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The title compound, [Gd2(C4H5O2)6(C12H8N2)2]·2H2O, is a discrete centrosymmetric dinuclear complex. The GdIII atoms are bridged by two bidentate and two tridentate carboxyl­ate groups, with a Gd...Gd separation of 3.957 (1) Å. Each GdIII atom exhibits a distorted tricapped trigonal prismatic coordination, formed by seven O atoms of meth­acrylate groups and two N atoms of the bidentate chelating 1,10-phenanthroline ligand. The crystal packing is stabilized by π–π stacking inter­actions and van der Waals forces.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536806030212/ng2064sup1.cif
Contains datablocks global, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536806030212/ng2064Isup2.hkl
Contains datablock I

CCDC reference: 621423

Key indicators

  • Single-crystal X-ray study
  • T = 293 K
  • Mean [sigma](C-C) = 0.008 Å
  • R factor = 0.030
  • wR factor = 0.077
  • Data-to-parameter ratio = 14.3

checkCIF/PLATON results

No syntax errors found



Alert level C PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ .... ? PLAT220_ALERT_2_C Large Non-Solvent C Ueq(max)/Ueq(min) ... 2.81 Ratio PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X) Gd - O3 .. 5.11 su PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X) Gd - O4_a .. 9.13 su PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C14 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C22 PLAT362_ALERT_2_C Short C(sp3)-C(sp2) Bond C14 - C16 ... 1.41 Ang.
Alert level G PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature 293 K PLAT200_ALERT_1_G Check the Reported _diffrn_ambient_temperature . 293 K
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 7 ALERT level C = Check and explain 2 ALERT level G = General alerts; check 3 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 6 ALERT type 2 Indicator that the structure model may be wrong or deficient 0 ALERT type 3 Indicator that the structure quality may be low 0 ALERT type 4 Improvement, methodology, query or suggestion 0 ALERT type 5 Informative message, check

Computing details top

Data collection: RAPID-AUTO (Rigaku, 1998); cell refinement: RAPID-AUTO; data reduction: CrystalStructure (Rigaku/MSC, 2002); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ORTEP-3 (Farrugia, 1997); software used to prepare material for publication: SHELXL97.

Tetra-µ-α-methylacrylato-bis[(methylacrylato)(1,10- phenanthroline)gadolinium(III)] dihydrate top
Crystal data top
[Gd2(C4H5O2)6(C12H8N2)2]·2H2OZ = 1
Mr = 1221.42F(000) = 606
Triclinic, P1Dx = 1.713 Mg m3
Hall symbol: -P 1Mo Kα radiation, λ = 0.71069 Å
a = 10.783 (2) ÅCell parameters from 10877 reflections
b = 10.894 (2) Åθ = 3.2–27.6°
c = 11.628 (2) ŵ = 2.85 mm1
α = 69.59 (2)°T = 293 K
β = 77.14 (2)°Plate, colorless
γ = 68.44 (2)°0.33 × 0.23 × 0.06 mm
V = 1183.7 (4) Å3
Data collection top
Rigaku R-AXIS RAPID
diffractometer
4527 independent reflections
Radiation source: fine-focus sealed tube4159 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.040
Detector resolution: 10.00 pixels mm-1θmax = 25.8°, θmin = 3.2°
ω scansh = 1313
Absorption correction: multi-scan
(ABSCOR; Higashi, 1995)
k = 1310
Tmin = 0.471, Tmax = 0.848l = 1414
10058 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)] = 0.030Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.077H atoms treated by a mixture of independent and constrained refinement
S = 1.06 w = 1/[σ2(Fo2) + (0.0379P)2 + 0.5838P]
where P = (Fo2 + 2Fc2)/3
4527 reflections(Δ/σ)max = 0.002
316 parametersΔρmax = 1.21 e Å3
3 restraintsΔρmin = 0.81 e Å3
Special details top

Experimental. IR (KBr, ν cm-1): 1658, 1576, 1525, 1435, 846, 739.

