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Tetra­kis(μ2-2-phen­­oxy­propionato)-κ3O,O′:O′;κ3O:O,O′;κ4O:O′-bis­­[(1,10-phenanthroline-κ2N,N′)(2-phen­­oxy­propionato-κ2O,O′)gadolinium(III)]

aCollege of Chemistry and Life Science, Zhejiang Normal University, Jinhua 321004, Zhejiang, People's Republic of China, and bZhejiang Normal University Xingzhi College, Jinhua, Zhejiang 321004, People's Republic of China
*Correspondence e-mail: sky53@zjnu.cn

(Received 12 August 2011; accepted 5 September 2011; online 14 September 2011)

In the centrosymmetric binuclear title complex, [Gd2(C9H9O3)6(C12H8N2)2], the two Gd(III) ions are linked by four 2-phen­oxy­propionate (L) groups in bi- and tridentate bridging modes. Each GdIII ion is nine-coordinated by one 1,10-phenanthroline mol­ecule, one bidentate chelating carboxyl­ate group and four bridging carboxyl­ate groups in a distorted GdN2O7 monocapped square-anti­prismatic geometry.

Related literature

For background to phen­oxy­alkanoic acids, see: Markus & Buser (1997[Markus, D. M. & Buser, H. R. (1997). Environ. Sci. Technol. 31, 1953-1959.]). For a related Gd complex, see: Yu et al. (2010[Yu, Y.-Y., Liu, J.-F., Li, H.-Q., Wu, X.-Y. & Zhao, G.-L. (2010). J. Chin. Rare Earth Soc. 28, 525-530.]). For isotypic structures, see: Shen et al. (2011a[Shen, J.-B., Liu, J.-L. & Zhao, G.-L. (2011a). Acta Cryst. E67, m1234.]) for Tb; Shen et al. (2011b[Shen, J.-B., Liu, J.-L. & Zhao, G.-L. (2011b). Acta Cryst. E67, m1321.]) for Pr; Shen et al. (2011c[Shen, J.-B., Liu, J.-L. & Zhao, G.-L. (2011c). Acta Cryst. E67, m1320.]) for Dy; Shen et al. (2011d[Shen, J.-B., Liu, J.-L. & Zhao, G.-L. (2011d). Acta Cryst. E67, m1359-m1360.]) for Ce; Shen et al. (2011e[Shen, J.-B., Liu, J.-L. & Zhao, G.-L. (2011e). Acta Cryst. E67, submitted.]) for Ho; Shen et al. (2011f[Shen, J.-B., Liu, J.-L. & Zhao, G.-L. (2011f). Acta Cryst. E67, m1358.]) for La.

[Scheme 1]

Experimental

Crystal data
  • [Gd2(C9H9O3)6(C12H8N2)2]

  • Mr = 1665.88

  • Monoclinic, P 21 /c

  • a = 11.4876 (2) Å

  • b = 25.8305 (4) Å

  • c = 13.8715 (2) Å

  • β = 120.554 (1)°

  • V = 3544.58 (10) Å3

  • Z = 2

  • Mo Kα radiation

  • μ = 1.93 mm−1

  • T = 296 K

  • 0.49 × 0.24 × 0.16 mm

Data collection
  • Bruker APEXII CCD diffractometer

  • Absorption correction: multi-scan (SADABS; Sheldrick, 1996[Sheldrick, G. M. (1996). SADABS. University of Göttingen, Germany.]) Tmin = 0.585, Tmax = 0.741

  • 47235 measured reflections

  • 6250 independent reflections

  • 5788 reflections with I > 2σ(I)

  • Rint = 0.022

Refinement
  • R[F2 > 2σ(F2)] = 0.021

  • wR(F2) = 0.043

  • S = 1.15

  • 6250 reflections

  • 463 parameters

  • H-atom parameters constrained

  • Δρmax = 0.72 e Å−3

  • Δρmin = −0.37 e Å−3

Table 1
Selected bond lengths (Å)

Gd1—O7i 2.3528 (14)
Gd1—O4 2.3624 (15)
Gd1—O5i 2.3991 (15)
Gd1—O2 2.4443 (16)
Gd1—O8 2.4742 (15)
Gd1—O1 2.4826 (15)
Gd1—N2 2.5496 (18)
Gd1—N1 2.6184 (18)
Gd1—O7 2.6270 (15)
Symmetry code: (i) -x, -y, -z+1.

Data collection: APEX2 (Bruker, 2006[Bruker (2006). APEX2 and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.]); cell refinement: SAINT (Bruker, 2006[Bruker (2006). APEX2 and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.]); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); molecular graphics: XP in SHELXTL (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]) and DIAMOND (Brandenburg, 2006[Brandenburg, K. (2006). DIAMOND. Crystal Impact GbR, Bonn, Germany.]); software used to prepare material for publication: SHELXL97.

Supporting information


Comment top

The group of phenoxyalkanoic acids includes a considerable number of important herbicides. The desired biological activity is largely dependent on the length of the carbon chain of the alkanoic acid, the nature of the phenoxy group, and the position of its attachment to the carbon chain (Markus & Buser, 1997). The structures of 2-phenoxypropionic acid (HL) complexes coupled with their special functionality catched our interest. Here, we describe the GdIII title complex, (I).

The structure of complex (I) is shown in Fig. 1 and the coordination environment of Gd(III) is shown in Fig. 2. The dimeric title compound (I) is centrosymmetric and is comprised of six L anions and two phenanthroline ligands. The two Gd(III) ions are linked together by four L groups through their bi- and tri-dentate bridging modes, forming a dimeric unit. The distance between two Gd(III) ions in the dimeric unit is 4.0047 (2) Å, which is similar to a related complex (Yu et al., 2010). Each Gd(III) ion is coordinated by nine atoms, five of which are oxygen atoms from the bridging carboxylates, two oxygen atoms from the bidentate chelating carboxylate group, and two nitrogen atoms from a 1,10-phenanthroline molecule. The Gd(III) ion adopts a distorted monocapped square antiprisatic geometry (Fig. 2). The Gd—O distances are all within the range 2.3528 (14)–2.6270 (15) Å, and the Gd—N distances range from 2.5496 (18)–2.6184 (18) Å (Table 1).

For isotypic structures, see: for Tb (Shen et al., 2011a), for Pr (Shen et al., 2011b), for Dy (Shen et al., 2011c), for Ce (Shen et al., 2011d), for Ho (Shen et al., 2011e), for La (Shen et al., 2011f).

