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The Schiff base N-(tert-butyl)-3-methoxy­salicyl­ald­imine (LH) forms a complex with gadolinium(III) chloride, [GdCl2(LH)2(C5H5N)2]+, in which the two O atoms of each ligand are coordinated (the phenolic O atom being deprotonated) and the imine N atom is protonated and involved in a hydrogen bond with the phenoxide group. This complex crystallizes as an ion pair with uranyl tetrachloride, i.e. bis{bis­[2-(tert-butyl­iminio­methyl)-6-methoxy­phenolato-O,O']­dichlorobis­(pyridine-N)­gadolinium(III)} tetra­chlorodi­oxo­uran­ium(VI) tetra­pyri­dine solvate [GdCl2(C12H17NO2)2(C5H5N)2]2[UCl4O2]·4C5H5N. The U atom of the UCl4O2 anion lies on an inversion centre.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S0108270101001445/av1069sup1.cif
Contains datablocks I, global

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S0108270101001445/av1069Isup2.hkl
Contains datablock I

CCDC reference: 163898

Computing details top

Data collection: KappaCCD Software (Nonius, 1997); cell refinement: DENZO-SMN (Otwinowski & Minor, 1997); data reduction: DENZO-SMN; program(s) used to solve structure: SHELXS97 (Sheldrick, 1990); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: SHELXTL (Sheldrick, 1999); software used to prepare material for publication: SHELXTL (Sheldrick, 1999) and PARST97 (Nardelli, 1995).

(I) top
Crystal data top
[Gd(C11H14NO2)2Cl2(C5H5N)2]2[UCl4O2]·4C5H5NZ = 1
Mr = 2329.99F(000) = 1156
Triclinic, P1Dx = 1.591 Mg m3
a = 11.1331 (5) ÅMo Kα radiation, λ = 0.71073 Å
b = 11.8704 (6) ÅCell parameters from 16824 reflections
c = 18.8044 (7) Åθ = 2.9–25.7°
α = 92.239 (3)°µ = 3.29 mm1
β = 101.526 (3)°T = 100 K
γ = 91.353 (3)°Platelet, translucent dark orange
V = 2431.86 (19) Å30.18 × 0.15 × 0.10 mm
Data collection top
Nonius KappaCCD
diffractometer
8501 independent reflections
Radiation source: fine-focus sealed tube6568 reflections with I > 2σa(I)
Graphite monochromatorRint = 0.043
Detector resolution: 18 pixels mm-1θmax = 25.7°, θmin = 2.9°
φ scansh = 1313
Absorption correction: empirical (using intensity measurements)
(PLATON; Spek, 2000)
k = 1414
Tmin = 0.545, Tmax = 0.720l = 2222
16824 measured reflections
Refinement top
Refinement on F2Primary atom site location: structure-invariant direct methods
Least-squares matrix: fullSecondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.038Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.099H atoms treated by a mixture of independent and constrained refinement
S = 1.02 w = 1/[σ2(Fo2) + (0.047P)2]
where P = (Fo2 + 2Fc2)/3
8501 reflections(Δ/σ)max = 0.001
547 parametersΔρmax = 0.99 e Å3
26 restraintsΔρmin = 0.80 e Å3
Special details top

Experimental. A 180° range in φ was scanned during data collection, with 2° φ steps. The crystal-to-detector distance was fixed at 28 mm.

Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes.

