5) | 0.042 (4) | 0.061 (4) | 0.002 (3) | 0.019 (4) | −0.004 (3) |
C11 | 0.064 (5) | 0.044 (4) | 0.064 (4) | 0.001 (3) | 0.005 (4) | −0.009 (3) |
C12 | 0.064 (5) | 0.063 (4) | 0.033 (3) | −0.009 (3) | 0.002 (3) | −0.007 (3) |
C13 | 0.068 (5) | 0.066 (4) | 0.040 (3) | −0.010 (4) | 0.009 (3) | −0.012 (3) |
C14 | 0.073 (5) | 0.068 (5) | 0.037 (4) | 0.003 (4) | 0.012 (4) | −0.001 (3) |
C15 | 0.057 (5) | 0.050 (4) | 0.046 (4) | 0.008 (3) | −0.001 (3) | 0.004 (3) |
C16 | 0.060 (5) | 0.050 (4) | 0.050 (4) | 0.000 (3) | 0.010 (3) | 0.005 (3) |
C17 | 0.072 (5) | 0.064 (4) | 0.047 (4) | 0.004 (4) | 0.015 (4) | 0.004 (3) |
C18 | 0.063 (5) | 0.057 (4) | 0.060 (4) | −0.002 (4) | 0.007 (4) | 0.016 (4) |
C19 | 0.072 (5) | 0.043 (4) | 0.065 (5) | 0.002 (4) | 0.009 (4) | 0.007 (3) |
C20 | 0.072 (5) | 0.052 (4) | 0.050 (4) | 0.008 (4) | 0.008 (4) | 0.000 (3) |
C21 | 0.056 (4) | 0.052 (4) | 0.032 (3) | −0.005 (3) | 0.000 (3) | −0.004 (3) |
C22 | 0.050 (4) | 0.042 (3) | 0.049 (4) | −0.002 (3) | 0.009 (3) | −0.005 (3) |
C23 | 0.050 (4) | 0.043 (3) | 0.040 (3) | −0.004 (3) | 0.005 (3) | 0.004 (3) |
C24 | 0.057 (5) | 0.063 (4) | 0.045 (4) | −0.004 (4) | −0.005 (3) | 0.004 (3) |
C25 | 0.063 (5) | 0.058 (4) | 0.078 (5) | 0.004 (4) | 0.000 (4) | 0.018 (4) |
C26 | 0.079 (6) | 0.039 (4) | 0.090 (6) | 0.005 (4) | 0.001 (5) | 0.007 (4) |
C27 | 0.068 (5) | 0.045 (4) | 0.068 (5) | −0.002 (4) | 0.005 (4) | −0.006 (3) |
C28 | 0.116 (10) | 0.164 (11) | 0.078 (7) | −0.033 (9) | 0.036 (7) | −0.039 (8) |
C29 | 0.161 (13) | 0.227 (15) | 0.164 (12) | −0.055 (11) | −0.080 (10) | 0.009 (11) |
C30 | 0.131 (10) | 0.120 (9) | 0.125 (9) | −0.021 (8) | 0.003 (8) | −0.019 (7) |
C31 | 0.140 (6) | 0.117 (6) | 0.132 (6) | −0.012 (5) | 0.040 (5) | −0.015 (5) |
C32 | 0.143 (7) | 0.123 (6) | 0.115 (6) | 0.015 (6) | 0.022 (6) | −0.009 (5) |
C33 | 0.200 (9) | 0.201 (8) | 0.205 (8) | −0.080 (7) | 0.072 (7) | −0.001 (7) |
C34 | 0.073 (5) | 0.058 (5) | 0.070 (5) | 0.007 (4) | 0.008 (4) | 0.011 (4) |
C35 | 0.180 (11) | 0.069 (6) | 0.115 (8) | −0.020 (6) | −0.012 (8) | −0.022 (5) |
C36 | 0.104 (8) | 0.084 (6) | 0.120 (8) | 0.017 (5) | 0.020 (6) | 0.017 (5) |
Nd1—O1i | 2.341 (4) | C9—H9B | 0.9700 |