Related literature top

For background to phenoxyalkanoic acids, see: Markus & Buser (1997). For a related Gd complex, see: Yu et al. (2010). For isotypic structures, see: Shen et al. (2011a) for Tb; Shen et al. (2011b) for Pr; Shen et al. (2011c) for Dy; Shen et al. (2011d) for Ce; Shen et al. (2011e) for Ho; Shen et al. (2011f) for La.

Experimental top

Reagents and solvents used were of commercially available quality and without purified before use. 2-Phenoxypropionic acid (1.5 mmol), Gd(NO3)3.6H2O (0.5 mmol) and 1,10-phenanthroline (0.5 mmol) were dissolved in 20 ml enthanol, then 10 ml water were added to the above solution. The mixed solution was stirred for 12 h at room temperature. Finally, the deposit was filtered off and the colourless solution was kept in the open air. Colourless crystals were obtained after several days.

Refinement top

The H atoms bonded to C and N atoms were positioned geometrically and refined using a riding model [aliphatic C—H = 0.96 Å (Uiso(H) = 1.5Ueq(C)), aromatic C—H = 0.93 Å (Uiso(H) = 1.2Ueq(C))].

Structure description top

The group of phenoxyalkanoic acids includes a considerable number of important herbicides. The desired biological activity is largely dependent on the length of the carbon chain of the alkanoic acid, the nature of the phenoxy group, and the position of its attachment to the carbon chain (Markus & Buser, 1997). The structures of 2-phenoxypropionic acid (HL) complexes coupled with their special functionality catched our interest. Here, we describe the GdIII title complex, (I).

The structure of complex (I) is shown in Fig. 1 and the coordination environment of Gd(III) is shown in Fig. 2. The dimeric title compound (I) is centrosymmetric and is comprised of six L anions and two phenanthroline ligands. The two Gd(III) ions are linked together by four L groups through their bi- and tri-dentate bridging modes, forming a dimeric unit. The distance between two Gd(III) ions in the dimeric unit is 4.0047 (2) Å, which is similar to a related complex (Yu et al., 2010). Each Gd(III) ion is coordinated by nine atoms, five of which are oxygen atoms from the bridging carboxylates, two oxygen atoms from the bidentate chelating carboxylate group, and two nitrogen atoms from a 1,10-phenanthroline molecule. The Gd(III) ion adopts a distorted monocapped square antiprisatic geometry (Fig. 2). The Gd—O distances are all within the range 2.3528 (14)–2.6270 (15) Å, and the Gd—N distances range from 2.5496 (18)–2.6184 (18) Å (Table 1).

For isotypic structures, see: for Tb (Shen et al., 2011a), for Pr (Shen et al., 2011b), for Dy (Shen et al., 2011c), for Ce (Shen et al., 2011d), for Ho (Shen et al., 2011e), for La (Shen et al., 2011f).

For background to phenoxyalkanoic acids, see: Markus & Buser (1997). For a related Gd complex, see: Yu et al. (2010). For isotypic structures, see: Shen et al. (2011a) for Tb; Shen et al. (2011b) for Pr; Shen et al. (2011c) for Dy; Shen et al. (2011d) for Ce; Shen et al. (2011e) for Ho; Shen et al. (2011f) for La.

Computing details top

Data collection: APEX2 (Bruker, 2006); cell refinement: SAINT (Bruker, 2006); data reduction: SAINT (Bruker, 2006); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: XP in SHELXTL (Sheldrick, 2008) and DIAMOND (Brandenburg, 2006); software used to prepare material for publication: SHELXL97 (Sheldrick, 2008).

Figures top
[Figure 1] Fig. 1. The molecular structure of the title complex, showing the atom-labelling scheme. Displacement ellipsoids are drawn at the 30% probability level.
[Figure 2] Fig. 2. The coordination environment of the Gd(III).
Tetrakis(µ2-2-phenoxypropionato)-κ3O,O':O';κ3O:O,O';κ4O:O'-bis[(1,10-phenanthroline-κ2N,N')(2-phenoxypropionato-κ2O,O')gadolinium(III)] top
Crystal data top
[Gd2(C9H9O3)6(C12H8N2)2]F(000) = 1676
Mr = 1665.88Dx = 1.561 Mg m3
Monoclinic, P21/cMo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ybcCell parameters from 9931 reflections
a = 11.4876 (2) Åθ = 1.6–25.0°
b = 25.8305 (4) ŵ = 1.93 mm1
c = 13.8715 (2) ÅT = 296 K
β = 120.554 (1)°Block, colourless
V = 3544.58 (10) Å30.49 × 0.24 × 0.16 mm
Z = 2
Data collection top
Bruker APEXII CCD
diffractometer
6250 independent reflections
Radiation source: fine-focus sealed tube5788 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.022
phi and ω scansθmax = 25.0°, θmin = 1.6°
Absorption correction: multi-scan
(SADABS; Sheldrick, 1996)
h = 1313
Tmin = 0.585, Tmax = 0.741k = 3030
47235 measured reflectionsl = 1616
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)] = 0.021Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.043H-atom parameters constrained
S = 1.15 w = 1/[σ2(Fo2) + (0.0115P)2 + 2.8127P]
where P = (Fo2 + 2Fc2)/3
6250 reflections(Δ/σ)max = 0.002
463 parametersΔρmax = 0.72 e Å3
0 restraintsΔρmin = 0.37 e Å3
Crystal data top
[Gd2(C9H9O3)6(C12H8N2)2]V = 3544.58 (10) Å3
Mr = 1665.88Z = 2
Monoclinic, P21/cMo Kα radiation
a = 11.4876 (2) ŵ = 1.93 mm1
b = 25.8305 (4) ÅT = 296 K
c = 13.8715 (2) Å0.49 × 0.24 × 0.16 mm
β = 120.554 (1)°
Data collection top
Bruker APEXII CCD
diffractometer
6250 independent reflections
Absorption correction: multi-scan
(SADABS; Sheldrick, 1996)
5788 reflections with I > 2σ(I)
Tmin = 0.585, Tmax = 0.741Rint = 0.022
47235 measured reflections
Refinement top
R[F2 > 2σ(F2)] = 0.0210 restraints
wR(F2) = 0.043H-atom parameters constrained
S = 1.15Δρmax = 0.72 e Å3
6250 reflectionsΔρmin = 0.37 e Å3
463 parameters
Special details top

