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The title complex, [Gd2(C3H7NO2)4(H2O)8](ClO4)6, contains centrosymmetric dimeric [Gd2(Ala)4(H2O)8]6+ cations (Ala is [alpha]-alanine) and perchlorate anions. The four alanine mol­ecules act as bridging ligands linking two Gd3+ ions through their carboxylate O atoms. Each Gd3+ ion is also coordinated by four water mol­ecules, which complete an eightfold coordination in a square-antiprism fashion. The perchlorate anions and the methyl groups of the alanine ligands are disordered.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S0108270102022734/vj1183sup1.cif
Contains datablocks global, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S0108270102022734/vj1183Isup2.hkl
Contains datablock I

CCDC reference: 205294

Comment top

In recent years, the uses of rare earth elements have become widespread. More and more rare earth elements are entering the environment and the human body via the food chain, etc. Therefore, it is important to study the biological effects of these elements. The structural investigation of rare earth ion–amino acid complexes is of interest with respect to both the understanding of the biological effects of rare earth elements and the enrichment of rare-earth coordination chemistry. Some structures of such complexes have been reported; see, for example, Legendziewicz et al. (1984), Csoregh et al. (1989), Glowiak et al. (1991), Hu et al. (1995), Ma et al. (1995) and Wang et al. (1994). However, reports of the crystal structures of gadolinium–amino acid complexes are rare (Zheng et al., 1993; Gao et al., 2001), and there are no reports of the crystal structures of gadolinium–alanine complexes. In this paper, crystal structure of the title complex, (I), has been studied in order to study the crystal structure of a rare-earth complex with an amino acid and to predict the structural parameters of unknown complexes of rare earth elements with amino acids by artificial neural network.

The title compound crystallized in the triclinic system and the structure consists of centrosymmetric dimeric [Gd2(Ala)4(H2O)8]6+ complex cations (Ala is α-alanine) and ClO4 anions. Their configuration of the ions is illustrated in Fig. 1 and selected geometric parameters are listed in Table 1. The alanine molecules exist in the zwitterionic form, with the amine groups protonated and the carboxyl groups deprotonated. The two gadolinium ions in the dimeric [Gd2(Ala)4(H2O)8]6+ complex cation are connected by four bridging carboxylate groups; the Gd···Gd distance is 4.410(?)Å, indicating that there is no metal-metal bond in the complex. The average Gd—Ocarboxylate bond length is 2.333 Å. Each pair of carboxylate groups is coplanar with the two Gd3+ ions and the dihedral angle between the two planes is 89(?)°, showing the two planes to be almost perpendicular. The coordination polyhedron around the Gd3+ ion is a square antiprism, with four of the sites occupied by the carboxylate O atoms and the other four sites occupied by the O atoms of the four coordinated water molecules (mean Gd—Owater = 2.453 Å), completing an eightfold coordination. The arrangement of ions in the unit cell is shown in Fig 2. The perchlorate anions are disordered and reside in the cavities of the crystal. Two perchlorate O atoms form hydrogen bonds with the –NH3+ group and coordinated water molecules from two [Gd2(Ala)4(H2O)8]6+ cations. This hydrogen-bonded structure stabilizes the crystal packing.

The optic purity of L-alanine is 68.9%. Though the content of L-alanine is higher than that of D-alanine, the methyl groups are disordered over two positions corresponding to the D and L configurations of alanine in the complex. According to statistical results, the probability of methyl groups occupying two positions is equal. In addition, the two different orientations of the methyl groups can decrease their potential energy and enhance the symmetry of the crystal structure. Therefore, equal numbers of L– and D-alanine molecules were selected to form the dimeric cations with GdIII ions.

The structures of [Gd2(Pro)6(H2O)6](ClO4)6 (Pro os proline; Zheng et al., 1993) and [Gd(Gly)3(H2O)2]Cl3·H2O (Gly is glycine; Gao et al., 2001) have been reported. They both consist of one-dimensional chains in which two neighboring Gd3+ ions are connected by bridging carboxylate groups; the Gd···Gd distances are 4.722 and 4.765 Å, respectively. The mean Gd—Ocarboxylate bond lengths are 2.357 and 2.489 Å, respectively. By comparing the dimeric form with the chain structures, it is found that the Gd—Ocarboxylate bond lengths influence the distances between neighboring GdIII ions. The shorter mean Gd—Ocarboxylate length (2.333 Å) found in the dimeric structure leads to a Gd···Gd distance (4.410 Å) which is considerably shorter than corresponding distances found in the chain structures. In addition, this can make the dimeric complex more stable.