Refinement. Structure solved by direct methods and expanded by subsequent Fourier-difference synthesis. All non-hydrogen atoms have been refined anisotropically. Some soft restraints have been applied on some terminal atoms of the tert-butyl groups. The protons on the nitrogen atoms have been found on the Fourier-difference map and introduced as riding atoms with a displacement parameter equal to 1.2 times that of the parent atom. The other hydrogen atoms were introduced (except in the disordered pyridine molecules) at calculated positions as riding atoms with a displacement parameter equal to 1.2 (CH) or 1.5 (CH3) times that of the parent atom. Refinement of F2 against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F2, conventional R-factors R are based on F, with F set to zero for negative F2. The threshold expression of F2 > σ(F2) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F2 are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
U0.00000.00000.00000.02852 (9)
Gd0.64463 (2)0.42406 (2)0.294286 (13)0.02477 (9)
Cl10.44680 (13)0.52772 (13)0.32478 (8)0.0383 (3)
Cl20.86340 (13)0.31930 (13)0.34473 (7)0.0383 (3)
Cl30.19766 (14)0.12364 (13)0.06825 (8)0.0420 (4)
Cl40.10272 (15)0.03262 (14)0.11438 (8)0.0450 (4)
O10.5214 (3)0.5089 (3)0.1709 (2)0.0337 (9)
O20.7400 (3)0.5594 (3)0.23641 (18)0.0285 (8)
O30.7095 (3)0.3256 (3)0.18393 (19)0.0301 (8)
O40.5239 (3)0.2815 (3)0.24422 (18)0.0274 (8)
O50.0700 (4)0.1233 (3)0.0378 (2)0.0385 (10)
N10.9479 (4)0.6551 (4)0.2344 (2)0.0334 (11)
H10.88420.61630.25310.040*
N20.3172 (4)0.1837 (4)0.2407 (2)0.0362 (11)
H20.37440.22900.25970.043*
N30.7424 (4)0.5574 (4)0.3964 (2)0.0321 (11)
N40.6031 (4)0.3080 (4)0.4071 (2)0.0327 (10)
C10.3902 (5)0.5035 (5)0.1428 (3)0.0351 (13)
H1B0.36960.54220.09600.053*
H1C0.36800.42610.13840.053*
H1D0.34640.53860.17560.053*
C20.5859 (5)0.5718 (4)0.1296 (3)0.0278 (11)
C30.7063 (5)0.5961 (4)0.1686 (3)0.0276 (11)
C40.7826 (5)0.6583 (4)0.1313 (3)0.0286 (12)
C50.7395 (5)0.6969 (5)0.0578 (3)0.0331 (13)
H5A0.78960.73860.03340.040*
C60.6232 (6)0.6720 (5)0.0232 (3)0.0364 (14)
H6A0.59500.69670.02490.044*
C70.5469 (5)0.6103 (5)0.0592 (3)0.0368 (14)
H7A0.46810.59500.03490.044*
C80.9032 (5)0.6855 (5)0.1678 (3)0.0292 (12)
H8A0.95150.72710.14210.035*
C91.0698 (6)0.6831 (6)0.2766 (3)0.0541 (19)
C101.0554 (9)0.8063 (8)0.3014 (6)0.112 (4)
H10A1.13240.82930.32880.168*
H10B1.03020.85640.25940.168*
H10C0.99460.80880.33110.168*
C111.0940 (7)0.6139 (8)0.3450 (4)0.080 (3)
H11A1.10570.53630.33470.120*
H11B1.16650.63900.37620.120*