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
Gd10.046556 (10)0.002766 (4)0.340014 (8)0.02550 (4)
O10.03272 (16)0.08532 (6)0.30126 (14)0.0388 (4)
O20.12120 (18)0.01332 (6)0.28277 (15)0.0436 (4)
O30.0952 (2)0.13429 (7)0.15485 (15)0.0528 (5)
O40.08324 (17)0.07056 (6)0.43696 (13)0.0384 (4)
O60.32842 (18)0.15230 (7)0.65428 (16)0.0521 (5)
O70.11813 (15)0.03158 (6)0.48067 (12)0.0337 (3)
O80.25649 (15)0.04212 (6)0.30075 (12)0.0346 (4)
O90.40902 (16)0.11065 (6)0.34329 (14)0.0432 (4)
N10.12084 (19)0.06791 (7)0.18422 (15)0.0326 (4)
N20.21912 (19)0.03043 (7)0.14094 (15)0.0323 (4)
C10.1032 (2)0.06142 (9)0.27068 (19)0.0352 (5)
C20.1743 (3)0.09170 (10)0.2203 (2)0.0455 (6)
H2A0.19310.06850.17390.055*
C30.3056 (3)0.11432 (14)0.3127 (3)0.0679 (9)
H3A0.34900.13340.28030.102*
H3B0.36390.08680.35830.102*
H3C0.28710.13710.35800.102*
C40.0128 (3)0.12487 (10)0.0496 (2)0.0440 (6)
C50.0846 (3)0.16847 (12)0.0071 (3)0.0577 (7)
H5A0.06090.20070.02770.069*
C60.1906 (3)0.16423 (14)0.1145 (3)0.0700 (9)
H6A0.23860.19370.15250.084*
C70.2270 (3)0.11702 (16)0.1669 (3)0.0694 (9)
H7A0.29900.11440.24000.083*
C80.1560 (3)0.07369 (14)0.1103 (3)0.0655 (9)
H8A0.17980.04170.14580.079*
C90.0490 (3)0.07709 (11)0.0010 (2)0.0521 (7)
H9A0.00250.04750.03760.063*
C100.1572 (2)0.08655 (8)0.53581 (18)0.0307 (5)
C110.2403 (2)0.13458 (9)0.5442 (2)0.0394 (6)
H11A0.17720.16260.50230.047*
C120.3250 (3)0.12420 (12)0.4913 (3)0.0610 (8)
H12A0.37280.15510.49380.092*
H12B0.38870.09710.53170.092*
H12C0.26740.11380.41490.092*
C130.2779 (3)0.18232 (9)0.7067 (2)0.0487 (7)
C140.3765 (4)0.20978 (11)0.7975 (3)0.0701 (9)
H14A0.46620.20850.81540.084*
C150.3401 (6)0.23875 (15)0.8606 (3)0.0996 (15)
H15A0.40560.25740.92150.120*
C160.2094 (7)0.24059 (16)0.8351 (4)0.1070 (17)
H16A0.18590.26020.87890.128*
C170.1127 (5)0.21372 (13)0.7455 (4)0.0870 (12)
H17A0.02320.21520.72820.104*
C180.1463 (3)0.18461 (10)0.6806 (3)0.0580 (8)
H18A0.07990.16650.61920.070*
C190.2279 (2)0.04794 (8)0.39940 (17)0.0269 (4)
C200.3273 (2)0.07336 (9)0.42604 (19)0.0359 (5)
H20A0.27770.09020.49940.043*
C210.4223 (3)0.03319 (11)0.4272 (2)0.0516 (7)
H21A0.48630.04970.44230.077*
H21B0.46960.01630.35570.077*
H21C0.37150.00800.48440.077*
C220.3458 (3)0.15389 (9)0.3341 (2)0.0463 (6)
C230.4223 (3)0.18490 (11)0.2430 (3)0.0632 (8)
H23A0.51100.17580.19130.076*
C240.3678 (4)0.22961 (13)0.2280 (3)0.0848 (11)
H24A0.42010.25030.16580.102*
C250.2378 (4)0.24390 (13)0.3034 (4)0.0945 (13)
H25A0.20160.27420.29330.113*
C260.1626 (4)0.21295 (14)0.3934 (4)0.1075 (16)
H26A0.07420.22240.44520.129*
C270.2152 (3)0.16744 (12)0.4096 (3)0.0825 (12)
H27A0.16210.14640.47100.099*
C280.2628 (2)0.07881 (9)0.1182 (2)0.0390 (5)
H28A0.22000.10360.17410.047*
C290.3701 (3)0.09441 (10)0.0145 (2)0.0436 (6)
H29A0.39680.12890.00180.052*
C300.4353 (3)0.05859 (10)0.0678 (2)0.0434 (6)
H30A0.50840.06820.13680.052*
C310.4547 (3)0.03305 (11)0.1292 (2)0.0452 (6)
H31A0.52970.02520.19850.054*
C320.4083 (3)0.08174 (11)0.1075 (2)0.0472 (6)
H32A0.45190.10710.16190.057*
C330.2382 (3)0.14554 (10)0.0230 (2)0.0505 (7)
H33A0.27720.17180.03000.061*
C340.1286 (3)0.15558 (10)0.1248 (2)0.0530 (7)
H34A0.09090.18860.14200.064*
C350.0732 (3)0.11570 (9)0.2033 (2)0.0438 (6)
H35A0.00160.12320.27290.053*
C360.3912 (2)0.00715 (9)0.04773 (19)0.0367 (5)
C370.2806 (2)0.00555 (8)0.05864 (18)0.0310 (5)
C380.2924 (2)0.09551 (9)0.0020 (2)0.0385 (5)
C390.2296 (2)0.05740 (9)0.08161 (18)0.0314 (5)
O50.16714 (16)0.06792 (6)0.62245 (12)0.0340 (3)
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Gd10.02465 (6)0.02839 (6)0.01925 (6)0.00027 (4)0.00808 (4)0.00072 (4)
O10.0396 (10)0.0372 (9)0.0399 (9)0.0004 (7)0.0203 (8)0.0027 (7)
O20.0503 (11)0.0383 (9)0.0519 (11)0.0013 (8)0.0329 (9)0.0048 (8)