Experimental top

For the preparation of the title compound, gadolinium perchlorate and alanine were mixed in a 1:1 molar ratio in water. The mixed solution was neutralized with an NaOH solution to a pH of 7.0 with stirring. The gadolinium ions were partially hydrolyzed to form a precipitate which was filtered off. The remaining filtrate was evaporated slowly at room temperature, yielding colorless prismatic crystals.

Refinement top

The perchlorate groups and the methyl groups of the alanine ligands were found to be disordered. The occupancy factors for the disordered atoms, each in two positions, were estimated on the basis of electron densities. All non-H atoms were refined anisotropically, except for those with occupancy factors less than 1/2, which were refined isotropically. H-atom parameters were not defined.

Computing details top

Data collection: P4 Software (Siemens, 1995); cell refinement: P4 Software; data reduction: P4 Software; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: please provide; software used to prepare material for publication: SHELXL97.

Figures top
[Figure 1] Fig. 1. The structure of [Gd2(Ala)4(H2O)8](ClO4)6. Displacement ellipsoids are shown at the 00% probability level and H atoms have been omitted.
[Figure 2] Fig. 2. The arrangement of the ionic components of [Gd2(Ala)4(H2O)8](ClO4)6 in the unit cell.
Tetra-µ-α-alanine-bis[tetraaquagadolinium(III)] hexaperchlorate top
Crystal data top
[Gd2(C3H7NO2)4(H2O)8](ClO4)6Z = 1
Mr = 1411.71F(000) = 694
Triclinic, P1Dx = 2.053 Mg m3
a = 11.057 (2) ÅMo Kα radiation, λ = 0.71073 Å
b = 11.0584 (18) ÅCell parameters from 23 reflections
c = 11.339 (3) Åθ = 4.7–8.2°
α = 78.420 (18)°µ = 3.35 mm1
β = 64.689 (16)°T = 293 K
γ = 65.696 (16)°Prismatic, colorless
V = 1141.7 (4) Å30.52 × 0.40 × 0.32 mm
Data collection top
Siemens P4
diffractometer
3879 reflections with I > 2σ(I)
Radiation source: fine-focus sealed tubeRint = 0.025
Graphite monochromatorθmax = 26.0°, θmin = 2.0°
ω scansh = 1211
Absorption correction: ψ scan
Sheldrick, 1983
k = 131
Tmin = 0.640, Tmax = 0.947l = 1313
5251 measured reflections3 standard reflections every 97 reflections
4367 independent reflections intensity decay: none
Refinement top
Refinement on F2Secondary atom site location: difference Fourier map
Least-squares matrix: fullHydrogen site location: inferred from neighbouring sites
R[F2 > 2σ(F2)] = 0.044H-atom parameters not refined
wR(F2) = 0.119 w = 1/[σ2(Fo2) + (0.075P)2 + 3.0801P]
where P = (Fo2 + 2Fc2)/3
S = 1.01(Δ/σ)max = 0.042
4367 reflectionsΔρmax = 1.32 e Å3
312 parametersΔρmin = 1.06 e Å3
25 restraintsExtinction correction: SHELXL97, Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4
Primary atom site location: structure-invariant direct methodsExtinction coefficient: 0.0187 (13)
Crystal data top
[Gd2(C3H7NO2)4(H2O)8](ClO4)6γ = 65.696 (16)°
Mr = 1411.71V = 1141.7 (4) Å3
Triclinic, P1Z = 1
a = 11.057 (2) ÅMo Kα radiation
b = 11.0584 (18) ŵ = 3.35 mm1
c = 11.339 (3) ÅT = 293 K
α = 78.420 (18)°0.52 × 0.40 × 0.32 mm
β = 64.689 (16)°
Data collection top
Siemens P4
diffractometer
3879 reflections with I > 2σ(I)
Absorption correction: ψ scan
Sheldrick, 1983
Rint = 0.025
Tmin = 0.640, Tmax = 0.9473 standard reflections every 97 reflections
5251 measured reflections intensity decay: none
4367 independent reflections
Refinement top
R[F2 > 2σ(F2)] = 0.04425 restraints
wR(F2) = 0.119H-atom parameters not refined
S = 1.01Δρmax = 1.32 e Å3
4367 reflectionsΔρmin = 1.06 e Å3
312 parameters
Special details top