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. 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
Gd0.358181 (16)0.564213 (18)0.626282 (16)0.02800 (8)
O10.1928 (3)0.4603 (3)0.7561 (3)0.0446 (7)
O20.3867 (3)0.3796 (3)0.8294 (3)0.0413 (7)
O30.3822 (3)0.7931 (3)0.5151 (3)0.0402 (7)
O40.4756 (3)0.3622 (3)0.5690 (3)0.0364 (6)
O50.2645 (3)0.5834 (3)0.4516 (3)0.0407 (7)
O60.5770 (3)0.5214 (3)0.6745 (3)0.0398 (7)
O70.6389 (6)0.1824 (7)0.7901 (6)0.1121 (19)
N10.3090 (3)0.6892 (4)0.7906 (3)0.0371 (8)
N20.1243 (3)0.7520 (4)0.6374 (3)0.0364 (7)
C10.3938 (5)0.6539 (5)0.8717 (4)0.0442 (10)
H10.46670.57380.87620.053*
C20.3795 (5)0.7308 (6)0.9511 (4)0.0510 (11)
H20.44050.70081.00810.061*
C30.2757 (5)0.8493 (6)0.9438 (4)0.0529 (12)
H30.26690.90320.99380.063*
C40.1819 (5)0.8904 (5)0.8610 (4)0.0413 (10)
C50.0661 (5)1.0126 (5)0.8495 (5)0.0515 (12)
H50.05671.07390.89240.062*
C60.0280 (5)1.0395 (5)0.7785 (5)0.0524 (12)
H60.10311.11740.77550.063*
C70.0162 (4)0.9508 (5)0.7066 (4)0.0425 (10)
C80.1159 (4)0.9696 (5)0.6375 (5)0.0514 (12)
H80.19501.04340.63480.062*
C90.0962 (5)0.8797 (6)0.5751 (5)0.0528 (12)
H90.16380.88770.53260.063*
C100.0263 (4)0.7738 (5)0.5742 (4)0.0465 (11)
H100.03970.71590.52670.056*
C110.1025 (4)0.8365 (4)0.7070 (4)0.0324 (8)
C120.2016 (4)0.8054 (4)0.7860 (4)0.0333 (8)
C130.2680 (4)0.3803 (4)0.8389 (4)0.0377 (9)
C140.2155 (5)0.2844 (5)0.9504 (4)0.0504 (11)
C150.0790 (7)0.3107 (8)0.9749 (6)0.092 (2)
H15A0.04360.25351.04370.110*
H15B0.02200.38570.92260.110*
C160.3103 (7)0.1733 (7)1.0239 (6)0.087 (2)
H16A0.26850.10611.07660.131*
H16B0.34280.20711.07350.131*
H16C0.38390.13150.97160.131*
C170.4849 (4)0.7574 (4)0.4445 (4)0.0332 (8)
C180.5644 (5)0.8533 (5)0.3798 (4)0.0424 (10)
C190.4885 (6)1.0045 (5)0.3438 (6)0.0665 (15)
H19A0.55021.05610.32080.100*
H19B0.42651.02700.41240.100*
H19C0.44011.02730.27520.100*
C200.6970 (5)0.8017 (6)0.3638 (5)0.0595 (14)
H20A0.73880.70700.39280.071*
H20B0.74810.86020.32360.071*
