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Acta Crystallogr Sect E Struct Rep Online. 2008 June 1; 64(Pt 6): m766–m767.
Published online 2008 May 3. doi:  10.1107/S1600536808012270
PMCID: PMC2961497

Poly[[μ3-3-(3-pyrid­yl)acrylato-κ3 N:O:O′][μ2-3-(3-pyrid­yl)acrylato-κ3 O,O′:O][μ2-3-(3-pyrid­yl)acrylato-κ2 O:O′)]gadolinium(III)]

Abstract

In the title compound, [Gd(C8H6NO2)3]n, the GdIII ion is in a bicapped trigonal prismatic coordination environment formed by seven O atoms and one N atom, derived from seven different 3-(3-pyrid­yl)acrylate (3-PYA) ligands. GdIII ions are bridged by bidentate and tridentate 3-PYA ligands, resulting in a two-dimensional structure.

Related literature

For related literature, see: Ayyappan et al. (2001 [triangle]); Gunning & Cahill (2005 [triangle]); Zhang et al. (2000 [triangle]) Liu et al. (2006 [triangle]); Liu et al. (2004 [triangle]); Zhou et al. (2004 [triangle]); Li et al. (2007 [triangle]). For related structures, see: Zhou et al., (2003 [triangle]).

An external file that holds a picture, illustration, etc.
Object name is e-64-0m766-scheme1.jpg

Experimental

Crystal data

  • [Gd(C8H6NO2)3]
  • M r = 601.66
  • Monoclinic, An external file that holds a picture, illustration, etc.
Object name is e-64-0m766-efi1.jpg
  • a = 7.7197 (17) Å
  • b = 25.646 (6) Å
  • c = 11.445 (2) Å
  • β = 95.684 (3)°
  • V = 2254.8 (8) Å3
  • Z = 4
  • Mo Kα radiation
  • μ = 2.99 mm−1
  • T = 294 (2) K
  • 0.24 × 0.20 × 0.18 mm

Data collection

  • Bruker SMART CCD diffractometer
  • Absorption correction: multi-scan (SADABS; Bruker, 1998 [triangle]) T min = 0.534, T max = 0.615 (expected range = 0.507–0.584)
  • 12572 measured reflections
  • 4654 independent reflections
  • 3517 reflections with I > 2σ(I)
  • R int = 0.048

Refinement

  • R[F 2 > 2σ(F 2)] = 0.037
  • wR(F 2) = 0.090
  • S = 1.05
  • 4654 reflections
  • 307 parameters
  • H-atom parameters constrained
  • Δρmax = 2.06 e Å−3
  • Δρmin = −1.17 e Å−3

Data collection: SMART (Bruker, 1998 [triangle]); cell refinement: SAINT (Bruker, 1998 [triangle]); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008 [triangle]); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008 [triangle]); molecular graphics: SHELXTL (Sheldrick, 2008 [triangle]); software used to prepare material for publication: SHELXTL.

Table 1
Selected bond lengths (Å)

Supplementary Material

Crystal structure: contains datablocks I, global. DOI: 10.1107/S1600536808012270/lh2617sup1.cif

Structure factors: contains datablocks I. DOI: 10.1107/S1600536808012270/lh2617Isup2.hkl

Additional supplementary materials: crystallographic information; 3D view; checkCIF report

Acknowledgments

This work was supported by the Natural Science Foundation of Guangxi (GKJ0639031), People’s Republic of China.

supplementary crystallographic information

Comment

The bifunctional compound 3-pyridylacrylic acid (3-HPYA) is a potential multidentate ligand, and several types of complexes formed with 3-HPYA have been studied (Ayyappan et al., 2001; Gunning & Cahill, 2005; Zhang et al., 2000). Until now, however, only a few crystallographic studies of 4f-block metal complexes of HPYA have been reported (Liu et al.,2006; Liu et al.,2004; Zhou et al.,2004; Zhou et al.,2003; Li et al., 2007).