Experimental. ? # Insert any comments here.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/UeqOcc. (<1)
Gd0.21839 (3)0.00526 (3)0.09624 (3)0.02820 (16)
Cl10.6534 (2)0.3720 (2)0.4737 (2)0.0519 (5)
Cl20.3376 (3)0.4286 (2)0.0248 (3)0.0636 (6)
Cl30.7092 (3)0.0711 (3)0.3867 (2)0.0640 (6)
OW10.2677 (10)0.2066 (8)0.1651 (7)0.077 (2)
OW20.3364 (7)0.0180 (7)0.3358 (5)0.0554 (15)
OW30.4585 (6)0.1646 (7)0.1659 (6)0.0602 (16)
OW40.3464 (7)0.0275 (7)0.0307 (6)0.0606 (17)
O10.1817 (6)0.1551 (5)0.1720 (6)0.0466 (13)
O20.0483 (6)0.1351 (6)0.0833 (6)0.0554 (15)
O30.2039 (7)0.1535 (6)0.0760 (5)0.0532 (15)
O40.0286 (7)0.1246 (6)0.1601 (7)0.0639 (18)
O50.7401 (16)0.3854 (17)0.4048 (15)0.110 (5)0.70
O60.7290 (18)0.3693 (13)0.6088 (10)0.116 (6)0.70
O70.5380 (14)0.2541 (12)0.4390 (16)0.105 (5)0.70
O80.6139 (14)0.4851 (11)0.4409 (10)0.079 (3)0.70
O5'0.784 (2)0.476 (3)0.483 (4)0.148 (16)*0.30
O6'0.669 (5)0.249 (3)0.501 (4)0.19 (2)*0.30
O7'0.552 (3)0.374 (4)0.341 (2)0.125 (12)*0.30
O8'0.597 (4)0.394 (4)0.555 (3)0.19 (2)*0.30
O90.441 (2)0.2989 (18)0.0495 (18)0.116 (6)*0.60
O100.397 (2)0.519 (2)0.119 (2)0.139 (7)*0.60
O110.216 (2)0.426 (2)0.034 (2)0.133 (7)*0.60
O120.303 (3)0.455 (2)0.099 (2)0.157 (9)*0.60
O9'0.442 (3)0.414 (3)0.031 (4)0.146 (11)*0.40
O10'0.392 (3)0.433 (3)0.163 (2)0.100 (7)*0.40
O11'0.269 (4)0.336 (3)0.034 (4)0.172 (15)*0.40
O12'0.217 (3)0.546 (3)0.019 (4)0.151 (12)*0.40
O130.7933 (14)0.0099 (12)0.3117 (13)0.128 (4)*
O140.586 (2)0.043 (2)0.346 (2)0.112 (6)*0.60
O150.666 (2)0.2207 (17)0.4059 (19)0.113 (5)*0.60
O160.807 (2)0.0222 (19)0.5196 (19)0.120 (6)*0.60
O14'0.639 (3)0.003 (2)0.408 (3)0.090 (6)*0.40
O15'0.583 (2)0.180 (3)0.295 (3)0.152 (12)*0.40
O16'0.774 (4)0.133 (4)0.503 (3)0.165 (13)*0.40
N10.2696 (8)0.3483 (7)0.3219 (7)0.0507 (17)
N20.2707 (8)0.3434 (7)0.2412 (7)0.0506 (17)
C10.0773 (8)0.1860 (7)0.1609 (7)0.0391 (16)
C20.1178 (10)0.2906 (13)0.2495 (11)0.081 (4)
C30.027 (3)0.361 (2)0.213 (3)0.084 (8)0.50
C3'0.009 (2)0.275 (2)0.294 (3)0.076 (7)0.50
C40.0943 (8)0.1777 (7)0.1600 (7)0.0386 (16)
C50.1166 (9)0.2736 (10)0.2689 (8)0.057 (2)
C60.012 (2)0.229 (3)0.4017 (16)0.078 (7)0.50
C6'0.027 (3)0.350 (3)0.310 (4)0.124 (14)0.50
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Gd0.0251 (2)0.0342 (2)0.0242 (2)0.00999 (14)0.00894 (13)0.00196 (12)
Cl10.0560 (12)0.0387 (10)0.0429 (10)0.0052 (9)0.0148 (9)0.0009 (8)
Cl20.0727 (15)0.0560 (13)0.0674 (14)0.0142 (12)0.0375 (12)0.0093 (11)