C210.3029 (4)0.5235 (4)0.3688 (4)0.0341 (9)
C220.1995 (4)0.5044 (5)0.3145 (4)0.0412 (10)
C230.0706 (5)0.5638 (7)0.3435 (6)0.0706 (17)
H23A0.00650.55160.31040.085*
H23B0.04410.61770.39690.085*
C240.2474 (6)0.4182 (8)0.2306 (7)0.082 (2)
H24A0.17320.39960.21520.123*
H24B0.31260.33270.26780.123*
H24C0.28780.46590.15420.123*
H710.560 (4)0.228 (9)0.817 (7)0.150*
H720.644 (8)0.213 (9)0.7104 (11)0.150*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Gd0.02317 (11)0.03131 (12)0.03092 (12)0.00962 (8)0.00163 (8)0.01057 (8)
O10.0367 (16)0.0518 (19)0.0442 (17)0.0225 (15)0.0036 (14)0.0044 (15)
O20.0359 (16)0.0428 (17)0.0440 (16)0.0145 (13)0.0063 (13)0.0078 (13)
O30.0309 (15)0.0384 (16)0.0482 (17)0.0106 (13)0.0044 (13)0.0146 (14)
O40.0385 (15)0.0329 (15)0.0424 (15)0.0132 (13)0.0041 (13)0.0149 (13)
O50.0300 (15)0.0514 (18)0.0441 (16)0.0071 (13)0.0078 (12)0.0220 (14)
O60.0278 (15)0.0550 (19)0.0414 (16)0.0143 (13)0.0038 (12)0.0186 (14)
O70.091 (4)0.120 (5)0.113 (4)0.014 (3)0.031 (3)0.058 (4)
N10.0376 (19)0.0397 (19)0.0350 (18)0.0137 (16)0.0029 (15)0.0115 (15)
N20.0299 (17)0.0412 (19)0.0368 (18)0.0111 (15)0.0007 (14)0.0119 (15)
C10.042 (2)0.056 (3)0.039 (2)0.015 (2)0.0074 (19)0.016 (2)
C20.045 (3)0.064 (3)0.047 (3)0.015 (2)0.009 (2)0.020 (2)
C30.064 (3)0.065 (3)0.046 (3)0.032 (3)0.002 (2)0.029 (2)
C40.043 (2)0.045 (2)0.041 (2)0.021 (2)0.0064 (19)0.017 (2)
C50.055 (3)0.046 (3)0.054 (3)0.014 (2)0.007 (2)0.025 (2)
C60.047 (3)0.045 (3)0.053 (3)0.005 (2)0.007 (2)0.017 (2)
C70.034 (2)0.039 (2)0.042 (2)0.0083 (19)0.0060 (19)0.0071 (19)
C80.027 (2)0.057 (3)0.056 (3)0.001 (2)0.003 (2)0.014 (2)
C90.032 (2)0.066 (3)0.056 (3)0.010 (2)0.008 (2)0.017 (3)
C100.035 (2)0.056 (3)0.051 (3)0.012 (2)0.008 (2)0.019 (2)
C110.0251 (18)0.035 (2)0.034 (2)0.0092 (16)0.0058 (16)0.0113 (17)
C120.032 (2)0.035 (2)0.0317 (19)0.0120 (17)0.0017 (16)0.0088 (17)
C130.043 (2)0.038 (2)0.037 (2)0.019 (2)0.0006 (19)0.0129 (18)
C140.061 (3)0.055 (3)0.040 (2)0.033 (3)0.001 (2)0.009 (2)