Here, we report the synthesis and structure of the title complex, [Gd(TPA)3]n (I) (Fig.1). The GdIII ion is eight-coordinated by seven O atoms and one N atom derived from seven different 3-PYA ligands. The topology of (I) is a two-dimensional structure mediated by bridging 3-PYA ligands. Symmetry-related GdIII centres are bridged by two bidentate and two tridentate 3-PYA ligands, which results in the formation of a one-dimensional chain along a axis (Fig.2). Different chains are connected by tridentate 3-PYA ligands, which results in the formation of a two-dimensional framework parallel to (100) (Fig.3). Gd—O distances are in the range 2.305 (3) to 2.546 (3) Å, and the Gd—N distance is 2.628 (4) Å.

Experimental

A mixture of Gd2O3(0.5 mmol), 3-pyridylacrylic acid (2.0 mmol), H2O(14 ml) was sealed in a 25 ml Teflon-lined stainless reactor and heated at 468 K for six days under autogenous pressure, then followed by slow cooling to room temperature, when a few colourless crystals were obtained. Analysis:found C 47.41,H 3.08,N 7.03%; C24H20GdN3O7 requires C 47.45,H 2.97,N 6.92%.

Refinement

H atoms bonded were placed at calulated posotions and treated using a riding-model approximation [C—H = 0.93Å and Uiso(H)= 1.2Ueq(C)].

Figures

Fig. 1.
A portion of the structure of (I) showing the coordination environment of the GdIII ion, with displacement ellipsoids at the 30% probability level. All H atoms are omitted for clarity. [Symmetry codes:(a)-x,1 - y,-z;(b)-x,1 - y,1 - z;(c)1 - x,1 - y,1 ...
Fig. 2.
Part of a chain structure of (I), along the a axis. All H atoms are omitted.
Fig. 3.
The two-dimensional structure of (I) parallel to (100), All H atoms have been omitted for clearity.

Crystal data

[Gd(C8H6NO2)3]F000 = 1180
Mr = 601.66Dx = 1.772 Mg m3
Monoclinic, P21/cMo Kα radiation λ = 0.71073 Å
Hall symbol: -P 2ybcCell parameters from 5417 reflections
a = 7.7197 (17) Åθ = 2.7–26.5º
b = 25.646 (6) ŵ = 2.99 mm1
c = 11.445 (2) ÅT = 294 (2) K
β = 95.684 (3)ºBlock, colourless
V = 2254.8 (8) Å30.24 × 0.20 × 0.18 mm
Z = 4

Data collection

Bruker SMART CCD diffractometer4654 independent reflections
Radiation source: fine-focus sealed tube3517 reflections with I > 2σ(I)
Monochromator: graphiteRint = 0.048
T = 294(2) Kθmax = 26.6º
[var phi] and ω scansθmin = 1.6º
Absorption correction: multi-scan(SADABS; Bruker, 1998)h = −9→9
Tmin = 0.534, Tmax = 0.615k = −30→32
12572 measured reflectionsl = −14→7

Refinement

Refinement on F2Secondary atom site location: difference Fourier map
Least-squares matrix: fullHydrogen site location: inferred from neighbouring sites
R[F2 > 2σ(F2)] = 0.037H-atom parameters constrained
wR(F2) = 0.090  w = 1/[σ2(Fo2) + (0.0357P)2 + 2.29P] where P = (Fo2 + 2Fc2)/3
S = 1.06(Δ/σ)max = 0.001
4654 reflectionsΔρmax = 2.06 e Å3
307 parametersΔρmin = −1.16 e Å3
Primary atom site location: structure-invariant direct methodsExtinction correction: none