O30.0616 (12)0.0471 (10)0.0390 (10)0.0111 (9)0.0178 (10)0.0090 (8)
O40.0462 (10)0.0378 (9)0.0242 (8)0.0116 (7)0.0127 (8)0.0025 (7)
O60.0428 (11)0.0496 (11)0.0497 (11)0.0096 (8)0.0133 (9)0.0110 (9)
O70.0293 (8)0.0385 (8)0.0237 (8)0.0044 (7)0.0064 (7)0.0004 (6)
O80.0297 (8)0.0464 (9)0.0225 (8)0.0055 (7)0.0094 (7)0.0015 (7)
O90.0298 (9)0.0404 (9)0.0476 (10)0.0058 (7)0.0109 (8)0.0004 (8)
N10.0314 (10)0.0373 (10)0.0262 (10)0.0003 (8)0.0125 (9)0.0023 (8)
N20.0329 (10)0.0362 (10)0.0239 (10)0.0002 (8)0.0117 (9)0.0008 (8)
C10.0320 (12)0.0433 (14)0.0249 (12)0.0050 (10)0.0105 (10)0.0035 (10)
C20.0441 (15)0.0527 (15)0.0393 (14)0.0070 (12)0.0210 (13)0.0079 (12)
C30.0442 (17)0.098 (2)0.0511 (18)0.0250 (16)0.0165 (15)0.0163 (17)
C40.0463 (15)0.0525 (15)0.0346 (14)0.0082 (12)0.0215 (13)0.0074 (12)
C50.0595 (19)0.0531 (17)0.0593 (19)0.0025 (14)0.0293 (16)0.0123 (14)
C60.056 (2)0.082 (2)0.066 (2)0.0077 (17)0.0263 (18)0.0301 (19)
C70.0472 (18)0.116 (3)0.0378 (17)0.0006 (19)0.0163 (15)0.0101 (18)
C80.060 (2)0.085 (2)0.0512 (19)0.0107 (17)0.0287 (17)0.0189 (17)
C90.0541 (17)0.0565 (17)0.0445 (16)0.0001 (13)0.0241 (14)0.0004 (13)
C100.0304 (12)0.0302 (11)0.0274 (12)0.0010 (9)0.0117 (10)0.0019 (9)
C110.0399 (14)0.0382 (13)0.0333 (13)0.0105 (10)0.0136 (11)0.0022 (10)
C120.0541 (18)0.073 (2)0.064 (2)0.0201 (15)0.0363 (17)0.0061 (16)
C130.0655 (19)0.0302 (12)0.0480 (16)0.0062 (12)0.0270 (15)0.0055 (11)
C140.076 (2)0.0423 (16)0.063 (2)0.0036 (15)0.0138 (18)0.0039 (15)
C150.148 (4)0.061 (2)0.059 (2)0.003 (3)0.030 (3)0.0189 (18)
C160.194 (6)0.063 (2)0.102 (4)0.002 (3)0.102 (4)0.014 (2)
C170.121 (3)0.0499 (19)0.124 (4)0.008 (2)0.087 (3)0.002 (2)
C180.066 (2)0.0373 (14)0.070 (2)0.0018 (13)0.0340 (17)0.0037 (13)
C190.0246 (11)0.0255 (10)0.0255 (12)0.0014 (8)0.0090 (10)0.0001 (8)
C200.0334 (13)0.0408 (13)0.0303 (12)0.0045 (10)0.0139 (11)0.0019 (10)
C210.0458 (16)0.0627 (17)0.0572 (18)0.0027 (13)0.0343 (15)0.0000 (14)
C220.0404 (15)0.0345 (13)0.0549 (17)0.0067 (11)0.0176 (13)0.0042 (12)
C230.0571 (19)0.0547 (18)0.0582 (19)0.0047 (14)0.0149 (16)0.0048 (15)
C240.097 (3)0.055 (2)0.081 (3)0.0070 (19)0.029 (2)0.0203 (18)
C250.091 (3)0.0490 (19)0.121 (4)0.0112 (19)0.037 (3)0.014 (2)
C260.071 (3)0.058 (2)0.132 (4)0.0205 (19)0.007 (3)0.020 (2)
C270.052 (2)0.0489 (18)0.094 (3)0.0084 (15)0.0011 (19)0.0149 (17)
C280.0427 (14)0.0384 (13)0.0303 (13)0.0038 (11)0.0145 (11)0.0032 (10)
C290.0440 (15)0.0464 (14)0.0347 (14)0.0108 (11)0.0158 (12)0.0116 (11)
C300.0358 (14)0.0596 (16)0.0251 (12)0.0059 (12)0.0085 (11)0.0120 (11)
C310.0374 (14)0.0665 (18)0.0228 (12)0.0079 (12)0.0090 (11)0.0009 (12)
C320.0434 (15)0.0611 (17)0.0294 (13)0.0159 (13)0.0130 (12)0.0132 (12)
C330.0559 (17)0.0470 (15)0.0448 (16)0.0108 (13)0.0229 (14)0.0176 (12)
C340.0628 (19)0.0388 (14)0.0511 (17)0.0038 (13)0.0244 (15)0.0076 (12)
C350.0456 (15)0.0430 (14)0.0350 (14)0.0067 (11)0.0147 (12)0.0012 (11)
C360.0321 (12)0.0520 (14)0.0239 (11)0.0031 (10)0.0128 (10)0.0025 (10)
C370.0279 (11)0.0413 (12)0.0234 (11)0.0033 (9)0.0128 (9)0.0010 (9)
C380.0392 (14)0.0456 (14)0.0322 (13)0.0089 (11)0.0191 (11)0.0091 (11)
C390.0292 (12)0.0416 (12)0.0245 (11)0.0048 (9)0.0143 (10)0.0032 (9)
O50.0390 (9)0.0340 (8)0.0255 (8)0.0068 (7)0.0139 (7)0.0027 (7)
Geometric parameters (Å, º) top
Gd1—O7i2.3528 (14)C13—C181.365 (4)
Gd1—O42.3624 (15)C13—C141.387 (4)
Gd1—O5i2.3991 (15)C14—C151.368 (6)
Gd1—O22.4443 (16)C14—H14A0.9300
Gd1—O82.4742 (15)C15—C161.357 (6)
Gd1—O12.4826 (15)C15—H15A0.9300
Gd1—N22.5496 (18)C16—C171.363 (6)
Gd1—N12.6184 (18)C16—H16A0.9300
Gd1—O72.6270 (15)C17—C181.370 (4)
Gd1—Gd1i4.0047 (2)C17—H17A0.9300
O1—C11.251 (3)C18—H18A0.9300
O2—C11.257 (3)C19—C201.517 (3)