C150.073 (4)0.108 (6)0.075 (4)0.053 (4)0.012 (3)0.010 (4)
C160.100 (5)0.080 (5)0.073 (4)0.051 (4)0.024 (4)0.020 (3)
C170.032 (2)0.034 (2)0.035 (2)0.0098 (17)0.0086 (17)0.0086 (17)
C180.045 (2)0.041 (2)0.045 (2)0.021 (2)0.000 (2)0.013 (2)
C190.065 (3)0.045 (3)0.084 (4)0.025 (3)0.003 (3)0.007 (3)
C200.049 (3)0.058 (3)0.076 (4)0.029 (3)0.009 (3)0.023 (3)
C210.029 (2)0.038 (2)0.037 (2)0.0116 (17)0.0071 (17)0.0089 (18)
C220.032 (2)0.050 (3)0.050 (2)0.0164 (19)0.0070 (19)0.019 (2)
C230.041 (3)0.107 (5)0.091 (4)0.024 (3)0.009 (3)0.059 (4)
C240.051 (3)0.120 (6)0.117 (5)0.030 (3)0.007 (3)0.083 (5)
Geometric parameters (Å, º) top
Gd—O12.415 (3)C7—C81.398 (7)
Gd—O22.505 (3)C7—C111.419 (6)
Gd—O32.456 (3)C8—C91.344 (7)
Gd—O42.343 (3)C8—H80.9300
Gd—O4i2.644 (3)C9—C101.399 (7)
Gd—O52.377 (3)C9—H90.9300
Gd—O62.387 (3)C10—H100.9300
Gd—N12.573 (3)C11—C121.433 (6)
Gd—N22.610 (3)C13—C141.503 (6)
Gd—Gdi3.9574 (11)C14—C151.375 (8)
O1—C131.259 (5)C14—C161.413 (8)
O2—C131.257 (5)C15—H15A0.9300
O3—C171.247 (5)C15—H15B0.9300
O4—C17i1.268 (5)C16—H16A0.9600
O4—Gdi2.644 (3)C16—H16B0.9600
O5—C211.260 (5)C16—H16C0.9600
O6—C21i1.260 (5)C17—O4i1.268 (5)
O7—H710.87 (8)C17—C181.489 (6)
O7—H720.865 (17)C18—C201.326 (7)
N1—C11.320 (6)C18—C191.496 (7)
N1—C121.360 (5)C19—H19A0.9600
N2—C101.323 (5)C19—H19B0.9600
N2—C111.354 (5)C19—H19C0.9600
C1—C21.400 (6)C20—H20A0.9300
C1—H10.9300C20—H20B0.9300
C2—C31.352 (7)C21—O6i1.260 (5)
C2—H20.9300C21—C221.503 (5)
C3—C41.397 (7)C22—C231.321 (7)
C3—H30.9300C22—C241.469 (7)
C4—C121.414 (6)C23—H23A0.9300
C4—C51.442 (7)C23—H23B0.9300
C5—C61.335 (7)C24—H24A0.9600
C5—H50.9300C24—H24B0.9600
C6—C71.440 (7)C24—H24C0.9600
C6—H60.9300
O1—Gd—O252.79 (10)C12—C4—C5118.7 (4)
O1—Gd—O3140.15 (10)C6—C5—C4121.3 (5)
O1—Gd—O490.63 (11)C6—C5—H5119.4
O1—Gd—O4i159.53 (10)C4—C5—H5119.4
O1—Gd—O588.41 (11)C5—C6—C7121.7 (5)
O1—Gd—O6126.20 (11)C5—C6—H6119.2
O1—Gd—N184.04 (11)C7—C6—H6119.2
O1—Gd—N269.45 (11)C8—C7—C11117.8 (4)