Special details

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)

xyzUiso*/Ueq
Gd10.75345 (2)0.501980 (8)0.574129 (16)0.01502 (9)
O10.9665 (4)0.52846 (14)0.7208 (3)0.0273 (7)
O21.1908 (5)0.52067 (14)0.6134 (3)0.0311 (8)
O30.8511 (4)0.58040 (13)0.4964 (3)0.0306 (8)
O41.0842 (4)0.57303 (13)0.3946 (3)0.0302 (8)
O50.6072 (4)0.57155 (13)0.6716 (3)0.0262 (7)
O60.4848 (4)0.55290 (13)0.4935 (2)0.0236 (7)
N11.3676 (5)0.53963 (15)1.2405 (3)0.0240 (9)
C50.5075 (6)0.58425 (18)0.5821 (4)0.0219 (10)
C60.9606 (6)0.59796 (18)0.4321 (4)0.0236 (10)
C71.2073 (6)0.5432 (2)0.9203 (4)0.0275 (11)
H71.09100.53640.92920.033*
C90.3667 (7)0.72221 (19)0.6627 (4)0.0298 (11)
C100.8451 (7)0.6892 (2)0.4348 (4)0.0330 (12)
H100.76590.67810.48570.040*
C110.4341 (7)0.6688 (2)0.6617 (4)0.0314 (12)
H110.49390.65700.73120.038*
C121.2511 (6)0.54388 (19)0.8113 (4)0.0245 (10)
H121.36400.55340.79860.029*
C131.3224 (6)0.55200 (19)1.0284 (4)0.0248 (10)
C140.7726 (8)0.7816 (2)0.4738 (6)0.0453 (15)
H140.72200.76950.53900.054*
C151.5195 (6)0.5655 (2)1.2392 (4)0.0288 (11)
H151.58740.57031.31010.035*
N20.3364 (7)0.80038 (19)0.7784 (4)0.0468 (13)
C170.9503 (7)0.6539 (2)0.3963 (5)0.0347 (13)
H171.02460.66490.34200.042*
C180.4192 (6)0.6355 (2)0.5732 (4)0.0290 (11)
H180.35210.64440.50410.035*
C200.2839 (7)0.7472 (2)0.5650 (4)0.0370 (13)
H200.26520.72980.49370.044*
C210.8437 (7)0.7449 (2)0.4033 (5)0.0332 (12)
C220.2294 (8)0.7983 (2)0.5747 (5)0.0447 (15)
H220.17330.81550.51020.054*
C231.4821 (6)0.5782 (2)1.0315 (4)0.0309 (12)
H231.52170.59070.96270.037*
N30.7710 (7)0.8333 (2)0.4554 (5)0.0582 (15)
C250.3879 (8)0.7510 (2)0.7660 (5)0.0425 (14)
H250.44250.73450.83210.051*
C260.8422 (8)0.8500 (2)0.3614 (6)0.0539 (17)
H260.84220.88560.34650.065*
C271.5802 (6)0.5853 (2)1.1382 (4)0.0326 (12)
H271.68550.60311.14210.039*
C280.9162 (8)0.7645 (2)0.3054 (5)0.0429 (14)
H280.96450.74180.25420.052*
C290.9163 (9)0.8174 (2)0.2846 (6)0.0515 (16)
H290.96530.83080.22000.062*
C300.2599 (8)0.8233 (2)0.6821 (5)0.0441 (15)
H300.22530.85780.68730.053*
C331.1260 (6)0.52998 (18)0.7078 (4)0.0203 (9)
C341.2735 (6)0.53395 (19)1.1353 (4)0.0272 (11)
H341.16760.51661.13400.033*

Atomic displacement parameters (Å2)