H11C1.02550.62120.36860.120*
C121.1626 (6)0.6882 (8)0.2317 (4)0.070 (2)
H12A1.17750.61420.21590.105*
H12B1.13400.73840.19020.105*
H12C1.23720.71540.25960.105*
C130.8221 (5)0.3392 (5)0.1576 (3)0.0373 (14)
H13A0.81730.30040.11330.056*
H13B0.83390.41800.14870.056*
H13C0.88990.30830.19340.056*
C140.6321 (5)0.2453 (4)0.1506 (3)0.0267 (11)
C150.5324 (5)0.2277 (4)0.1846 (3)0.0264 (11)
C160.4432 (5)0.1499 (5)0.1542 (3)0.0288 (12)
C170.4593 (5)0.0916 (5)0.0930 (3)0.0352 (13)
H17A0.40050.04160.07240.042*
C180.5601 (6)0.1077 (5)0.0635 (3)0.0402 (15)
H18A0.57150.06570.02450.048*
C190.6472 (5)0.1868 (5)0.0913 (3)0.0312 (12)
H19A0.71420.19930.06980.037*
C200.3371 (5)0.1317 (5)0.1849 (3)0.0346 (13)
H20A0.28030.08050.16370.042*
C210.2101 (6)0.1777 (7)0.2764 (3)0.055 (2)
C220.1607 (8)0.3053 (8)0.2768 (6)0.089 (3)
H22A0.13160.33390.22780.133*
H22B0.09480.30790.30280.133*
H22C0.22610.35070.30020.133*
C230.1092 (7)0.1167 (10)0.2331 (5)0.095 (3)
H23A0.13440.03920.23090.143*
H23B0.03890.12050.25540.143*
H23C0.08850.15050.18490.143*
C240.2558 (8)0.1392 (9)0.3538 (4)0.083 (3)
H24A0.28500.06210.35600.125*
H24B0.32160.18560.37530.125*
H24C0.19030.14500.37990.125*
C250.7193 (6)0.6686 (5)0.3842 (3)0.0423 (15)
H25A0.66430.69360.34230.051*
C260.7742 (6)0.7481 (6)0.4315 (3)0.0481 (17)
H26A0.75800.82490.42100.058*
C270.8545 (7)0.7099 (7)0.4954 (4)0.0547 (19)
H27A0.89310.76060.52830.066*
C280.8744 (6)0.5983 (6)0.5081 (3)0.0468 (17)
H28A0.92580.57090.55080.056*
C290.8185 (5)0.5232 (6)0.4576 (3)0.0387 (14)
H29A0.83500.44630.46710.046*
C300.5772 (5)0.3516 (5)0.4674 (3)0.0381 (14)
H30A0.57450.42970.47000.046*
C310.5541 (6)0.2874 (6)0.5259 (3)0.0487 (17)
H31A0.53490.32210.56580.058*
C320.5599 (6)0.1726 (6)0.5244 (3)0.0430 (15)
H32A0.54720.12750.56360.052*
C330.5860 (6)0.1243 (5)0.4614 (3)0.0402 (14)
H33A0.58790.04650.45730.048*
C340.6085 (5)0.1958 (5)0.4060 (3)0.0381 (14)
H34A0.62870.16360.36540.046*
N50.5552 (6)0.0687 (5)0.3194 (3)0.0566 (16)
C350.6524 (7)0.0423 (6)0.2910 (4)0.0524 (18)
H35A0.71140.00260.31720.063*
C360.6696 (7)0.0781 (6)0.2250 (4)0.0540 (18)
H36A0.73940.05950.20760.065*
C370.5795 (8)0.1435 (6)0.1844 (4)0.057 (2)
H37A0.58800.16870.13940.068*
C380.4789 (7)0.1693 (6)0.2124 (4)0.0526 (18)
H38A0.41690.21170.18670.063*
C390.4717 (7)0.1313 (6)0.2792 (4)0.0577 (19)
H39A0.40340.15050.29800.069*
C401.0575 (8)0.5946 (7)0.0229 (5)0.071 (2)
C411.0907 (7)0.4973 (7)0.0666 (5)0.064 (2)
C421.0300 (9)0.4021 (7)0.0413 (5)0.075 (3)
C430.9182 (9)0.0681 (8)0.4554 (7)0.084 (3)
C440.9980 (10)0.0077 (10)0.4252 (5)0.089 (3)