Nd1—O2 | 2.344 (4) | C10—C11 | 1.512 (9) |
Nd1—O3 | 2.448 (4) | C10—H10A | 0.9700 |
Nd1—O3i | 2.467 (4) | C10—H10B | 0.9700 |
Nd1—N1i | 2.616 (5) | C11—H11A | 0.9700 |
Nd1—N2i | 2.864 (4) | C11—H11B | 0.9700 |
Nd1—N3 | 2.896 (5) | C12—C13 | 1.537 (9) |
Nd1—N4 | 2.627 (5) | C12—H12A | 0.9700 |
O1—C1 | 1.333 (7) | C12—H12B | 0.9700 |
O1—Nd1i | 2.341 (4) | C13—H13A | 0.9700 |
O2—C15 | 1.328 (8) | C13—H13B | 0.9700 |
O3—C22 | 1.364 (7) | C14—C16 | 1.459 (9) |
O3—Nd1i | 2.467 (4) | C14—H14 | 0.9300 |
O4—C28 | 1.227 (12) | C15—C20 | 1.441 (9) |
O5—C31 | 1.272 (12) | C15—C16 | 1.442 (9) |
O6—C34 | 1.217 (8) | C16—C17 | 1.446 (9) |
N1—C7 | 1.301 (7) | C17—C18 | 1.388 (9) |
N1—C8 | 1.494 (7) | C17—H17 | 0.9300 |
N1—Nd1i | 2.616 (5) | C18—C19 | 1.414 (9) |
N2—C10 | 1.525 (7) | C19—C20 | 1.401 (9) |
N2—C9 | 1.527 (7) | C19—H19 | 0.9300 |
N2—C21 | 1.533 (7) | C20—H20 | 0.9300 |
N2—Nd1i | 2.864 (4) | C21—C23 | 1.529 (8) |
N3—C21 | 1.496 (8) | C21—H21 | 0.9800 |
N3—C12 | 1.512 (7) | C22—C27 | 1.415 (8) |
N3—C11 | 1.533 (7) | C22—C23 | 1.436 (8) |
N4—C14 | 1.304 (8) | C23—C24 | 1.415 (8) |
N4—C13 | 1.492 (7) | C24—C25 | 1.403 (9) |
N5—C28 | 1.353 (13) | C24—H24 | 0.9300 |
N5—C30 | 1.448 (12) | C25—C26 | 1.391 (9) |
N5—C29 | 1.483 (12) | C26—C27 | 1.408 (9) |
N6—C31 | 1.317 (12) | C26—H26 | 0.9300 |
N6—C32 | 1.456 (11) | C27—H27 | 0.9300 |
N6—C33 | 1.461 (13) | C28—H28 | 0.9300 |
N7—C34 | 1.343 (9) | C29—H29A | 0.9600 |
N7—C36 | 1.457 (9) | C29—H29B | 0.9600 |
N7—C35 | 1.476 (9) | C29—H29C | 0.9600 |
Br1—C4 | 1.928 (7) | C30—H30A | 0.9600 |
Br2—C18 | 1.936 (7) | C30—H30B | 0.9600 |
Br3—C25 | 1.933 (7) | C30—H30C | 0.9600 |
C1—C6 | 1.435 (8) | C31—H31 | 0.9300 |
C1—C2 | 1.453 (9) | C32—H32A | 0.9600 |
C2—C3 | 1.414 (9) | C32—H32B | 0.9600 |
C2—C7 | 1.471 (8) | C32—H32C | 0.9600 |
C3—C4 | 1.409 (9) | C33—H33A | 0.9600 |
C3—H3 | 0.9300 | C33—H33B | 0.9600 |
C4—C5 | 1.418 (9) | C33—H33C | 0.9600 |
C5—C6 | 1.394 (10) | C34—H34 | 0.9300 |
C5—H5 | 0.9300 | C35—H35A | 0.9600 |
C6—H6 | 0.9300 | C35—H35B | 0.9600 |
C7—H7 | 0.9300 | C35—H35C | 0.9600 |
C8—C9 | 1.531 (8) | C36—H36A | 0.9600 |
C8—H8A | 0.9700 | C36—H36B | 0.9600 |
C8—H8B | 0.9700 | C36—H36C | 0.9600 |