O3—C41.375 (3)C20—C211.513 (3)
O3—C21.422 (3)C20—H20A0.9800
O4—C101.260 (3)C21—H21A0.9600
O6—C131.377 (3)C21—H21B0.9600
O6—C111.412 (3)C21—H21C0.9600
O7—C191.263 (2)C22—C271.368 (4)
O7—Gd1i2.3528 (14)C22—C231.372 (4)
O8—C191.243 (2)C23—C241.379 (5)
O9—C221.373 (3)C23—H23A0.9300
O9—C201.425 (3)C24—C251.368 (5)
N1—C351.322 (3)C24—H24A0.9300
N1—C391.361 (3)C25—C261.358 (5)
N2—C281.324 (3)C25—H25A0.9300
N2—C371.359 (3)C26—C271.391 (5)
C1—C21.532 (3)C26—H26A0.9300
C2—C31.514 (4)C27—H27A0.9300
C2—H2A0.9800C28—C291.396 (3)
C3—H3A0.9600C28—H28A0.9300
C3—H3B0.9600C29—C301.361 (4)
C3—H3C0.9600C29—H29A0.9300
C4—C91.375 (4)C30—C361.398 (3)
C4—C51.381 (4)C30—H30A0.9300
C5—C61.368 (4)C31—C321.339 (4)
C5—H5A0.9300C31—C361.432 (3)
C6—C71.371 (5)C31—H31A0.9300
C6—H6A0.9300C32—C381.435 (4)
C7—C81.372 (5)C32—H32A0.9300
C7—H7A0.9300C33—C341.356 (4)
C8—C91.387 (4)C33—C381.399 (4)
C8—H8A0.9300C33—H33A0.9300
C9—H9A0.9300C34—C351.396 (4)
C10—O51.245 (3)C34—H34A0.9300
C10—C111.534 (3)C35—H35A0.9300
C11—C121.510 (4)C36—C371.412 (3)
C11—H11A0.9800C37—C391.431 (3)
C12—H12A0.9600C38—C391.408 (3)
C12—H12B0.9600O5—Gd1i2.3991 (15)
C12—H12C0.9600
O7i—Gd1—O473.51 (5)C7—C8—C9120.8 (3)
O7i—Gd1—O5i77.96 (5)C7—C8—H8A119.6
O4—Gd1—O5i134.90 (5)C9—C8—H8A119.6
O7i—Gd1—O288.00 (6)C4—C9—C8119.0 (3)
O4—Gd1—O284.30 (6)C4—C9—H9A120.5
O5i—Gd1—O2129.04 (5)C8—C9—H9A120.5
O7i—Gd1—O8123.43 (5)O5—C10—O4127.2 (2)
O4—Gd1—O890.69 (6)O5—C10—C11119.46 (19)
O5i—Gd1—O876.75 (5)O4—C10—C11113.38 (19)
O2—Gd1—O8145.29 (5)O6—C11—C12107.3 (2)
O7i—Gd1—O176.76 (5)O6—C11—C10114.85 (19)
O4—Gd1—O1128.11 (6)C12—C11—C10110.5 (2)
O5i—Gd1—O176.13 (5)O6—C11—H11A108.0
O2—Gd1—O152.93 (5)C12—C11—H11A108.0
O8—Gd1—O1141.14 (5)C10—C11—H11A108.0
O7i—Gd1—N2145.19 (6)C11—C12—H12A109.5
O4—Gd1—N2139.42 (6)C11—C12—H12B109.5
O5i—Gd1—N279.73 (5)H12A—C12—H12B109.5
O2—Gd1—N285.65 (6)C11—C12—H12C109.5
O8—Gd1—N276.04 (5)H12A—C12—H12C109.5
O1—Gd1—N272.15 (6)H12B—C12—H12C109.5
O7i—Gd1—N1147.42 (6)C18—C13—O6126.3 (2)
O4—Gd1—N175.96 (5)C18—C13—C14120.1 (3)
O5i—Gd1—N1133.34 (5)O6—C13—C14113.5 (3)
O2—Gd1—N177.85 (6)C15—C14—C13119.1 (4)
O8—Gd1—N167.63 (5)C15—C14—H14A120.4
O1—Gd1—N1114.94 (6)C13—C14—H14A120.4
N2—Gd1—N163.50 (6)C16—C15—C14120.6 (4)
O7i—Gd1—O773.06 (6)C16—C15—H15A119.7
O4—Gd1—O769.62 (5)C14—C15—H15A119.7
O5i—Gd1—O769.05 (5)C15—C16—C17120.0 (4)
O2—Gd1—O7151.06 (5)C15—C16—H16A120.0
O8—Gd1—O750.74 (5)C17—C16—H16A120.0
O1—Gd1—O7137.62 (5)C16—C17—C18120.5 (4)
N2—Gd1—O7122.31 (5)C16—C17—H17A119.8
N1—Gd1—O7106.49 (5)C18—C17—H17A119.8
O7i—Gd1—C183.56 (6)C13—C18—C17119.6 (3)
O4—Gd1—C1107.99 (6)C13—C18—H18A120.2
O5i—Gd1—C1102.59 (6)C17—C18—H18A120.2
O2—Gd1—C126.59 (6)O8—C19—O7121.83 (19)
O8—Gd1—C1151.29 (6)O8—C19—C20120.67 (19)
O1—Gd1—C126.50 (6)O7—C19—C20117.46 (19)
N2—Gd1—C175.63 (6)O8—C19—Gd157.39 (11)
N1—Gd1—C195.34 (6)O7—C19—Gd164.45 (11)
O7—Gd1—C1156.27 (6)C20—C19—Gd1177.62 (15)
O7i—Gd1—C1998.61 (6)O9—C20—C21106.8 (2)
O4—Gd1—C1979.26 (6)O9—C20—C19111.46 (18)
O5i—Gd1—C1971.28 (5)C21—C20—C19110.04 (19)
O2—Gd1—C19159.67 (6)O9—C20—H20A109.5
O8—Gd1—C1925.04 (5)C21—C20—H20A109.5
O1—Gd1—C19147.31 (5)C19—C20—H20A109.5
N2—Gd1—C1999.11 (6)C20—C21—H21A109.5
N1—Gd1—C1986.56 (6)C20—C21—H21B109.5
O7—Gd1—C1925.70 (5)H21A—C21—H21B109.5
C1—Gd1—C19172.75 (6)C20—C21—H21C109.5
O7i—Gd1—Gd1i38.87 (4)H21A—C21—H21C109.5
O4—Gd1—Gd1i66.72 (4)H21B—C21—H21C109.5
O5i—Gd1—Gd1i69.07 (3)C27—C22—C23119.7 (3)
O2—Gd1—Gd1i123.61 (4)C27—C22—O9124.2 (3)
O8—Gd1—Gd1i84.75 (3)C23—C22—O9116.1 (2)
O1—Gd1—Gd1i110.48 (4)C22—C23—C24120.0 (3)
N2—Gd1—Gd1i146.41 (4)C22—C23—H23A120.0
N1—Gd1—Gd1i132.94 (4)C24—C23—H23A120.0
O7—Gd1—Gd1i34.20 (3)C25—C24—C23120.9 (3)
C1—Gd1—Gd1i122.32 (5)C25—C24—H24A119.6
C19—Gd1—Gd1i59.79 (4)C23—C24—H24A119.6