Cl30.0717 (15)0.0884 (18)0.0513 (12)0.0440 (14)0.0281 (11)0.0003 (11)
OW10.129 (7)0.074 (5)0.060 (4)0.070 (5)0.042 (4)0.015 (3)
OW20.057 (4)0.075 (4)0.030 (3)0.028 (3)0.010 (3)0.000 (3)
OW30.042 (3)0.065 (4)0.048 (3)0.001 (3)0.014 (3)0.004 (3)
OW40.048 (3)0.092 (5)0.052 (3)0.028 (3)0.024 (3)0.008 (3)
O10.043 (3)0.044 (3)0.056 (3)0.016 (2)0.017 (3)0.013 (2)
O20.047 (3)0.060 (4)0.046 (3)0.015 (3)0.001 (3)0.027 (3)
O30.062 (4)0.050 (3)0.040 (3)0.019 (3)0.021 (3)0.015 (2)
O40.053 (4)0.054 (4)0.086 (5)0.003 (3)0.049 (4)0.003 (3)
O50.106 (10)0.156 (14)0.119 (11)0.075 (10)0.081 (9)0.034 (10)
O60.143 (13)0.093 (9)0.039 (5)0.027 (9)0.005 (7)0.013 (6)
O70.077 (8)0.054 (7)0.152 (13)0.021 (6)0.042 (8)0.047 (8)
O80.114 (9)0.062 (6)0.063 (6)0.040 (6)0.035 (6)0.010 (5)
N10.041 (4)0.049 (4)0.049 (4)0.004 (3)0.008 (3)0.022 (3)
N20.042 (4)0.046 (4)0.058 (4)0.006 (3)0.029 (3)0.012 (3)
C10.044 (4)0.042 (4)0.028 (3)0.013 (3)0.011 (3)0.010 (3)
C20.041 (5)0.119 (10)0.081 (7)0.017 (6)0.003 (5)0.076 (7)
C30.079 (16)0.068 (14)0.104 (19)0.048 (13)0.001 (14)0.036 (14)
C3'0.069 (14)0.080 (15)0.102 (18)0.015 (12)0.057 (14)0.026 (14)
C40.048 (4)0.034 (4)0.039 (4)0.012 (3)0.026 (3)0.001 (3)
C50.032 (4)0.069 (6)0.045 (4)0.010 (4)0.009 (3)0.017 (4)
C60.050 (11)0.112 (19)0.043 (10)0.029 (12)0.006 (9)0.004 (11)
C6'0.069 (16)0.080 (18)0.20 (4)0.045 (15)0.04 (2)0.06 (2)
Geometric parameters (Å, º) top
Gd—O4i2.304 (6)Cl3—O16'1.40 (3)
Gd—O2i2.328 (5)Cl3—O141.39 (2)
Gd—O32.347 (5)Cl3—O131.404 (13)
Gd—O12.356 (5)Cl3—O161.479 (19)
Gd—OW12.408 (6)Cl3—O14'1.45 (2)
Gd—OW32.429 (6)Cl3—O151.520 (18)
Gd—OW22.463 (5)Cl3—O15'1.538 (17)
Gd—OW42.511 (6)O1—C11.284 (9)
Cl1—O5'1.404 (17)O2—C11.238 (9)
Cl1—O6'1.394 (17)O2—Gdi2.328 (5)
Cl1—O71.375 (10)O3—C41.275 (10)
Cl1—O61.398 (10)O4—C41.238 (10)
Cl1—O8'1.420 (17)O4—Gdi2.304 (6)
Cl1—O51.425 (12)N1—C21.432 (11)
Cl1—O81.420 (11)N2—C51.469 (10)
Cl1—O7'1.446 (17)C1—C21.485 (10)
Cl2—O121.35 (2)C2—C31.394 (15)
Cl2—O12'1.41 (3)C2—C3'1.426 (15)
Cl2—O111.41 (2)C3—C3'1.20 (4)
Cl2—O91.408 (18)C4—C51.493 (11)
Cl2—O10'1.42 (3)C5—C6'1.430 (16)
Cl2—O11'1.42 (3)C5—C61.479 (15)
Cl2—O101.45 (2)C6—C6'1.76 (4)
Cl2—O9'1.48 (3)
O4i—Gd—O2i77.2 (2)O12—Cl2—O11'84.5 (19)
O4i—Gd—O3122.4 (2)O12'—Cl2—O11'98.9 (17)
O2i—Gd—O377.8 (2)O11—Cl2—O11'51.9 (15)
O4i—Gd—O175.4 (2)O9—Cl2—O11'70.6 (16)
O2i—Gd—O1123.6 (2)O10'—Cl2—O11'114 (2)
O3—Gd—O177.1 (2)O12—Cl2—O10112.9 (14)