C9—H9A | 0.9700 | ||
O1i—Nd1—O2 | 132.23 (16) | C10—C11—H11A | 110.3 |
O1i—Nd1—O3 | 141.78 (14) | N3—C11—H11A | 110.3 |
O2—Nd1—O3 | 83.19 (14) | C10—C11—H11B | 110.3 |
O1i—Nd1—O3i | 82.36 (14) | N3—C11—H11B | 110.3 |
O2—Nd1—O3i | 143.18 (14) | H11A—C11—H11B | 108.5 |
O3—Nd1—O3i | 68.98 (14) | N3—C12—C13 | 113.0 (5) |
O1i—Nd1—N1i | 70.04 (15) | N3—C12—H12A | 109.0 |
O2—Nd1—N1i | 76.54 (15) | C13—C12—H12A | 109.0 |
O3—Nd1—N1i | 143.92 (14) | N3—C12—H12B | 109.0 |
O3i—Nd1—N1i | 112.44 (14) | C13—C12—H12B | 109.0 |
O1i—Nd1—N4 | 75.43 (15) | H12A—C12—H12B | 107.8 |
O2—Nd1—N4 | 70.15 (15) | N4—C13—C12 | 108.2 (5) |
O3—Nd1—N4 | 112.86 (14) | N4—C13—H13A | 110.0 |
O3i—Nd1—N4 | 142.50 (14) | C12—C13—H13A | 110.0 |
N1i—Nd1—N4 | 87.97 (16) | N4—C13—H13B | 110.0 |
O1i—Nd1—N2i | 111.02 (14) | C12—C13—H13B | 110.0 |
O2—Nd1—N2i | 83.34 (14) | H13A—C13—H13B | 108.4 |
O3—Nd1—N2i | 83.07 (13) | N4—C14—C16 | 125.9 (6) |
O3i—Nd1—N2i | 70.15 (13) | N4—C14—H14 | 117.1 |
N1i—Nd1—N2i | 65.33 (14) | C16—C14—H14 | 117.1 |
N4—Nd1—N2i | 146.32 (15) | O2—C15—C20 | 120.1 (6) |
O1i—Nd1—N3 | 82.21 (14) | O2—C15—C16 | 123.5 (6) |
O2—Nd1—N3 | 110.68 (14) | C20—C15—C16 | 116.4 (6) |
O3—Nd1—N3 | 69.76 (13) | C15—C16—C17 | 120.0 (6) |
O3i—Nd1—N3 | 82.46 (13) | C15—C16—C14 | 123.1 (6) |
N1i—Nd1—N3 | 145.60 (14) | C17—C16—C14 | 116.8 (6) |
N4—Nd1—N3 | 65.05 (15) | C18—C17—C16 | 121.0 (6) |
N2i—Nd1—N3 | 146.97 (14) | C18—C17—H17 | 119.5 |
O1i—Nd1—Nd1i | 113.20 (11) | C16—C17—H17 | 119.5 |
O2—Nd1—Nd1i | 114.57 (11) | C17—C18—C19 | 119.9 (6) |
O3—Nd1—Nd1i | 34.64 (9) | C17—C18—Br2 | 118.9 (5) |
O3i—Nd1—Nd1i | 34.34 (9) | C19—C18—Br2 | 121.2 (5) |
N1i—Nd1—Nd1i | 136.13 (11) | C20—C19—C18 | 120.0 (6) |
N4—Nd1—Nd1i | 135.87 (12) | C20—C19—H19 | 120.0 |
N2i—Nd1—Nd1i | 73.76 (10) | C18—C19—H19 | 120.0 |
N3—Nd1—Nd1i | 73.20 (10) | C19—C20—C15 | 122.5 (6) |
C1—O1—Nd1i | 136.9 (4) | C19—C20—H20 | 118.7 |
C15—O2—Nd1 | 135.7 (4) | C15—C20—H20 | 118.7 |
C22—O3—Nd1 | 120.3 (4) | N3—C21—C23 | 114.6 (5) |
C22—O3—Nd1i | 120.0 (4) | N3—C21—N2 | 105.6 (4) |
Nd1—O3—Nd1i | 111.02 (14) | C23—C21—N2 | 111.8 (5) |
C7—N1—C8 | 117.1 (5) | N3—C21—H21 | 108.2 |
C7—N1—Nd1i | 130.1 (4) | C23—C21—H21 | 108.2 |