O2—Gd—O3142.66 (10)C8—C7—C6123.7 (4)
O2—Gd—O476.87 (10)C11—C7—C6118.5 (4)
O2—Gd—O4i134.22 (9)C9—C8—C7119.2 (4)
O2—Gd—O5130.06 (10)C9—C8—H8120.4
O2—Gd—O673.54 (10)C7—C8—H8120.4
O2—Gd—N173.86 (10)C8—C9—C10119.8 (5)
O2—Gd—N2109.78 (10)C8—C9—H9120.1
O3—Gd—O4125.45 (10)C10—C9—H9120.1
O3—Gd—O4i50.44 (9)N2—C10—C9123.3 (4)
O3—Gd—O587.10 (11)N2—C10—H10118.3
O3—Gd—O681.26 (10)C9—C10—H10118.3
O3—Gd—N174.03 (10)N2—C11—C7122.2 (4)
O3—Gd—N270.99 (10)N2—C11—C12118.1 (3)
O4—Gd—O4i75.10 (10)C7—C11—C12119.7 (4)
O4—Gd—O573.13 (10)N1—C12—C4122.2 (4)
O4—Gd—O679.69 (10)N1—C12—C11117.9 (3)
O4—Gd—N1146.80 (11)C4—C12—C11119.8 (4)
O4—Gd—N2144.12 (10)O2—C13—O1120.8 (4)
O5—Gd—O4i73.58 (9)O2—C13—C14119.5 (4)
O5—Gd—O6136.08 (9)O1—C13—C14119.7 (4)
O5—Gd—N1139.09 (11)C15—C14—C16124.3 (5)
O5—Gd—N276.67 (10)C15—C14—C13118.1 (5)
O6—Gd—O4i66.38 (9)C16—C14—C13117.6 (5)
O6—Gd—N177.31 (10)C14—C15—H15A120.0
O6—Gd—N2136.17 (10)C14—C15—H15B120.0
N1—Gd—N263.01 (11)H15A—C15—H15B120.0
N1—Gd—O4i115.92 (9)C14—C16—H16A109.5
N2—Gd—O4i114.21 (10)C14—C16—H16B109.5
O4—Gd—Gdi40.21 (7)H16A—C16—H16B109.5
O5—Gd—Gdi68.86 (7)C14—C16—H16C109.5
O6—Gd—Gdi68.07 (7)H16A—C16—H16C109.5
O1—Gd—Gdi129.23 (8)H16B—C16—H16C109.5
O3—Gd—Gdi85.29 (7)O3—C17—O4i120.2 (4)
O2—Gd—Gdi109.36 (7)O3—C17—C18119.9 (4)
N1—Gd—Gdi141.94 (8)O4i—C17—C18119.9 (4)
N2—Gd—Gdi138.90 (8)C20—C18—C17118.9 (4)
O4i—Gd—Gdi34.89 (6)C20—C18—C19123.9 (5)
C13—O1—Gd95.3 (2)C17—C18—C19117.0 (4)
C13—O2—Gd91.1 (3)C18—C19—H19A109.5
C17—O3—Gd98.5 (2)C18—C19—H19B109.5
C17i—O4—Gd165.5 (3)H19A—C19—H19B109.5
C17i—O4—Gdi89.1 (2)C18—C19—H19C109.5
Gd—O4—Gdi104.90 (10)H19A—C19—H19C109.5
C21—O5—Gd134.5 (3)H19B—C19—H19C109.5
C21i—O6—Gd138.1 (3)C18—C20—H20A120.0
H71—O7—H72106 (8)C18—C20—H20B120.0
C1—N1—C12117.8 (4)H20A—C20—H20B120.0
C1—N1—Gd121.8 (3)O5—C21—O6i125.0 (4)
C12—N1—Gd119.8 (3)O5—C21—C22118.8 (3)
C10—N2—C11117.5 (4)O6i—C21—C22116.2 (3)
C10—N2—Gd123.5 (3)C23—C22—C24122.5 (4)
C11—N2—Gd118.9 (3)C23—C22—C21119.8 (4)