C451.0811 (9)0.0601 (10)0.4719 (7)0.093 (3)
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
U0.02998 (16)0.02591 (17)0.03069 (16)0.00621 (12)0.00760 (13)0.00287 (11)
Gd0.02113 (14)0.02938 (16)0.02371 (15)0.00394 (11)0.00331 (11)0.00454 (10)
Cl10.0301 (7)0.0462 (9)0.0379 (8)0.0064 (6)0.0038 (6)0.0135 (6)
Cl20.0290 (7)0.0503 (9)0.0341 (7)0.0053 (6)0.0037 (6)0.0005 (6)
Cl30.0393 (8)0.0371 (8)0.0458 (8)0.0004 (6)0.0002 (7)0.0006 (6)
Cl40.0515 (9)0.0432 (9)0.0460 (9)0.0058 (7)0.0236 (7)0.0008 (7)
O10.0193 (18)0.044 (2)0.037 (2)0.0043 (17)0.0025 (17)0.0010 (17)
O20.0254 (19)0.031 (2)0.0277 (19)0.0039 (16)0.0021 (16)0.0005 (15)
O30.0218 (18)0.039 (2)0.033 (2)0.0059 (16)0.0120 (16)0.0097 (16)
O40.0276 (19)0.029 (2)0.0282 (19)0.0070 (16)0.0085 (16)0.0097 (15)
O50.039 (2)0.035 (2)0.042 (2)0.0061 (18)0.0078 (19)0.0086 (18)
N10.026 (2)0.040 (3)0.033 (3)0.012 (2)0.001 (2)0.002 (2)
N20.028 (2)0.055 (3)0.028 (2)0.014 (2)0.009 (2)0.008 (2)
N30.033 (3)0.036 (3)0.028 (2)0.010 (2)0.005 (2)0.005 (2)
N40.037 (3)0.029 (3)0.036 (3)0.006 (2)0.014 (2)0.0066 (19)
C10.021 (3)0.049 (4)0.034 (3)0.008 (3)0.003 (2)0.006 (3)
C20.022 (3)0.029 (3)0.033 (3)0.001 (2)0.004 (2)0.003 (2)
C30.029 (3)0.028 (3)0.023 (3)0.001 (2)0.001 (2)0.001 (2)
C40.027 (3)0.028 (3)0.032 (3)0.003 (2)0.009 (2)0.005 (2)
C50.035 (3)0.033 (3)0.033 (3)0.002 (2)0.010 (3)0.000 (2)
C60.043 (3)0.039 (3)0.026 (3)0.000 (3)0.003 (3)0.001 (2)
C70.034 (3)0.039 (3)0.033 (3)0.003 (3)0.003 (3)0.010 (2)
C80.030 (3)0.030 (3)0.029 (3)0.003 (2)0.010 (2)0.001 (2)
C90.027 (3)0.088 (6)0.045 (4)0.024 (3)0.002 (3)0.005 (4)
C100.098 (6)0.098 (7)0.123 (7)0.026 (5)0.025 (6)0.034 (6)
C110.052 (4)0.114 (6)0.072 (5)0.018 (4)0.008 (4)0.017 (5)
C120.029 (3)0.130 (8)0.050 (4)0.011 (4)0.006 (3)0.002 (4)
C130.027 (3)0.041 (4)0.049 (4)0.008 (3)0.017 (3)0.014 (3)
C140.027 (3)0.027 (3)0.026 (3)0.005 (2)0.006 (2)0.003 (2)
C150.024 (3)0.029 (3)0.024 (3)0.003 (2)0.001 (2)0.000 (2)
C160.030 (3)0.031 (3)0.026 (3)0.002 (2)0.004 (2)0.008 (2)
C170.041 (3)0.035 (3)0.030 (3)0.010 (3)0.005 (3)0.010 (2)
C180.053 (4)0.039 (4)0.034 (3)0.007 (3)0.018 (3)0.017 (3)
C190.031 (3)0.037 (3)0.027 (3)0.004 (2)0.010 (2)0.004 (2)
C200.034 (3)0.040 (3)0.029 (3)0.010 (3)0.004 (3)0.008 (2)
C210.040 (4)0.096 (6)0.037 (4)0.028 (4)0.018 (3)0.022 (4)
C220.064 (5)0.097 (8)0.112 (8)0.005 (5)0.027 (5)0.035 (6)
C230.050 (5)0.168 (11)0.080 (6)0.042 (6)0.033 (5)0.026 (6)
C240.072 (5)0.138 (7)0.048 (4)0.017 (5)0.029 (4)0.003 (4)
C250.044 (4)0.044 (4)0.037 (3)0.006 (3)0.003 (3)0.008 (3)
C260.061 (4)0.041 (4)0.043 (4)0.019 (3)0.008 (3)0.011 (3)
