metal-organic compounds\(\def\hfill{\hskip 5em}\def\hfil{\hskip 3em}\def\eqno#1{\hfil {#1}}\)

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catena-Poly[[hexa­kis(μ-4-methyl­benzoato)-κ2O,O′;κ15O,O′:O-trieuropium(III)]-tris­­(μ-4-methyl­benzoato)-κ2O,O′;κ6O,O′:O]

aSchool of Food Science and Technology, Guang Dong Ocean University, Zhan Jiang 524088, People's Republic of China, and bCollege of Science, Guang Dong Ocean University, Zhan Jiang 524088, People's Republic of China
*Correspondence e-mail: songwd60@126.com

(Received 18 July 2008; accepted 21 July 2008; online 23 July 2008)

The title europium(III) carboxyl­ate, [Eu3(C8H7O2)9]n, has three independent Eu atoms, two of which are eight-coordinate in a square-anti­prismatic coordination geometry, whereas the third is nine-coordinate in a tricapped trigonal-prismatic coordination geometry. The metal atoms are linked by two bidentate and seven tridentate methyl­benzoate groups into a linear chain running along the b-axis direction.

Related literature

For the crystal structures of metal complexes of 4-toluic acid, see: Song, Gu, Hao & Yan (2008[Song, W.-D., Gu, C.-S., Hao, X.-M. & Yan, J.-B. (2008). Acta Cryst. E64, m522.]); Song, Wang & Ji (2008[Song, W.-D., Wang, H. & Ji, L.-L. (2008). Acta Cryst. E64, m548.]); Song, Wang & Miao (2008[Song, W.-D., Wang, H. & Miao, Y.-L. (2008). Acta Cryst. E64, m716.]); Song, Yan & Hao (2008[Song, W.-D., Yan, J.-B. & Hao, X.-M. (2008). Acta Cryst. E64, m919-m920.]).

[Scheme 1]

Experimental

Crystal data
  • [Eu3(C8H7O2)9]

  • Mr = 1672.10

  • Monoclinic, P 21 /n

  • a = 13.8417 (4) Å

  • b = 22.4998 (7) Å

  • c = 21.8170 (7) Å

  • β = 96.490 (2)°

  • V = 6751.0 (4) Å3

  • Z = 4

  • Mo Kα radiation

  • μ = 2.82 mm−1

  • T = 296 (2) K

  • 0.25 × 0.21 × 0.20 mm

Data collection
  • Bruker APEXII area-detector diffractometer

  • Absorption correction: multi-scan (SADABS; Sheldrick, 1996[Sheldrick, G. M. (1996). SADABS. University of Göttingen, Germany.]) Tmin = 0.539, Tmax = 0.602 (expected range = 0.509–0.569)

  • 67521 measured reflections

  • 15508 independent reflections

  • 11353 reflections with I > 2σ(I)

  • Rint = 0.073

Refinement
  • R[F2 > 2σ(F2)] = 0.042

  • wR(F2) = 0.108

  • S = 1.06

  • 15508 reflections

  • 847 parameters

  • H-atom parameters constrained

  • Δρmax = 0.79 e Å−3

  • Δρmin = −1.64 e Å−3

Data collection: APEX2 (Bruker, 2004[Bruker (2004). APEX2 and SMART. Bruker AXS Inc, Madison, Wisconsin, USA.]); cell refinement: SAINT (Bruker, 2004[Bruker (2004). APEX2 and SMART. 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: SHELXTL (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); software used to prepare material for publication: SHELXTL.

Supporting information


Comment top

As a building block, 4-methylbenzate ligand is an excellent candidate for the construction of supramolecular complexes (Song, Gu, Hao & Yan, 2008; Song, Wang & Ji, 2008; Song, Wang & Miao, 2008; Song, Yan & Hao, 2008). Recently, we obtained the title coordination polymer by the hydrothermal reaction of Eu2O3, 4-methylbenzoic acid and HNO3 in water.

In the asymmetric unit of the title complex (I), there are three crystallographically independent EuIII ions: one nine-coordinated EuIII centre is coordinated by eight oxygen atoms from six 4-methylbenzoate ligands, and the other EuIII centres are eight-coordinated by eight oxygen atoms from six 4-methylbenzoate ligands (Fig. 1). The 4-methylbenzoate ligands link the metal centres to form a polymeric chain (Fig. 1), in which the three unique EuIII ions, separated by 3.738 (2), 3.906 (8) and 3.949 (7) Å, respectively, are in turn interconnected via the carboxylate groups of 4-methylbenzoate ligands.

Related literature top

For the crystal structures of metal complexes of 4-toluic acid, see: Song, Gu, Hao & Yan (2008); Song, Wang & Ji (2008); Song, Wang & Miao (2008); Song, Yan & Hao (2008).

Experimental top

A mixture of Eu2O3 (0.5 mmol), 4-methylbenzoic acid (0.5 mmol), HNO3 (0.15 ml) and H2O (10 ml) was placed in a 23 ml Teflon reactor, which was heated to 433 K for three days and then cooled to room temperature at a rate of 10 K h-1 to obtain block colorless crystals.