C8—N1—Nd1i | 112.8 (4) | N2—C21—H21 | 108.2 |
C10—N2—C9 | 111.6 (4) | O3—C22—C27 | 120.3 (5) |
C10—N2—C21 | 102.1 (4) | O3—C22—C23 | 121.0 (5) |
C9—N2—C21 | 108.6 (4) | C27—C22—C23 | 118.7 (6) |
C10—N2—Nd1i | 107.0 (3) | C24—C23—C22 | 118.9 (6) |
C9—N2—Nd1i | 108.6 (3) | C24—C23—C21 | 119.8 (5) |
C21—N2—Nd1i | 118.9 (3) | C22—C23—C21 | 121.3 (5) |
C21—N3—C12 | 108.8 (5) | C25—C24—C23 | 120.9 (6) |
C21—N3—C11 | 102.9 (5) | C25—C24—H24 | 119.6 |
C12—N3—C11 | 112.4 (5) | C23—C24—H24 | 119.6 |
C21—N3—Nd1 | 118.6 (3) | C26—C25—C24 | 120.6 (6) |
C12—N3—Nd1 | 108.3 (4) | C26—C25—Br3 | 120.2 (5) |
C11—N3—Nd1 | 105.8 (3) | C24—C25—Br3 | 119.2 (5) |
C14—N4—C13 | 117.8 (5) | C25—C26—C27 | 119.6 (6) |
C14—N4—Nd1 | 129.4 (4) | C25—C26—H26 | 120.2 |
C13—N4—Nd1 | 112.8 (4) | C27—C26—H26 | 120.2 |
C28—N5—C30 | 119.7 (9) | C26—C27—C22 | 121.2 (6) |
C28—N5—C29 | 120.8 (11) | C26—C27—H27 | 119.4 |
C30—N5—C29 | 119.4 (10) | C22—C27—H27 | 119.4 |
C31—N6—C32 | 119.4 (10) | O4—C28—N5 | 126.5 (11) |
C31—N6—C33 | 116.9 (10) | O4—C28—H28 | 116.7 |
C32—N6—C33 | 122.9 (10) | N5—C28—H28 | 116.7 |
C34—N7—C36 | 121.1 (7) | N5—C29—H29A | 109.5 |
C34—N7—C35 | 121.2 (7) | N5—C29—H29B | 109.5 |
C36—N7—C35 | 117.6 (7) | H29A—C29—H29B | 109.5 |
O1—C1—C6 | 120.1 (6) | N5—C29—H29C | 109.5 |
O1—C1—C2 | 122.9 (5) | H29A—C29—H29C | 109.5 |
C6—C1—C2 | 117.0 (6) | H29B—C29—H29C | 109.5 |
C3—C2—C1 | 119.5 (6) | N5—C30—H30A | 109.5 |
C3—C2—C7 | 118.1 (6) | N5—C30—H30B | 109.5 |
C1—C2—C7 | 122.2 (6) | H30A—C30—H30B | 109.5 |
C4—C3—C2 | 122.2 (7) | N5—C30—H30C | 109.5 |
C4—C3—H3 | 118.9 | H30A—C30—H30C | 109.5 |
C2—C3—H3 | 118.9 | H30B—C30—H30C | 109.5 |
C3—C4—C5 | 118.4 (7) | O5—C31—N6 | 125.3 (12) |
C3—C4—Br1 | 121.0 (6) | O5—C31—H31 | 117.3 |
C5—C4—Br1 | 120.6 (5) | N6—C31—H31 | 117.3 |
C6—C5—C4 | 120.8 (6) | N6—C32—H32A | 109.5 |
C6—C5—H5 | 119.6 | N6—C32—H32B | 109.5 |
C4—C5—H5 | 119.6 | H32A—C32—H32B | 109.5 |
C5—C6—C1 | 122.0 (7) | N6—C32—H32C | 109.5 |
C5—C6—H6 | 119.0 | H32A—C32—H32C | 109.5 |
C1—C6—H6 | 119.0 | H32B—C32—H32C | 109.5 |
N1—C7—C2 | 126.6 (6) | N6—C33—H33A | 109.5 |
N1—C7—H7 | 116.7 | N6—C33—H33B | 109.5 |
C2—C7—H7 | 116.7 | H33A—C33—H33B | 109.5 |