C270.057 (4)0.063 (5)0.050 (4)0.028 (4)0.016 (4)0.023 (4)
C280.041 (4)0.075 (5)0.024 (3)0.015 (3)0.003 (3)0.009 (3)
C290.036 (3)0.048 (4)0.033 (3)0.010 (3)0.006 (3)0.004 (3)
C300.044 (3)0.035 (3)0.040 (3)0.009 (3)0.016 (3)0.008 (3)
C310.055 (4)0.056 (4)0.043 (4)0.017 (3)0.027 (3)0.013 (3)
C320.053 (4)0.044 (4)0.035 (3)0.014 (3)0.015 (3)0.003 (3)
C330.051 (4)0.032 (3)0.039 (3)0.008 (3)0.013 (3)0.000 (3)
C340.040 (3)0.043 (4)0.035 (3)0.000 (3)0.016 (3)0.009 (3)
N50.063 (4)0.060 (4)0.052 (3)0.008 (3)0.021 (3)0.019 (3)
C350.048 (4)0.051 (4)0.059 (4)0.004 (3)0.010 (4)0.014 (3)
C360.050 (4)0.052 (4)0.065 (5)0.011 (3)0.027 (4)0.010 (4)
C370.086 (6)0.045 (4)0.041 (4)0.027 (4)0.019 (4)0.002 (3)
C380.063 (5)0.044 (4)0.047 (4)0.002 (3)0.002 (4)0.009 (3)
C390.065 (5)0.058 (5)0.057 (4)0.020 (4)0.025 (4)0.011 (3)
C400.085 (5)0.057 (5)0.097 (5)0.024 (4)0.070 (5)0.030 (4)
C410.071 (5)0.047 (5)0.087 (6)0.007 (4)0.049 (5)0.008 (4)
C420.103 (7)0.047 (5)0.095 (7)0.006 (5)0.072 (6)0.005 (4)
C430.078 (7)0.049 (5)0.116 (9)0.018 (5)0.001 (6)0.017 (5)
C440.061 (6)0.107 (8)0.091 (7)0.046 (6)0.005 (6)0.010 (6)
C450.068 (6)0.097 (8)0.111 (9)0.003 (6)0.005 (6)0.038 (6)
Geometric parameters (Å, º) top
U—O5i1.780 (4)C6—C71.392 (8)
U—O51.780 (4)C9—C121.460 (9)
U—Cl4i2.6501 (15)C9—C111.472 (7)
U—Cl32.6861 (15)C9—C101.567 (8)
U—Cl42.6501 (15)C14—C191.373 (7)
U—Cl3i2.6862 (15)C14—C151.403 (7)
Gd—O12.601 (4)C15—C161.422 (7)
Gd—O22.302 (3)C16—C171.406 (7)
Gd—O32.635 (3)C16—C201.431 (8)
Gd—O42.298 (3)C17—C181.362 (8)
Gd—N32.620 (4)C18—C191.405 (8)
Gd—N42.609 (4)C21—C231.472 (10)
Gd—Cl12.6695 (14)C21—C241.493 (10)
Gd—Cl22.6869 (14)C21—C221.600 (12)
O1—C21.370 (6)C25—C261.390 (8)
O1—C11.454 (6)C26—C271.399 (10)
O2—C31.309 (6)C27—C281.342 (10)
O2—N12.609 (5)C28—C291.392 (8)
O3—C141.383 (6)C30—C311.383 (8)
O3—C131.448 (6)C31—C321.364 (9)
O4—C151.330 (6)C32—C331.414 (8)
O4—N22.592 (6)C33—C341.384 (8)
N1—C81.285 (7)N5—C391.336 (9)
N1—C91.481 (7)N5—C351.337 (9)
N2—C201.292 (7)C35—C361.376 (10)
N2—C211.483 (7)C36—C371.403 (10)
N3—C291.328 (7)C37—C381.364 (10)
N3—C251.342 (8)C38—C391.369 (10)
N4—C341.333 (7)C40—C411.388 (12)
N4—C301.344 (7)C40—C42ii1.390 (13)
C2—C71.366 (8)C41—C421.381 (11)
C2—C31.435 (7)C42—C40ii1.390 (13)
C3—C41.409 (7)C43—C441.353 (15)
C4—C51.423 (7)C43—C45iii1.365 (14)
C4—C81.431 (7)C44—C451.363 (14)
C5—C61.372 (8)C45—C43iii1.365 (14)
O5i—U—O5180.0C34—N4—C30116.4 (5)
O5i—U—Cl4i90.45 (13)C34—N4—Gd118.1 (4)
O5—U—Cl4i89.55 (13)C30—N4—Gd125.6 (4)
O5i—U—Cl489.55 (13)C7—C2—O1127.0 (5)