O4i—Gd—OW182.4 (3)O12'—Cl2—O1082.4 (16)
O2i—Gd—OW180.1 (3)O11—Cl2—O10112.9 (13)
O3—Gd—OW1141.2 (2)O9—Cl2—O10108.7 (12)
O1—Gd—OW1141.5 (2)O10'—Cl2—O1048.9 (12)
O4i—Gd—OW3142.9 (2)O11'—Cl2—O10161.2 (19)
O2i—Gd—OW3139.9 (2)O12—Cl2—O9'55.3 (15)
O3—Gd—OW376.3 (2)O12'—Cl2—O9'109.5 (17)
O1—Gd—OW379.2 (2)O11—Cl2—O9'160.1 (17)
OW1—Gd—OW3102.2 (3)O9—Cl2—O9'72.6 (14)
O4i—Gd—OW276.8 (2)O10'—Cl2—O9'114.4 (18)
O2i—Gd—OW2142.1 (2)O11'—Cl2—O9'111.3 (18)
O3—Gd—OW2139.9 (2)O10—Cl2—O9'85.6 (16)
O1—Gd—OW274.9 (2)O16'—Cl3—O14129.0 (19)
OW1—Gd—OW269.6 (2)O16'—Cl3—O13114.7 (18)
OW3—Gd—OW270.8 (2)O14—Cl3—O13115.4 (10)
O4i—Gd—OW4141.3 (2)O16'—Cl3—O1647.5 (16)
O2i—Gd—OW471.5 (2)O14—Cl3—O16110.1 (12)
O3—Gd—OW472.4 (2)O13—Cl3—O16104.2 (10)
O1—Gd—OW4141.7 (2)O16'—Cl3—O14'110.8 (19)
OW1—Gd—OW470.5 (2)O14—Cl3—O14'32.8 (11)
OW3—Gd—OW471.8 (2)O13—Cl3—O14'118.0 (11)
OW2—Gd—OW4116.4 (2)O16—Cl3—O14'78.3 (13)
O5'—Cl1—O6'111.2 (16)O16'—Cl3—O1556.5 (16)
O5'—Cl1—O7160.7 (18)O14—Cl3—O15107.4 (11)
O6'—Cl1—O757.5 (18)O13—Cl3—O15115.8 (9)
O5'—Cl1—O680.4 (17)O16—Cl3—O15103.1 (9)
O6'—Cl1—O675.4 (18)O14'—Cl3—O15123.8 (12)
O7—Cl1—O6108.8 (9)O16'—Cl3—O15'107.6 (17)
O5'—Cl1—O8'110.6 (16)O14—Cl3—O15'71.4 (15)
O6'—Cl1—O8'111.9 (16)O13—Cl3—O15'101.0 (11)
O7—Cl1—O8'88.6 (19)O16—Cl3—O15'150.6 (13)
O6—Cl1—O8'61.7 (18)O14'—Cl3—O15'102.9 (16)
O5'—Cl1—O553.3 (17)O15—Cl3—O15'51.4 (13)
O6'—Cl1—O578.4 (19)C1—O1—Gd139.0 (5)
O7—Cl1—O5107.5 (10)C1—O2—Gdi151.1 (5)
O6—Cl1—O5111.7 (10)C4—O3—Gd129.4 (5)
O8'—Cl1—O5163.9 (18)C4—O4—Gdi162.1 (6)
O5'—Cl1—O877.9 (17)O2—C1—O1124.3 (7)
O6'—Cl1—O8170.9 (19)O2—C1—C2120.9 (7)
O7—Cl1—O8113.6 (9)O1—C1—C2114.8 (7)
O6—Cl1—O8107.7 (8)C3—C2—C3'50.4 (16)
O8'—Cl1—O863.9 (18)C3—C2—N1122.8 (14)
O5—Cl1—O8107.6 (8)C3'—C2—N1125.2 (12)
O5'—Cl1—O7'107.5 (15)C3—C2—C1116.9 (11)
O6'—Cl1—O7'108.8 (15)C3'—C2—C1114.5 (11)
O7—Cl1—O7'66.6 (15)N1—C2—C1113.2 (7)
O6—Cl1—O7'168.2 (15)C3'—C3—C266.2 (12)
O8'—Cl1—O7'106.7 (15)C3—C3'—C263.4 (12)
O5—Cl1—O7'80.1 (15)O4—C4—O3125.0 (7)
O8—Cl1—O7'66.5 (15)O4—C4—C5118.2 (7)
O12—Cl2—O12'67.0 (16)O3—C4—C5116.7 (7)
O12—Cl2—O11108.2 (14)C6'—C5—C674.6 (19)
O12'—Cl2—O1167.9 (15)C6'—C5—N2118.6 (14)
O12—Cl2—O9107.6 (12)C6—C5—N2121.3 (12)
O12'—Cl2—O9168.9 (16)C6'—C5—C4111.8 (13)
O11—Cl2—O9106.2 (12)C6—C5—C4115.6 (12)
O12—Cl2—O10'161.7 (15)N2—C5—C4110.6 (6)
O12'—Cl2—O10'107.7 (18)C6'—C6—C551.4 (10)
O11—Cl2—O10'84.4 (14)C5—C6'—C654.0 (12)
O9—Cl2—O10'80.4 (13)
Symmetry code: (i) x, y, z.