U11U22U33U12U13U23
Gd10.01666 (12)0.01601 (13)0.01255 (12)−0.00038 (9)0.00230 (8)−0.00069 (9)
O10.0229 (17)0.036 (2)0.0223 (17)−0.0025 (15)−0.0008 (14)−0.0003 (14)
O20.038 (2)0.036 (2)0.0197 (17)−0.0029 (16)0.0062 (15)−0.0066 (15)
O30.0317 (19)0.0241 (19)0.038 (2)−0.0019 (15)0.0136 (16)0.0060 (15)
O40.0315 (19)0.0218 (18)0.038 (2)0.0080 (15)0.0080 (16)0.0036 (15)
O50.0279 (18)0.0274 (19)0.0230 (17)0.0059 (14)0.0011 (14)−0.0011 (14)
O60.0245 (17)0.0224 (17)0.0241 (17)−0.0025 (13)0.0027 (14)−0.0061 (13)
N10.026 (2)0.024 (2)0.021 (2)−0.0016 (17)−0.0005 (16)0.0013 (16)
C50.022 (2)0.021 (2)0.022 (2)−0.0032 (19)0.0024 (19)0.0027 (19)
C60.028 (3)0.019 (2)0.023 (2)−0.0021 (19)0.000 (2)0.0005 (18)
C70.026 (2)0.036 (3)0.020 (2)−0.011 (2)−0.0020 (19)−0.001 (2)
C90.035 (3)0.027 (3)0.028 (3)0.003 (2)0.005 (2)−0.007 (2)
C100.036 (3)0.027 (3)0.037 (3)0.003 (2)0.009 (2)0.004 (2)
C110.037 (3)0.031 (3)0.025 (3)0.007 (2)0.001 (2)0.000 (2)
C120.023 (2)0.032 (3)0.019 (2)−0.007 (2)0.0044 (19)−0.0048 (19)
C130.029 (3)0.026 (3)0.020 (2)−0.005 (2)0.003 (2)−0.0030 (19)
C140.047 (4)0.036 (3)0.054 (4)0.012 (3)0.008 (3)0.004 (3)
C150.030 (3)0.032 (3)0.023 (3)0.000 (2)−0.004 (2)0.003 (2)
N20.064 (3)0.033 (3)0.043 (3)0.007 (2)0.003 (3)−0.012 (2)
C170.033 (3)0.029 (3)0.046 (3)0.007 (2)0.017 (2)0.013 (2)
C180.030 (3)0.027 (3)0.029 (3)0.003 (2)0.000 (2)−0.004 (2)
C200.048 (3)0.029 (3)0.033 (3)0.004 (2)−0.001 (3)−0.003 (2)
C210.037 (3)0.026 (3)0.036 (3)0.006 (2)0.003 (2)0.004 (2)
C220.059 (4)0.026 (3)0.048 (4)0.007 (3)0.002 (3)0.004 (3)
C230.032 (3)0.038 (3)0.024 (2)−0.011 (2)0.004 (2)0.003 (2)
N30.068 (4)0.026 (3)0.081 (4)0.013 (3)0.009 (3)−0.004 (3)
C250.053 (4)0.036 (3)0.036 (3)0.013 (3)−0.004 (3)−0.005 (2)
C260.059 (4)0.024 (3)0.075 (5)0.007 (3)−0.014 (4)0.008 (3)
C270.028 (3)0.040 (3)0.030 (3)−0.011 (2)0.000 (2)0.003 (2)
C280.057 (4)0.032 (3)0.041 (3)0.008 (3)0.013 (3)0.006 (2)
C290.065 (4)0.033 (3)0.057 (4)0.005 (3)0.008 (3)0.016 (3)
C300.052 (4)0.023 (3)0.059 (4)0.004 (3)0.013 (3)0.000 (3)
C330.024 (2)0.021 (2)0.016 (2)−0.0032 (19)0.0031 (18)−0.0010 (17)
C340.028 (3)0.030 (3)0.023 (2)−0.011 (2)0.000 (2)−0.002 (2)

Geometric parameters (Å, °)