C1—O1—Gd191.23 (13)C26—C25—C24118.7 (3)
C1—O2—Gd192.88 (14)C26—C25—H25A120.6
C4—O3—C2118.7 (2)C24—C25—H25A120.6
C10—O4—Gd1139.77 (14)C25—C26—C27121.4 (4)
C13—O6—C11119.4 (2)C25—C26—H26A119.3
C19—O7—Gd1i162.02 (14)C27—C26—H26A119.3
C19—O7—Gd189.85 (12)C22—C27—C26119.3 (3)
Gd1i—O7—Gd1106.94 (5)C22—C27—H27A120.3
C19—O8—Gd197.57 (12)C26—C27—H27A120.3
C22—O9—C20117.49 (18)N2—C28—C29123.2 (2)
C35—N1—C39117.5 (2)N2—C28—H28A118.4
C35—N1—Gd1123.93 (16)C29—C28—H28A118.4
C39—N1—Gd1117.70 (14)C30—C29—C28119.3 (2)
C28—N2—C37118.3 (2)C30—C29—H29A120.3
C28—N2—Gd1120.95 (15)C28—C29—H29A120.3
C37—N2—Gd1120.28 (14)C29—C30—C36119.3 (2)
O1—C1—O2122.2 (2)C29—C30—H30A120.3
O1—C1—C2119.3 (2)C36—C30—H30A120.3
O2—C1—C2118.4 (2)C32—C31—C36121.3 (2)
O1—C1—Gd162.28 (12)C32—C31—H31A119.4
O2—C1—Gd160.53 (12)C36—C31—H31A119.4
C2—C1—Gd1174.03 (16)C31—C32—C38121.2 (2)
O3—C2—C3106.3 (2)C31—C32—H32A119.4
O3—C2—C1111.7 (2)C38—C32—H32A119.4
C3—C2—C1110.1 (2)C34—C33—C38119.7 (2)
O3—C2—H2A109.6C34—C33—H33A120.2
C3—C2—H2A109.6C38—C33—H33A120.2
C1—C2—H2A109.6C33—C34—C35119.0 (2)
C2—C3—H3A109.5C33—C34—H34A120.5
C2—C3—H3B109.5C35—C34—H34A120.5
H3A—C3—H3B109.5N1—C35—C34123.7 (2)
C2—C3—H3C109.5N1—C35—H35A118.1
H3A—C3—H3C109.5C34—C35—H35A118.1
H3B—C3—H3C109.5C30—C36—C37118.1 (2)
O3—C4—C9125.2 (2)C30—C36—C31123.0 (2)
O3—C4—C5114.6 (2)C37—C36—C31118.9 (2)
C9—C4—C5120.2 (3)N2—C37—C36121.8 (2)
C6—C5—C4119.9 (3)N2—C37—C39118.29 (19)
C6—C5—H5A120.1C36—C37—C39119.9 (2)
C4—C5—H5A120.1C33—C38—C39117.7 (2)
C5—C6—C7120.7 (3)C33—C38—C32123.1 (2)
C5—C6—H6A119.6C39—C38—C32119.2 (2)
C7—C6—H6A119.6N1—C39—C38122.4 (2)
C6—C7—C8119.4 (3)N1—C39—C37118.26 (19)
C6—C7—H7A120.3C38—C39—C37119.4 (2)
C8—C7—H7A120.3C10—O5—Gd1i134.51 (14)
O7i—Gd1—O1—C1102.35 (14)O8—Gd1—C1—O2100.11 (17)
O4—Gd1—O1—C146.07 (15)O1—Gd1—C1—O2171.6 (2)
O5i—Gd1—O1—C1177.01 (14)N2—Gd1—C1—O2109.69 (14)
O2—Gd1—O1—C14.72 (13)N1—Gd1—C1—O248.80 (14)
O8—Gd1—O1—C1130.06 (13)O7—Gd1—C1—O2108.27 (18)
N2—Gd1—O1—C193.53 (14)Gd1i—Gd1—C1—O2101.51 (14)
N1—Gd1—O1—C145.34 (14)C4—O3—C2—C3163.1 (2)
O7—Gd1—O1—C1147.77 (12)C4—O3—C2—C176.8 (3)
C19—Gd1—O1—C1172.36 (13)O1—C1—C2—O335.4 (3)
Gd1i—Gd1—O1—C1122.00 (12)O2—C1—C2—O3146.6 (2)
O7i—Gd1—O2—C179.58 (14)O1—C1—C2—C382.4 (3)
O4—Gd1—O2—C1153.20 (14)O2—C1—C2—C395.5 (3)
O5i—Gd1—O2—C16.86 (17)C2—O3—C4—C92.7 (4)
O8—Gd1—O2—C1123.85 (14)C2—O3—C4—C5179.2 (2)
O1—Gd1—O2—C14.70 (13)O3—C4—C5—C6177.1 (3)
N2—Gd1—O2—C166.17 (14)C9—C4—C5—C61.1 (4)
N1—Gd1—O2—C1129.97 (15)C4—C5—C6—C70.2 (5)
O7—Gd1—O2—C1127.86 (14)C5—C6—C7—C80.1 (5)
C19—Gd1—O2—C1170.75 (16)C6—C7—C8—C90.5 (5)
Gd1i—Gd1—O2—C196.11 (14)O3—C4—C9—C8176.3 (3)
O7i—Gd1—O4—C1024.2 (2)C5—C4—C9—C81.8 (4)
O5i—Gd1—O4—C1028.8 (3)C7—C8—C9—C41.5 (5)
O2—Gd1—O4—C10113.8 (2)Gd1—O4—C10—O513.8 (4)
O8—Gd1—O4—C10100.7 (2)Gd1—O4—C10—C11166.83 (17)
O1—Gd1—O4—C1081.8 (2)C13—O6—C11—C12155.8 (2)
N2—Gd1—O4—C10169.8 (2)C13—O6—C11—C1081.0 (3)
N1—Gd1—O4—C10167.4 (2)O5—C10—C11—O63.0 (3)
O7—Gd1—O4—C1053.5 (2)O4—C10—C11—O6177.6 (2)
C1—Gd1—O4—C10101.5 (2)O5—C10—C11—C12124.5 (2)
C19—Gd1—O4—C1078.3 (2)O4—C10—C11—C1256.0 (3)
Gd1i—Gd1—O4—C1016.7 (2)C11—O6—C13—C1822.0 (4)
O7i—Gd1—O7—C19173.47 (15)C11—O6—C13—C14161.6 (2)
O4—Gd1—O7—C19108.27 (13)C18—C13—C14—C150.4 (5)
O5i—Gd1—O7—C1990.18 (12)O6—C13—C14—C15176.3 (3)
O2—Gd1—O7—C19135.29 (13)C13—C14—C15—C160.2 (6)
O8—Gd1—O7—C190.41 (11)C14—C15—C16—C170.5 (7)
O1—Gd1—O7—C19127.01 (12)C15—C16—C17—C180.2 (6)
N2—Gd1—O7—C1928.09 (14)O6—C13—C18—C17175.5 (3)
N1—Gd1—O7—C1940.59 (13)C14—C13—C18—C170.7 (4)
C1—Gd1—O7—C19163.26 (16)C16—C17—C18—C130.4 (5)
Gd1i—Gd1—O7—C19173.47 (15)Gd1—O8—C19—O70.8 (2)
O7i—Gd1—O7—Gd1i0.0Gd1—O8—C19—C20178.39 (17)
O4—Gd1—O7—Gd1i78.27 (6)Gd1i—O7—C19—O8158.6 (3)