N1—C8—C9 | 107.7 (5) | N6—C33—H33C | 109.5 |
N1—C8—H8A | 110.2 | H33A—C33—H33C | 109.5 |
C9—C8—H8A | 110.2 | H33B—C33—H33C | 109.5 |
N1—C8—H8B | 110.2 | O6—C34—N7 | 125.4 (7) |
C9—C8—H8B | 110.2 | O6—C34—H34 | 117.3 |
H8A—C8—H8B | 108.5 | N7—C34—H34 | 117.3 |
N2—C9—C8 | 112.8 (5) | N7—C35—H35A | 109.5 |
N2—C9—H9A | 109.0 | N7—C35—H35B | 109.5 |
C8—C9—H9A | 109.0 | H35A—C35—H35B | 109.5 |
N2—C9—H9B | 109.0 | N7—C35—H35C | 109.5 |
C8—C9—H9B | 109.0 | H35A—C35—H35C | 109.5 |
H9A—C9—H9B | 107.8 | H35B—C35—H35C | 109.5 |
C11—C10—N2 | 107.0 (5) | N7—C36—H36A | 109.5 |
C11—C10—H10A | 110.3 | N7—C36—H36B | 109.5 |
N2—C10—H10A | 110.3 | H36A—C36—H36B | 109.5 |
C11—C10—H10B | 110.3 | N7—C36—H36C | 109.5 |
N2—C10—H10B | 110.3 | H36A—C36—H36C | 109.5 |
H10A—C10—H10B | 108.6 | H36B—C36—H36C | 109.5 |
C10—C11—N3 | 107.3 (5) | ||
O1i—Nd1—O2—C15 | 7.2 (6) | C3—C2—C7—N1 | −170.8 (6) |
O3—Nd1—O2—C15 | −156.6 (5) | C1—C2—C7—N1 | 14.0 (10) |
O3i—Nd1—O2—C15 | 163.1 (5) | C7—N1—C8—C9 | 117.0 (6) |
N1i—Nd1—O2—C15 | 53.5 (5) | Nd1i—N1—C8—C9 | −60.6 (5) |
N4—Nd1—O2—C15 | −39.2 (5) | C10—N2—C9—C8 | 85.1 (6) |
N2i—Nd1—O2—C15 | 119.7 (5) | C21—N2—C9—C8 | −163.2 (4) |
N3—Nd1—O2—C15 | −91.2 (5) | Nd1i—N2—C9—C8 | −32.6 (5) |
Nd1i—Nd1—O2—C15 | −171.6 (5) | N1—C8—C9—N2 | 62.4 (6) |
O1i—Nd1—O3—C22 | −103.7 (4) | C9—N2—C10—C11 | 139.9 (5) |
O2—Nd1—O3—C22 | 56.8 (4) | C21—N2—C10—C11 | 24.1 (6) |
O3i—Nd1—O3—C22 | −147.8 (5) | Nd1i—N2—C10—C11 | −101.5 (5) |
N1i—Nd1—O3—C22 | 112.6 (4) | N2—C10—C11—N3 | −2.2 (6) |
N4—Nd1—O3—C22 | −8.3 (4) | C21—N3—C11—C10 | −21.2 (6) |
N2i—Nd1—O3—C22 | 140.9 (4) | C12—N3—C11—C10 | −138.1 (5) |
N3—Nd1—O3—C22 | −58.2 (4) | Nd1—N3—C11—C10 | 103.9 (5) |
Nd1i—Nd1—O3—C22 | −147.8 (5) | C21—N3—C12—C13 | 163.0 (5) |
O1i—Nd1—O3—Nd1i | 44.1 (3) | C11—N3—C12—C13 | −83.7 (6) |
O2—Nd1—O3—Nd1i | −155.44 (16) | Nd1—N3—C12—C13 | 32.8 (6) |
O3i—Nd1—O3—Nd1i | 0.0 | C14—N4—C13—C12 | −118.4 (6) |
N1i—Nd1—O3—Nd1i | −99.6 (2) | Nd1—N4—C13—C12 | 60.2 (6) |
N4—Nd1—O3—Nd1i | 139.49 (15) | N3—C12—C13—N4 | −62.7 (7) |
N2i—Nd1—O3—Nd1i | −71.36 (15) | C13—N4—C14—C16 | 173.0 (6) |
N3—Nd1—O3—Nd1i | 89.54 (16) | Nd1—N4—C14—C16 | −5.3 (10) |
O1i—Nd1—N3—C21 | 156.1 (4) | Nd1—O2—C15—C20 | −145.5 (5) |