Gd1—O4i2.305 (3)C11—C181.321 (6)
Gd1—O2i2.305 (3)C11—H110.9300
Gd1—O12.332 (3)C12—C331.495 (6)
Gd1—O32.353 (3)C12—H120.9300
Gd1—O6ii2.383 (3)C13—C341.394 (6)
Gd1—O52.440 (3)C13—C231.401 (6)
Gd1—O62.546 (3)C14—N31.343 (8)
Gd1—N1iii2.628 (4)C14—C211.389 (8)
Gd1—C52.846 (5)C14—H140.9300
O1—C331.255 (5)C15—C271.385 (7)
O2—C331.257 (5)C15—H150.9300
O2—Gd1i2.305 (3)N2—C301.333 (7)
O3—C61.258 (5)N2—C251.340 (7)
O4—C61.259 (6)C17—H170.9300
O4—Gd1i2.305 (3)C18—H180.9300
O5—C51.262 (5)C20—C221.383 (8)
O6—C51.293 (5)C20—H200.9300
O6—Gd1ii2.383 (3)C21—C281.395 (7)
N1—C151.348 (6)C22—C301.386 (8)
N1—C341.351 (6)C22—H220.9300
N1—Gd1iii2.628 (4)C23—C271.383 (7)
C5—C181.479 (7)C23—H230.9300
C6—C171.492 (7)N3—C261.326 (8)
C7—C121.325 (6)C25—H250.9300
C7—C131.468 (6)C26—C291.378 (9)
C7—H70.9300C26—H260.9300
C9—C201.388 (7)C27—H270.9300
C9—C251.389 (7)C28—C291.377 (8)
C9—C111.466 (7)C28—H280.9300
C10—C171.321 (7)C29—H290.9300
C10—C211.472 (7)C30—H300.9300
C10—H100.9300C34—H340.9300
O4i—Gd1—O2i77.61 (12)C17—C10—C21124.9 (5)
O4i—Gd1—O178.31 (12)C17—C10—H10117.5
O2i—Gd1—O1124.09 (12)C21—C10—H10117.5
O4i—Gd1—O3125.63 (12)C18—C11—C9127.3 (5)
O2i—Gd1—O376.54 (12)C18—C11—H11116.3
O1—Gd1—O378.10 (12)C9—C11—H11116.3
O4i—Gd1—O6ii87.00 (12)C7—C12—C33122.5 (4)
O2i—Gd1—O6ii76.00 (11)C7—C12—H12118.7
O1—Gd1—O6ii150.72 (11)C33—C12—H12118.7
O3—Gd1—O6ii130.38 (11)C34—C13—C23116.8 (4)
O4i—Gd1—O5143.96 (11)C34—C13—C7119.6 (4)
O2i—Gd1—O5138.40 (12)C23—C13—C7123.6 (4)
O1—Gd1—O577.47 (11)N3—C14—C21125.3 (6)
O3—Gd1—O574.21 (11)N3—C14—H14117.4
O6ii—Gd1—O5101.73 (11)C21—C14—H14117.4
O4i—Gd1—O6153.58 (11)N1—C15—C27123.7 (4)
O2i—Gd1—O690.69 (11)N1—C15—H15118.1
O1—Gd1—O6127.08 (11)C27—C15—H15118.1
O3—Gd1—O672.81 (11)C30—N2—C25116.1 (5)
O6ii—Gd1—O667.07 (13)C10—C17—C6125.8 (5)
O5—Gd1—O652.66 (10)C10—C17—H17117.1
O4i—Gd1—N1iii76.53 (12)C6—C17—H17117.1
O2i—Gd1—N1iii139.77 (13)C11—C18—C5121.1 (5)
O1—Gd1—N1iii79.57 (11)C11—C18—H18119.4
O3—Gd1—N1iii143.62 (12)C5—C18—H18119.4
O6ii—Gd1—N1iii72.39 (11)C22—C20—C9119.5 (5)
O5—Gd1—N1iii73.15 (11)C22—C20—H20120.2
O6—Gd1—N1iii99.15 (11)C9—C20—H20120.2