N1—C1—C2123.4 (5)C24—C22—C21117.7 (4)
N1—C1—H1118.3C22—C23—H23A120.0
C2—C1—H1118.3C22—C23—H23B120.0
C3—C2—C1119.1 (5)H23A—C23—H23B120.0
C3—C2—H2120.4C22—C24—H24A109.5
C1—C2—H2120.4C22—C24—H24B109.5
C2—C3—C4119.8 (4)H24A—C24—H24B109.5
C2—C3—H3120.1C22—C24—H24C109.5
C4—C3—H3120.1H24A—C24—H24C109.5
C3—C4—C12117.6 (4)H24B—C24—H24C109.5
C3—C4—C5123.7 (4)
O4—Gd—O1—C1373.0 (3)O4i—Gd—N1—C1292.4 (3)
O5—Gd—O1—C13146.1 (3)Gdi—Gd—N1—C12123.3 (3)
O6—Gd—O1—C134.7 (3)O4—Gd—N2—C1017.9 (4)
O3—Gd—O1—C13130.4 (3)O5—Gd—N2—C1015.3 (3)
O2—Gd—O1—C130.0 (2)O6—Gd—N2—C10160.6 (3)
N1—Gd—O1—C1374.2 (3)O1—Gd—N2—C1078.0 (3)
N2—Gd—O1—C13137.6 (3)O3—Gd—N2—C10106.9 (4)
O4i—Gd—O1—C13118.1 (3)O2—Gd—N2—C10112.8 (3)
Gdi—Gd—O1—C1385.3 (3)N1—Gd—N2—C10171.8 (4)
O4—Gd—O2—C13101.1 (2)O4i—Gd—N2—C1080.2 (4)
O5—Gd—O2—C1346.9 (3)Gdi—Gd—N2—C1048.7 (4)
O6—Gd—O2—C13176.0 (3)O4—Gd—N2—C11165.2 (2)
O1—Gd—O2—C130.0 (2)O5—Gd—N2—C11161.6 (3)
O3—Gd—O2—C13126.4 (2)O6—Gd—N2—C1116.3 (3)
N1—Gd—O2—C1394.8 (3)O1—Gd—N2—C11105.1 (3)
N2—Gd—O2—C1342.1 (3)O3—Gd—N2—C1170.1 (3)
O4i—Gd—O2—C13154.5 (2)O2—Gd—N2—C1170.3 (3)
Gdi—Gd—O2—C13125.1 (2)N1—Gd—N2—C1111.3 (3)
O4—Gd—O3—C1711.8 (3)O4i—Gd—N2—C1196.7 (3)
O5—Gd—O3—C1778.7 (2)Gdi—Gd—N2—C11128.2 (2)
O6—Gd—O3—C1758.8 (2)C12—N1—C1—C20.9 (7)
O1—Gd—O3—C17162.7 (2)Gd—N1—C1—C2171.0 (4)
O2—Gd—O3—C17106.4 (3)N1—C1—C2—C31.6 (8)
N1—Gd—O3—C17138.0 (3)C1—C2—C3—C42.4 (7)
N2—Gd—O3—C17155.6 (3)C2—C3—C4—C120.9 (7)
O4i—Gd—O3—C177.7 (2)C2—C3—C4—C5178.0 (5)
Gdi—Gd—O3—C179.7 (2)C3—C4—C5—C6172.8 (5)
O5—Gd—O4—C17i86.9 (11)C12—C4—C5—C66.2 (7)
O6—Gd—O4—C17i128.0 (11)C4—C5—C6—C72.3 (8)
O1—Gd—O4—C17i1.2 (11)C5—C6—C7—C8175.6 (5)
O3—Gd—O4—C17i160.6 (10)C5—C6—C7—C113.4 (7)
O2—Gd—O4—C17i52.6 (11)C11—C7—C8—C90.2 (7)
N1—Gd—O4—C17i81.3 (11)C6—C7—C8—C9178.9 (5)
N2—Gd—O4—C17i53.1 (11)C7—C8—C9—C103.7 (7)
O4i—Gd—O4—C17i163.9 (11)C11—N2—C10—C90.7 (7)
Gdi—Gd—O4—C17i163.9 (11)Gd—N2—C10—C9176.3 (4)
O5—Gd—O4—Gdi77.00 (11)C8—C9—C10—N23.5 (8)
O6—Gd—O4—Gdi68.10 (11)C10—N2—C11—C74.4 (6)