O2—Nd1—N3—C21 | −71.6 (4) | Nd1—O2—C15—C16 | 35.8 (9) |
O3—Nd1—N3—C21 | 2.5 (4) | O2—C15—C16—C17 | −179.6 (6) |
O3i—Nd1—N3—C21 | 72.8 (4) | C20—C15—C16—C17 | 1.7 (9) |
N1i—Nd1—N3—C21 | −168.0 (3) | O2—C15—C16—C14 | 3.9 (10) |
N4—Nd1—N3—C21 | −126.4 (4) | C20—C15—C16—C14 | −174.8 (6) |
N2i—Nd1—N3—C21 | 39.1 (5) | N4—C14—C16—C15 | −16.1 (11) |
Nd1i—Nd1—N3—C21 | 38.9 (3) | N4—C14—C16—C17 | 167.3 (7) |
O1i—Nd1—N3—C12 | −79.4 (4) | C15—C16—C17—C18 | 1.5 (10) |
O2—Nd1—N3—C12 | 52.9 (4) | C14—C16—C17—C18 | 178.2 (6) |
O3—Nd1—N3—C12 | 127.0 (4) | C16—C17—C18—C19 | −3.6 (10) |
O3i—Nd1—N3—C12 | −162.7 (4) | C16—C17—C18—Br2 | 176.0 (5) |
N1i—Nd1—N3—C12 | −43.5 (5) | C17—C18—C19—C20 | 2.4 (10) |
N4—Nd1—N3—C12 | −1.9 (4) | Br2—C18—C19—C20 | −177.2 (5) |
N2i—Nd1—N3—C12 | 163.6 (3) | C18—C19—C20—C15 | 1.0 (10) |
Nd1i—Nd1—N3—C12 | 163.4 (4) | O2—C15—C20—C19 | 178.3 (6) |
O1i—Nd1—N3—C11 | 41.3 (4) | C16—C15—C20—C19 | −2.9 (10) |
O2—Nd1—N3—C11 | 173.6 (4) | C12—N3—C21—C23 | −80.3 (6) |
O3—Nd1—N3—C11 | −112.3 (4) | C11—N3—C21—C23 | 160.4 (5) |
O3i—Nd1—N3—C11 | −42.0 (4) | Nd1—N3—C21—C23 | 44.0 (5) |
N1i—Nd1—N3—C11 | 77.3 (4) | C12—N3—C21—N2 | 156.3 (4) |
N4—Nd1—N3—C11 | 118.8 (4) | C11—N3—C21—N2 | 36.9 (5) |
N2i—Nd1—N3—C11 | −75.7 (4) | Nd1—N3—C21—N2 | −79.4 (4) |
Nd1i—Nd1—N3—C11 | −75.9 (3) | C10—N2—C21—N3 | −38.3 (5) |
O1i—Nd1—N4—C14 | −123.5 (6) | C9—N2—C21—N3 | −156.2 (4) |
O2—Nd1—N4—C14 | 22.8 (6) | Nd1i—N2—C21—N3 | 79.1 (4) |
O3—Nd1—N4—C14 | 96.0 (6) | C10—N2—C21—C23 | −163.5 (5) |
O3i—Nd1—N4—C14 | −179.2 (5) | C9—N2—C21—C23 | 78.5 (5) |
N1i—Nd1—N4—C14 | −53.6 (6) | Nd1i—N2—C21—C23 | −46.2 (6) |
N2i—Nd1—N4—C14 | −17.4 (7) | Nd1—O3—C22—C27 | −105.6 (6) |
N3—Nd1—N4—C14 | 148.4 (6) | Nd1i—O3—C22—C27 | 109.5 (6) |
Nd1i—Nd1—N4—C14 | 128.0 (5) | Nd1—O3—C22—C23 | 73.8 (7) |
O1i—Nd1—N4—C13 | 58.1 (4) | Nd1i—O3—C22—C23 | −71.1 (6) |
O2—Nd1—N4—C13 | −155.6 (5) | O3—C22—C23—C24 | 178.3 (6) |
O3—Nd1—N4—C13 | −82.4 (4) | C27—C22—C23—C24 | −2.3 (9) |
O3i—Nd1—N4—C13 | 2.5 (5) | O3—C22—C23—C21 | −2.6 (9) |
N1i—Nd1—N4—C13 | 128.0 (4) | C27—C22—C23—C21 | 176.8 (6) |
N2i—Nd1—N4—C13 | 164.3 (4) | N3—C21—C23—C24 | 121.4 (6) |
N3—Nd1—N4—C13 | −30.0 (4) | N2—C21—C23—C24 | −118.5 (6) |