O4i—Gd1—C5165.50 (12)C14—C21—C28115.8 (5)
O2i—Gd1—C5113.80 (13)C14—C21—C10120.6 (5)
O1—Gd1—C5100.73 (12)C28—C21—C10123.6 (5)
O3—Gd1—C567.56 (12)C20—C22—C30118.8 (5)
O6ii—Gd1—C587.27 (12)C20—C22—H22120.6
O5—Gd1—C526.20 (11)C30—C22—H22120.6
O6—Gd1—C527.02 (11)C27—C23—C13119.2 (4)
N1iii—Gd1—C589.04 (12)C27—C23—H23120.4
C33—O1—Gd1123.6 (3)C13—C23—H23120.4
C33—O2—Gd1i167.0 (3)C26—N3—C14116.5 (5)
C6—O3—Gd1141.8 (3)N2—C25—C9125.5 (5)
C6—O4—Gd1i142.2 (3)N2—C25—H25117.2
C5—O5—Gd195.2 (3)C9—C25—H25117.2
C5—O6—Gd1ii131.5 (3)N3—C26—C29123.7 (6)
C5—O6—Gd189.5 (3)N3—C26—H26118.2
Gd1ii—O6—Gd1112.93 (13)C29—C26—H26118.2
C15—N1—C34115.8 (4)C23—C27—C15119.2 (5)
C15—N1—Gd1iii126.0 (3)C23—C27—H27120.4
C34—N1—Gd1iii118.2 (3)C15—C27—H27120.4
O5—C5—O6120.1 (4)C29—C28—C21120.1 (6)
O5—C5—C18121.7 (4)C29—C28—H28119.9
O6—C5—C18118.2 (4)C21—C28—H28119.9
O5—C5—Gd158.6 (2)C26—C29—C28118.7 (6)
O6—C5—Gd163.4 (2)C26—C29—H29120.7
C18—C5—Gd1163.9 (3)C28—C29—H29120.7
O3—C6—O4126.4 (4)N2—C30—C22123.5 (5)
O3—C6—C17119.0 (4)N2—C30—H30118.3
O4—C6—C17114.6 (4)C22—C30—H30118.3
C12—C7—C13127.0 (5)O1—C33—O2125.1 (4)
C12—C7—H7116.5O1—C33—C12118.5 (4)
C13—C7—H7116.5O2—C33—C12116.4 (4)
C20—C9—C25116.5 (5)N1—C34—C13125.3 (4)
C20—C9—C11124.1 (4)N1—C34—H34117.4
C25—C9—C11119.4 (5)C13—C34—H34117.4
O4i—Gd1—O1—C3363.2 (4)O4i—Gd1—C5—C18153.1 (10)
O2i—Gd1—O1—C33−3.0 (4)O2i—Gd1—C5—C18−66.6 (12)
O3—Gd1—O1—C33−67.5 (4)O1—Gd1—C5—C1868.3 (12)
O6ii—Gd1—O1—C33124.6 (3)O3—Gd1—C5—C18−3.9 (11)
O5—Gd1—O1—C33−143.7 (4)O6ii—Gd1—C5—C18−140.0 (12)
O6—Gd1—O1—C33−124.9 (3)O5—Gd1—C5—C1896.1 (12)
N1iii—Gd1—O1—C33141.4 (4)O6—Gd1—C5—C18−100.0 (12)
C5—Gd1—O1—C33−131.6 (4)N1iii—Gd1—C5—C18147.5 (12)
O4i—Gd1—O3—C625.1 (5)Gd1—O3—C6—O4−9.9 (9)
O2i—Gd1—O3—C6−38.6 (5)Gd1—O3—C6—C17171.4 (4)
O1—Gd1—O3—C691.1 (5)Gd1i—O4—C6—O3−16.9 (9)
O6ii—Gd1—O3—C6−96.6 (5)Gd1i—O4—C6—C17161.9 (4)
O5—Gd1—O3—C6171.3 (5)C20—C9—C11—C18−4.1 (9)
O6—Gd1—O3—C6−133.6 (5)C25—C9—C11—C18177.1 (6)
N1iii—Gd1—O3—C6144.4 (5)C13—C7—C12—C33174.8 (5)
C5—Gd1—O3—C6−161.8 (5)C12—C7—C13—C34−159.3 (5)
O4i—Gd1—O5—C5−159.1 (3)C12—C7—C13—C2320.9 (8)
O2i—Gd1—O5—C524.2 (3)C34—N1—C15—C27−0.4 (7)