O5i—Gd1—O7—Gd1i83.28 (6)Gd1—O7—C19—O80.8 (2)
O2—Gd1—O7—Gd1i51.24 (13)Gd1i—O7—C19—C2019.1 (6)
O8—Gd1—O7—Gd1i173.05 (9)Gd1—O7—C19—C20178.41 (17)
O1—Gd1—O7—Gd1i46.45 (10)Gd1i—O7—C19—Gd1159.3 (5)
N2—Gd1—O7—Gd1i145.37 (6)O7i—Gd1—C19—O8172.92 (12)
N1—Gd1—O7—Gd1i145.94 (6)O4—Gd1—C19—O8115.80 (13)
C1—Gd1—O7—Gd1i10.20 (18)O5i—Gd1—C19—O898.83 (13)
C19—Gd1—O7—Gd1i173.47 (15)O2—Gd1—C19—O879.2 (2)
O7i—Gd1—O8—C198.40 (15)O1—Gd1—C19—O894.06 (15)
O4—Gd1—O8—C1962.20 (13)N2—Gd1—C19—O823.01 (13)
O5i—Gd1—O8—C1974.05 (12)N1—Gd1—C19—O839.45 (13)
O2—Gd1—O8—C19143.17 (13)O7—Gd1—C19—O8179.2 (2)
O1—Gd1—O8—C19120.83 (13)Gd1i—Gd1—C19—O8175.00 (14)
N2—Gd1—O8—C19156.56 (13)O7i—Gd1—C19—O76.32 (15)
N1—Gd1—O8—C19136.70 (14)O4—Gd1—C19—O764.96 (12)
O7—Gd1—O8—C190.42 (11)O5i—Gd1—C19—O780.41 (12)
C1—Gd1—O8—C19166.13 (14)O2—Gd1—C19—O7101.55 (19)
Gd1i—Gd1—O8—C194.34 (12)O8—Gd1—C19—O7179.2 (2)
O7i—Gd1—N1—C3521.8 (2)O1—Gd1—C19—O785.18 (15)
O4—Gd1—N1—C350.91 (19)N2—Gd1—C19—O7156.23 (12)
O5i—Gd1—N1—C35138.95 (18)N1—Gd1—C19—O7141.31 (12)
O2—Gd1—N1—C3588.00 (19)Gd1i—Gd1—C19—O74.24 (10)
O8—Gd1—N1—C3595.8 (2)C22—O9—C20—C21174.0 (2)
O1—Gd1—N1—C35126.74 (19)C22—O9—C20—C1965.8 (3)
N2—Gd1—N1—C35179.2 (2)O8—C19—C20—O930.7 (3)
O7—Gd1—N1—C3562.4 (2)O7—C19—C20—O9151.64 (19)
C1—Gd1—N1—C35108.15 (19)O8—C19—C20—C2187.6 (3)
C19—Gd1—N1—C3578.86 (19)O7—C19—C20—C2190.1 (2)
Gd1i—Gd1—N1—C3537.0 (2)C20—O9—C22—C2710.8 (4)
O7i—Gd1—N1—C39169.06 (13)C20—O9—C22—C23170.1 (2)
O4—Gd1—N1—C39170.09 (16)C27—C22—C23—C240.3 (5)
O5i—Gd1—N1—C3930.23 (18)O9—C22—C23—C24178.9 (3)
O2—Gd1—N1—C39102.83 (16)C22—C23—C24—C250.4 (6)
O8—Gd1—N1—C3973.41 (15)C23—C24—C25—C260.5 (7)
O1—Gd1—N1—C3964.09 (16)C24—C25—C26—C270.1 (8)
N2—Gd1—N1—C3911.64 (14)C23—C22—C27—C260.8 (6)
O7—Gd1—N1—C39106.74 (15)O9—C22—C27—C26178.2 (4)
C1—Gd1—N1—C3982.67 (16)C25—C26—C27—C220.8 (7)
C19—Gd1—N1—C3990.32 (15)C37—N2—C28—C291.0 (4)
Gd1i—Gd1—N1—C39132.20 (13)Gd1—N2—C28—C29170.91 (18)
O7i—Gd1—N2—C2818.1 (2)N2—C28—C29—C300.9 (4)
O4—Gd1—N2—C28174.25 (16)C28—C29—C30—C361.6 (4)
O5i—Gd1—N2—C2832.72 (17)C36—C31—C32—C380.4 (4)
O2—Gd1—N2—C2898.25 (18)C38—C33—C34—C350.9 (4)
O8—Gd1—N2—C28111.48 (18)C39—N1—C35—C340.5 (4)
O1—Gd1—N2—C2845.88 (17)Gd1—N1—C35—C34168.7 (2)
N1—Gd1—N2—C28176.84 (19)C33—C34—C35—N10.5 (4)
O7—Gd1—N2—C2889.72 (18)C29—C30—C36—C370.6 (4)
C1—Gd1—N2—C2873.25 (18)C29—C30—C36—C31179.4 (2)
C19—Gd1—N2—C28101.66 (18)C32—C31—C36—C30178.9 (2)
Gd1i—Gd1—N2—C2854.5 (2)C32—C31—C36—C372.3 (4)
O7i—Gd1—N2—C37170.22 (14)C28—N2—C37—C362.0 (3)
O4—Gd1—N2—C3714.0 (2)Gd1—N2—C37—C36169.90 (16)
O5i—Gd1—N2—C37138.98 (16)C28—N2—C37—C39177.3 (2)
O2—Gd1—N2—C3790.05 (16)Gd1—N2—C37—C3910.7 (3)
O8—Gd1—N2—C3760.22 (16)C30—C36—C37—N21.3 (3)
O1—Gd1—N2—C37142.42 (17)C31—C36—C37—N2177.6 (2)
N1—Gd1—N2—C3711.46 (15)C30—C36—C37—C39178.1 (2)
O7—Gd1—N2—C3781.98 (16)C31—C36—C37—C393.1 (3)
C1—Gd1—N2—C37115.05 (17)C34—C33—C38—C390.3 (4)
C19—Gd1—N2—C3770.04 (16)C34—C33—C38—C32179.9 (3)
Gd1i—Gd1—N2—C37117.23 (15)C31—C32—C38—C33178.1 (3)
Gd1—O1—C1—O28.7 (2)C31—C32—C38—C392.3 (4)
Gd1—O1—C1—C2173.45 (19)C35—N1—C39—C381.1 (3)
Gd1—O2—C1—O18.8 (2)Gd1—N1—C39—C38168.80 (16)
Gd1—O2—C1—C2173.29 (18)C35—N1—C39—C37178.6 (2)
O7i—Gd1—C1—O173.12 (13)Gd1—N1—C39—C3711.5 (2)
O4—Gd1—C1—O1143.43 (12)C33—C38—C39—N10.7 (3)
O5i—Gd1—C1—O12.97 (14)C32—C38—C39—N1178.9 (2)
O2—Gd1—C1—O1171.6 (2)C33—C38—C39—C37178.9 (2)
O8—Gd1—C1—O188.32 (17)C32—C38—C39—C371.5 (3)
N2—Gd1—C1—O178.74 (13)N2—C37—C39—N10.9 (3)
N1—Gd1—C1—O1139.62 (13)C36—C37—C39—N1178.46 (19)
O7—Gd1—C1—O163.3 (2)N2—C37—C39—C38179.4 (2)
Gd1i—Gd1—C1—O170.07 (14)C36—C37—C39—C381.2 (3)
O7i—Gd1—C1—O298.45 (14)O4—C10—O5—Gd1i8.9 (4)
O4—Gd1—C1—O228.14 (15)C11—C10—O5—Gd1i170.47 (15)
O5i—Gd1—C1—O2174.55 (13)
Symmetry code: (i) x, y, z+1.