Nd1i—Nd1—N4—C13 | −50.3 (5) | N3—C21—C23—C22 | −57.7 (7) |
Nd1i—O1—C1—C6 | 144.0 (5) | N2—C21—C23—C22 | 62.5 (7) |
Nd1i—O1—C1—C2 | −37.2 (9) | C22—C23—C24—C25 | 0.9 (10) |
O1—C1—C2—C3 | −176.0 (6) | C21—C23—C24—C25 | −178.2 (6) |
C6—C1—C2—C3 | 2.9 (9) | C23—C24—C25—C26 | 2.1 (11) |
O1—C1—C2—C7 | −0.9 (9) | C23—C24—C25—Br3 | −179.1 (5) |
C6—C1—C2—C7 | 178.0 (6) | C24—C25—C26—C27 | −3.6 (12) |
C1—C2—C3—C4 | −3.6 (10) | Br3—C25—C26—C27 | 177.6 (6) |
C7—C2—C3—C4 | −178.9 (6) | C25—C26—C27—C22 | 2.2 (12) |
C2—C3—C4—C5 | 1.8 (10) | O3—C22—C27—C26 | −179.8 (6) |
C2—C3—C4—Br1 | −177.1 (5) | C23—C22—C27—C26 | 0.7 (10) |
C3—C4—C5—C6 | 0.5 (11) | C30—N5—C28—O4 | 0.9 (17) |
Br1—C4—C5—C6 | 179.5 (6) | C29—N5—C28—O4 | 178.1 (12) |
C4—C5—C6—C1 | −1.1 (11) | C32—N6—C31—O5 | −173.4 (12) |
O1—C1—C6—C5 | 178.3 (6) | C33—N6—C31—O5 | 17.0 (19) |
C2—C1—C6—C5 | −0.6 (10) | C36—N7—C34—O6 | 2.7 (12) |
C8—N1—C7—C2 | −172.8 (6) | C35—N7—C34—O6 | −176.7 (8) |
Nd1i—N1—C7—C2 | 4.4 (9) |
Symmetry code: (i) −x+2, −y+1, −z+2. |
Experimental details
Crystal data | |
Chemical formula | [Nd2(C27H24Br3N4O3)2]·6C3H7NO |
Mr | 2111.46 |
Crystal system, space group | Monoclinic, P21/c |
Temperature (K) | 296 |
a, b, c (Å) | 14.624 (6), 22.460 (4), 13.663 (4) |
β (°) | 101.133 (6) |
V (Å3) | 4403 (2) |
Z | 2 |
Radiation type | Mo Kα |
µ (mm−1) | 3.95 |
Crystal size (mm) | 0.25 × 0.23 × 0.22 |
Data collection | |
Diffractometer | Bruke APEXII CCD diffractometer |
Absorption correction | Multi-scan (SADABS; Sheldrick, 1996) |
Tmin, Tmax | 0.438, 0.477 |
No. of measured, independent and observed [I > 2σ(I)] reflections | 25933, 8078, 5119 |
Rint | 0.057 |
(sin θ/λ)max (Å−1) | 0.606 |
Refinement | |
R[F2 > 2σ(F2)], wR(F2), S | 0.046, 0.120, 1.02 |
No. of reflections | 8078 |
No. of parameters | 484 |
No. of restraints | 62 |
H-atom treatment | H-atom parameters constrained |
Δρmax, Δρmin (e Å−3) | 0.84, −0.78 |
Computer programs: APEX2 (Bruker, 2007), SAINT (Bruker, 2007), SHELXS97 (Sheldrick, 2008), SHELXL97 (Sheldrick, 2008), SHELXTL (Sheldrick, 2008).
Nd1—O1i | 2.341 (4) | Nd1—N1i | 2.616 (5) |
Nd1—O2 | 2.344 (4) | Nd1—N2i | 2.864 (4) |