O1—Gd1—O5—C5152.1 (3)Gd1iii—N1—C15—C27177.8 (4)
O3—Gd1—O5—C571.1 (3)C21—C10—C17—C6176.4 (5)
O6ii—Gd1—O5—C5−57.9 (3)O3—C6—C17—C106.8 (8)
O6—Gd1—O5—C5−9.1 (2)O4—C6—C17—C10−172.1 (5)
N1iii—Gd1—O5—C5−125.2 (3)C9—C11—C18—C5174.6 (5)
O4i—Gd1—O6—C5147.4 (3)O5—C5—C18—C11−3.9 (7)
O2i—Gd1—O6—C5−149.8 (3)O6—C5—C18—C11178.5 (4)
O1—Gd1—O6—C5−14.5 (3)Gd1—C5—C18—C11−89.9 (12)
O3—Gd1—O6—C5−74.2 (2)C25—C9—C20—C220.6 (8)
O6ii—Gd1—O6—C5135.7 (3)C11—C9—C20—C22−178.2 (5)
O5—Gd1—O6—C58.8 (2)N3—C14—C21—C28−0.9 (9)
N1iii—Gd1—O6—C569.3 (3)N3—C14—C21—C10177.3 (6)
O4i—Gd1—O6—Gd1ii11.7 (3)C17—C10—C21—C14−159.1 (6)
O2i—Gd1—O6—Gd1ii74.46 (14)C17—C10—C21—C2818.9 (9)
O1—Gd1—O6—Gd1ii−150.16 (12)C9—C20—C22—C300.3 (9)
O3—Gd1—O6—Gd1ii150.14 (15)C34—C13—C23—C27−0.8 (8)
O6ii—Gd1—O6—Gd1ii0.0C7—C13—C23—C27179.0 (5)
O5—Gd1—O6—Gd1ii−126.89 (17)C21—C14—N3—C260.6 (10)
N1iii—Gd1—O6—Gd1ii−66.37 (14)C30—N2—C25—C9−0.6 (9)
C5—Gd1—O6—Gd1ii−135.7 (3)C20—C9—C25—N2−0.5 (9)
Gd1—O5—C5—O616.6 (4)C11—C9—C25—N2178.4 (6)
Gd1—O5—C5—C18−161.1 (4)C14—N3—C26—C29−0.3 (10)
Gd1ii—O6—C5—O5105.1 (5)C13—C23—C27—C151.1 (8)
Gd1—O6—C5—O5−15.8 (4)N1—C15—C27—C23−0.5 (8)
Gd1ii—O6—C5—C18−77.2 (5)C14—C21—C28—C290.9 (9)
Gd1—O6—C5—C18161.9 (4)C10—C21—C28—C29−177.2 (6)
Gd1ii—O6—C5—Gd1120.9 (3)N3—C26—C29—C280.4 (10)
O4i—Gd1—C5—O557.1 (6)C21—C28—C29—C26−0.6 (10)
O2i—Gd1—C5—O5−162.7 (2)C25—N2—C30—C221.6 (9)
O1—Gd1—C5—O5−27.7 (3)C20—C22—C30—N2−1.5 (9)
O3—Gd1—C5—O5−99.9 (3)Gd1—O1—C33—O24.5 (7)
O6ii—Gd1—C5—O5123.9 (3)Gd1—O1—C33—C12−175.5 (3)
O6—Gd1—C5—O5164.0 (4)Gd1i—O2—C33—O1−7.7 (18)
N1iii—Gd1—C5—O551.5 (3)Gd1i—O2—C33—C12172.4 (12)
O4i—Gd1—C5—O6−106.9 (5)C7—C12—C33—O115.5 (7)
O2i—Gd1—C5—O633.3 (3)C7—C12—C33—O2−164.5 (5)
O1—Gd1—C5—O6168.3 (2)C15—N1—C34—C130.7 (7)
O3—Gd1—C5—O696.1 (2)Gd1iii—N1—C34—C13−177.6 (4)
O6ii—Gd1—C5—O6−40.1 (3)C23—C13—C34—N1−0.1 (8)
O5—Gd1—C5—O6−164.0 (4)C7—C13—C34—N1−179.9 (5)
N1iii—Gd1—C5—O6−112.5 (2)

Symmetry codes: (i) −x+2, −y+1, −z+1; (ii) −x+1, −y+1, −z+1; (iii) −x+2, −y+1, −z+2.

Footnotes

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: LH2617).

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