Experimental details

Crystal data
Chemical formula[Gd2(C3H7NO2)4(H2O)8](ClO4)6
Mr1411.71
Crystal system, space groupTriclinic, P1
Temperature (K)293
a, b, c (Å)11.057 (2), 11.0584 (18), 11.339 (3)
α, β, γ (°)78.420 (18), 64.689 (16), 65.696 (16)
V3)1141.7 (4)
Z1
Radiation typeMo Kα
µ (mm1)3.35
Crystal size (mm)0.52 × 0.40 × 0.32
Data collection
DiffractometerSiemens P4
diffractometer
Absorption correctionψ scan
Sheldrick, 1983
Tmin, Tmax0.640, 0.947
No. of measured, independent and
observed [I > 2σ(I)] reflections
5251, 4367, 3879
Rint0.025
(sin θ/λ)max1)0.617
Refinement
R[F2 > 2σ(F2)], wR(F2), S 0.044, 0.119, 1.01
No. of reflections4367
No. of parameters312
No. of restraints25
H-atom treatmentH-atom parameters not refined
Δρmax, Δρmin (e Å3)1.32, 1.06

Computer programs: P4 Software (Siemens, 1995), P4 Software, SHELXS97 (Sheldrick, 1997), SHELXL97 (Sheldrick, 1997), please provide, SHELXL97.

Selected geometric parameters (Å, º) top
Gd—O4i2.304 (6)Gd—OW12.408 (6)
Gd—O2i2.328 (5)Gd—OW32.429 (6)
Gd—O32.347 (5)Gd—OW22.463 (5)
Gd—O12.356 (5)Gd—OW42.511 (6)
O4i—Gd—O2i77.2 (2)OW1—Gd—OW3102.2 (3)
O4i—Gd—O3122.4 (2)O4i—Gd—OW276.8 (2)
O2i—Gd—O377.8 (2)O2i—Gd—OW2142.1 (2)
O4i—Gd—O175.4 (2)O3—Gd—OW2139.9 (2)
O2i—Gd—O1123.6 (2)O1—Gd—OW274.9 (2)
O3—Gd—O177.1 (2)OW1—Gd—OW269.6 (2)
O4i—Gd—OW182.4 (3)OW3—Gd—OW270.8 (2)
O2i—Gd—OW180.1 (3)O4i—Gd—OW4141.3 (2)
O3—Gd—OW1141.2 (2)O2i—Gd—OW471.5 (2)
O1—Gd—OW1141.5 (2)O3—Gd—OW472.4 (2)
O4i—Gd—OW3142.9 (2)O1—Gd—OW4141.7 (2)
O2i—Gd—OW3139.9 (2)OW1—Gd—OW470.5 (2)
O3—Gd—OW376.3 (2)OW3—Gd—OW471.8 (2)
O1—Gd—OW379.2 (2)OW2—Gd—OW4116.4 (2)
Symmetry code: (i) x, y, z.
 

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