Nd1—O3 | 2.448 (4) | Nd1—N3 | 2.896 (5) |
Nd1—O3i | 2.467 (4) | Nd1—N4 | 2.627 (5) |
Symmetry code: (i) −x+2, −y+1, −z+2. |
Acknowledgements
This work was supported by the Education Department Foundation of Fujian Province of China (grant Nos. JA08212 and 2008 F5053).
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As the rare-earth ions have unique electronic structures and bonding characteristics, the formation of complexes has managed to maintain its unique electromagnetic nature of light. Tripodal ligand has a semi-rigid structure. It can provide a number of service sites to form thermodynamically stable complexes, and its three side chains are free to flip to form a suitable cavity size to include different guest molecules or ions. Furthermore, the researches of tripodal ligands and their complexes are very active at present (Bian et al., 2008; Palaniandavar et al., 2006; Velusamy et al., 2004).
The molecular diagram of the title compound is presented in Fig. 1. The structure is composed of a dimeric [Nd2(brapi)2] molecule [brapi = 2-(2'-hydroxy-5'-bromophenyl)-1,3-bis[3'-aza-4'-(2''-hydroxy- 5''-bromophenyl)-prop-4'-en-1'-yl]-1,3-imidazolidine], with eight-coordinated NdIII ions linked by two bridging O atoms from the phenolic hydroxyl groups, and six N,N-dimethylformamide (DMF) molecules. The coordination geometry around the NdIII ion may be described as distorted square antiprismatic, with one square plane being defined by O2, O3, N3, N4 [the torsion angle is 3.07 (17)°] and the other defined by O1, O3, N2, N1 [the torsion angle is 2.03 (16)°]. The coordination to the metal of the O atoms and N atoms results in the bond lengths of C—O [1.328 (8)–1.364 (7) Å] and C—N [1.301 (7)–1.527 (7) Å] are longer than those in the ligand (Fondo et al., 2005) and in complexes [Ce2(brapi)2].2DMF (Xie et al., 2009) and [La2(brapi)2].2CHCl3 (Yang et al., 1995). The bond lengths of Nd—O (Table 1) are similar to those in the complexes [Ce2(brapi)2].2DMF and [La2(brapi)2].2CHCl3. It can be seen that there is an intermolecular C—H···O hydrogen bond between the DMF molecule and the ligand. The solvent DMF molecules play a role in stablizing the crystal structure.