O1—Gd—O4—Gdi165.15 (11)Gd—N2—C11—C7172.7 (3)
O3—Gd—O4—Gdi3.30 (16)C10—N2—C11—C12173.5 (4)
O2—Gd—O4—Gdi143.43 (12)Gd—N2—C11—C129.3 (4)
N1—Gd—O4—Gdi114.81 (17)C8—C7—C11—N24.1 (6)
N2—Gd—O4—Gdi110.87 (16)C6—C7—C11—N2176.8 (4)
O4i—Gd—O4—Gdi0.0C8—C7—C11—C12173.9 (4)
O4—Gd—O5—C2117.7 (4)C6—C7—C11—C125.2 (6)
O6—Gd—O5—C2136.6 (4)C1—N1—C12—C42.5 (6)
O1—Gd—O5—C21108.8 (4)Gd—N1—C12—C4169.6 (3)
O3—Gd—O5—C21110.8 (4)C1—N1—C12—C11174.0 (4)
O2—Gd—O5—C2173.3 (4)Gd—N1—C12—C1114.0 (5)
N1—Gd—O5—C21172.2 (3)C3—C4—C12—N11.6 (6)
N2—Gd—O5—C21178.0 (4)C5—C4—C12—N1179.4 (4)
O4i—Gd—O5—C2161.4 (4)C3—C4—C12—C11174.8 (4)
Gdi—Gd—O5—C2124.8 (4)C5—C4—C12—C114.2 (6)
O4—Gd—O6—C21i36.9 (4)N2—C11—C12—N12.9 (5)
O5—Gd—O6—C21i15.3 (5)C7—C11—C12—N1175.2 (4)
O1—Gd—O6—C21i120.0 (4)N2—C11—C12—C4179.4 (4)
O3—Gd—O6—C21i91.8 (4)C7—C11—C12—C41.4 (6)
O2—Gd—O6—C21i116.1 (4)Gd—O2—C13—O10.1 (4)
N1—Gd—O6—C21i167.2 (4)Gd—O2—C13—C14180.0 (4)
N2—Gd—O6—C21i142.3 (4)Gd—O1—C13—O20.1 (4)
O4i—Gd—O6—C21i41.3 (4)Gd—O1—C13—C14180.0 (3)
Gdi—Gd—O6—C21i3.4 (4)O2—C13—C14—C15163.5 (5)
O4—Gd—N1—C123.4 (4)O1—C13—C14—C1516.6 (7)
O5—Gd—N1—C1174.0 (3)O2—C13—C14—C1616.0 (7)
O6—Gd—N1—C123.8 (3)O1—C13—C14—C16163.9 (5)
O1—Gd—N1—C1105.4 (3)Gd—O3—C17—O4i14.4 (4)
O3—Gd—N1—C1108.2 (3)Gd—O3—C17—C18163.1 (3)
O2—Gd—N1—C152.5 (3)O3—C17—C18—C20143.1 (5)
N2—Gd—N1—C1175.4 (4)O4i—C17—C18—C2034.4 (6)
O4i—Gd—N1—C179.3 (3)O3—C17—C18—C1933.1 (6)
Gdi—Gd—N1—C148.5 (4)O4i—C17—C18—C19149.4 (4)
O4—Gd—N1—C12164.8 (2)Gd—O5—C21—O6i32.8 (6)
O5—Gd—N1—C122.2 (4)Gd—O5—C21—C22148.1 (3)
O6—Gd—N1—C12148.0 (3)O5—C21—C22—C237.7 (7)
O1—Gd—N1—C1282.8 (3)O6i—C21—C22—C23171.5 (5)
O3—Gd—N1—C1263.5 (3)O5—C21—C22—C24171.9 (5)
O2—Gd—N1—C12135.8 (3)O6i—C21—C22—C248.9 (7)
N2—Gd—N1—C1212.9 (3)
Symmetry code: (i) x+1, y+1, z+1.
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
O7—H72···O40.87 (2)2.44 (6)3.084 (6)132 (7)
O7—H71···O20.87 (8)2.01 (8)2.838 (6)161 (8)
 

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