Experimental details

Crystal data
Chemical formula[Gd2(C9H9O3)6(C12H8N2)2]
Mr1665.88
Crystal system, space groupMonoclinic, P21/c
Temperature (K)296
a, b, c (Å)11.4876 (2), 25.8305 (4), 13.8715 (2)
β (°) 120.554 (1)
V3)3544.58 (10)
Z2
Radiation typeMo Kα
µ (mm1)1.93
Crystal size (mm)0.49 × 0.24 × 0.16
Data collection
DiffractometerBruker APEXII CCD
Absorption correctionMulti-scan
(SADABS; Sheldrick, 1996)
Tmin, Tmax0.585, 0.741
No. of measured, independent and
observed [I > 2σ(I)] reflections
47235, 6250, 5788
Rint0.022
(sin θ/λ)max1)0.595
Refinement
R[F2 > 2σ(F2)], wR(F2), S 0.021, 0.043, 1.15
No. of reflections6250
No. of parameters463
H-atom treatmentH-atom parameters constrained
Δρmax, Δρmin (e Å3)0.72, 0.37

Computer programs: APEX2 (Bruker, 2006), SAINT (Bruker, 2006), SHELXS97 (Sheldrick, 2008), SHELXL97 (Sheldrick, 2008), XP in SHELXTL (Sheldrick, 2008) and DIAMOND (Brandenburg, 2006).

Selected bond lengths (Å) top
Gd1—O7i2.3528 (14)Gd1—O12.4826 (15)
Gd1—O42.3624 (15)Gd1—N22.5496 (18)
Gd1—O5i2.3991 (15)Gd1—N12.6184 (18)
Gd1—O22.4443 (16)Gd1—O72.6270 (15)
Gd1—O82.4742 (15)
Symmetry code: (i) x, y, z+1.
 

References

First citationBrandenburg, K. (2006). DIAMOND. Crystal Impact GbR, Bonn, Germany.  Google Scholar
First citationBruker (2006). APEX2 and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.  Google Scholar
First citationMarkus, D. M. & Buser, H. R. (1997). Environ. Sci. Technol. 31, 1953–1959.  Google Scholar
First citationSheldrick, G. M. (1996). SADABS. University of Göttingen, Germany.  Google Scholar
First citationSheldrick, G. M. (2008). Acta Cryst. A64, 112–122.  Web of Science CrossRef CAS IUCr Journals Google Scholar
First citationShen, J.-B., Liu, J.-L. & Zhao, G.-L. (2011a). Acta Cryst. E67, m1234.  Web of Science CSD CrossRef IUCr Journals Google Scholar
First citationShen, J.-B., Liu, J.-L. & Zhao, G.-L. (2011b). Acta Cryst. E67, m1321.  Web of Science CSD CrossRef IUCr Journals Google Scholar
First citationShen, J.-B., Liu, J.-L. & Zhao, G.-L. (2011c). Acta Cryst. E67, m1320.  Web of Science CSD CrossRef IUCr Journals Google Scholar
First citationShen, J.-B., Liu, J.-L. & Zhao, G.-L. (2011d). Acta Cryst. E67, m1359–m1360.  Web of Science CSD CrossRef IUCr Journals Google Scholar
First citationShen, J.-B., Liu, J.-L. & Zhao, G.-L. (2011e). Acta Cryst. E67, submitted.  CrossRef IUCr Journals Google Scholar
First citationShen, J.-B., Liu, J.-L. & Zhao, G.-L. (2011f). Acta Cryst. E67, m1358.  Web of Science CSD CrossRef IUCr Journals Google Scholar
First citationYu, Y.-Y., Liu, J.-F., Li, H.-Q., Wu, X.-Y. & Zhao, G.-L. (2010). J. Chin. Rare Earth Soc. 28, 525–530.  CAS Google Scholar

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