O5—U—Cl490.45 (13)C7—C2—C3120.5 (5)
Cl4i—U—Cl4180.0O1—C2—C3112.5 (4)
O5i—U—Cl389.43 (13)O2—C3—C4123.4 (5)
O5—U—Cl390.57 (13)O2—C3—C2118.8 (5)
Cl4i—U—Cl389.71 (5)C4—C3—C2117.8 (4)
Cl4—U—Cl390.29 (5)C3—C4—C5120.5 (5)
O5i—U—Cl3i90.57 (13)C3—C4—C8120.0 (5)
O5—U—Cl3i89.43 (13)C5—C4—C8119.5 (5)
Cl4i—U—Cl3i90.29 (5)C6—C5—C4119.4 (5)
Cl4—U—Cl3i89.71 (5)C5—C6—C7120.9 (5)
Cl3—U—Cl3i180.0C2—C7—C6121.0 (5)
O4—Gd—O2128.51 (12)N1—C8—C4123.2 (5)
O4—Gd—O174.65 (12)C12—C9—C11119.7 (7)
O2—Gd—O163.54 (12)C12—C9—N1112.2 (5)
O4—Gd—N476.39 (13)C11—C9—N1108.5 (5)
O2—Gd—N4154.59 (13)C12—C9—C10105.3 (7)
O1—Gd—N4138.34 (13)C11—C9—C10104.0 (7)
O4—Gd—N3156.17 (13)N1—C9—C10105.9 (6)
O2—Gd—N374.90 (13)C19—C14—O3125.9 (5)
O1—Gd—N3120.13 (13)C19—C14—C15121.8 (5)
N4—Gd—N380.88 (14)O3—C14—C15112.3 (4)
O4—Gd—O363.23 (11)O4—C15—C14120.2 (4)
O2—Gd—O374.10 (12)O4—C15—C16121.6 (5)
O1—Gd—O368.65 (12)C14—C15—C16118.1 (5)
N4—Gd—O3121.78 (13)C17—C16—C15119.4 (5)
N3—Gd—O3137.57 (12)C17—C16—C20120.0 (5)
O4—Gd—Cl189.58 (9)C15—C16—C20120.6 (5)
O2—Gd—Cl1105.62 (10)C18—C17—C16120.6 (5)
O1—Gd—Cl174.25 (9)C17—C18—C19120.8 (5)
N4—Gd—Cl176.25 (11)C14—C19—C18119.2 (5)
N3—Gd—Cl178.05 (11)N2—C20—C16122.6 (5)
O3—Gd—Cl1138.38 (8)C23—C21—N2111.7 (5)
O4—Gd—Cl2103.34 (10)C23—C21—C24118.2 (7)
O2—Gd—Cl289.47 (9)N2—C21—C24107.8 (6)
O1—Gd—Cl2137.57 (9)C23—C21—C22106.1 (7)
N4—Gd—Cl278.19 (11)N2—C21—C22105.4 (6)
N3—Gd—Cl278.62 (11)C24—C21—C22106.8 (7)
O3—Gd—Cl272.88 (8)N3—C25—C26122.8 (6)
Cl1—Gd—Cl2147.64 (4)C25—C26—C27118.3 (6)
C2—O1—C1116.2 (4)C28—C27—C26118.4 (6)
C2—O1—Gd116.4 (3)C27—C28—C29120.4 (6)
C1—O1—Gd127.3 (3)N3—C29—C28122.4 (6)
C3—O2—Gd126.1 (3)N4—C30—C31124.0 (6)
C3—O2—N186.3 (3)C32—C31—C30119.4 (6)
Gd—O2—N1144.69 (19)C31—C32—C33117.9 (6)
C14—O3—C13115.7 (4)C34—C33—C32118.3 (6)
C14—O3—Gd116.7 (3)N4—C34—C33124.0 (5)
C13—O3—Gd127.3 (3)C39—N5—C35116.2 (6)
C15—O4—Gd127.0 (3)N5—C35—C36123.3 (7)
C15—O4—N287.2 (3)C35—C36—C37118.6 (7)
Gd—O4—N2144.44 (18)C38—C37—C36118.5 (6)
C8—N1—C9126.4 (5)C37—C38—C39118.3 (7)
C8—N1—O287.1 (3)N5—C39—C38125.0 (7)
C9—N1—O2146.4 (4)C41—C40—C42ii123.4 (8)
C20—N2—C21128.8 (5)C42—C41—C40114.8 (8)
C20—N2—O487.8 (3)C41—C42—C40ii121.8 (8)
C21—N2—O4143.3 (4)C44—C43—C45iii122.1 (9)
C29—N3—C25117.7 (5)C43—C44—C45116.1 (10)
C29—N3—Gd124.6 (4)C44—C45—C43iii121.8 (10)
C25—N3—Gd117.6 (4)
Symmetry codes: (i) x, y, z; (ii) x+2, y1, z; (iii) x+2, y, z+1.
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
N1—H1···O20.971.732.609 (5)148
N2—H2···O40.871.862.592 (6)140
 

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