Refinement top

Carbon-bound H atoms were placed at calculated positions and were treated as riding on the parent C atoms with C—H = 0.93–0.96 Å, and with Uiso(H) = 1.2 or 1.5 Ueq(C).

Computing details top

Data collection: APEX2 (Bruker, 2004); cell refinement: SAINT (Bruker, 2004); data reduction: SAINT (Bruker, 2004); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: SHELXTL (Sheldrick, 2008); software used to prepare material for publication: SHELXTL (Sheldrick, 2008).

Figures top
[Figure 1] Fig. 1. The molecular structure showing the atomic-numbering scheme and displacement ellipsoids drawn at the 30% probability level.
catena-Poly[[hexakis(µ-4-methylbenzoato)- κ2O,O';κ15O,O':O-trieuropium(III)]- tris(µ-4-methylbenzoato)- κ2O,O';κ6O,O':O] top
Crystal data top
[Eu3(C8H7O2)9]F(000) = 3312
Mr = 1672.10Dx = 1.645 Mg m3
Monoclinic, P21/nMo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ynCell parameters from 9100 reflections
a = 13.8417 (4) Åθ = 1.4–28.0°
b = 22.4998 (7) ŵ = 2.82 mm1
c = 21.8170 (7) ÅT = 296 K
β = 96.490 (2)°Block, colorless
V = 6751.0 (4) Å30.25 × 0.21 × 0.20 mm
Z = 4
Data collection top
Bruker APEXII area-detector
diffractometer
15508 independent reflections
Radiation source: fine-focus sealed tube11353 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.073
ϕ and ω scansθmax = 27.5°, θmin = 1.3°
Absorption correction: multi-scan
(SADABS; Sheldrick, 1996)
h = 1717
Tmin = 0.539, Tmax = 0.602k = 2929
67521 measured reflectionsl = 2826
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)] = 0.042Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.108H-atom parameters constrained
S = 1.06 w = 1/[σ2(Fo2) + (0.0443P)2 + 4.4935P]
where P = (Fo2 + 2Fc2)/3
15508 reflections(Δ/σ)max = 0.002
847 parametersΔρmax = 0.79 e Å3
0 restraintsΔρmin = 1.64 e Å3
Crystal data top
[Eu3(C8H7O2)9]V = 6751.0 (4) Å3
Mr = 1672.10Z = 4
Monoclinic, P21/nMo Kα radiation
a = 13.8417 (4) ŵ = 2.82 mm1
b = 22.4998 (7) ÅT = 296 K
c = 21.8170 (7) Å0.25 × 0.21 × 0.20 mm
β = 96.490 (2)°
Data collection top
Bruker APEXII area-detector
diffractometer
15508 independent reflections
Absorption correction: multi-scan
(SADABS; Sheldrick, 1996)
11353 reflections with I > 2σ(I)
Tmin = 0.539, Tmax = 0.602Rint = 0.073
67521 measured reflections
Refinement top
R[F2 > 2σ(F2)] = 0.0420 restraints
wR(F2) = 0.108H-atom parameters constrained
S = 1.06Δρmax = 0.79 e Å3
15508 reflectionsΔρmin = 1.64 e Å3
847 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
Eu10.204866 (18)0.640991 (10)0.239152 (11)0.03031 (7)
Eu20.247652 (17)0.477164 (10)0.251356 (11)0.02904 (7)
Eu30.282169 (18)0.806685 (10)0.279298 (11)0.03000 (7)
C10.0871 (4)0.5670 (2)0.1535 (2)0.0349 (11)
C20.0180 (4)0.5315 (2)0.1117 (2)0.0373 (12)
C30.0730 (4)0.5541 (3)0.0921 (3)0.0492 (14)
H30.08900.59240.10370.059*
C40.1403 (4)0.5209 (3)0.0556 (3)0.0536 (15)
H40.20140.53670.04310.064*
C50.1178 (5)0.4643 (3)0.0374 (3)0.0501 (15)
C60.0265 (5)0.4420 (2)0.0558 (3)0.0514 (15)
H60.01050.40410.04330.062*
C70.3894 (7)0.3672 (4)0.1070 (3)0.086 (2)
H7A0.41130.32680.10860.129*
H7B0.43930.39350.11810.129*
H7C0.33170.37240.13530.129*
C80.1926 (5)0.4269 (3)0.0015 (3)0.074 (2)
H8A0.23370.40740.02480.111*
H8B0.16000.39770.02380.111*
H8C0.23130.45210.03010.111*
C90.0347 (4)0.3962 (3)0.2248 (3)0.0440 (13)
C100.0702 (4)0.4102 (2)0.2115 (2)0.0382 (12)
C110.1052 (5)0.4660 (3)0.2248 (3)0.0521 (15)
H110.06460.49430.24520.063*
C120.2030 (5)0.4784 (3)0.2066 (3)0.0656 (19)
H120.22730.51540.21590.079*
C130.2285 (4)0.3826 (3)0.1648 (3)0.0613 (17)
H130.26990.35410.14550.074*
C140.1325 (4)0.3685 (3)0.1820 (3)0.0477 (14)
H140.10950.33080.17390.057*
C150.2642 (4)0.4382 (3)0.1756 (3)0.0598 (17)
C160.0177 (4)0.7830 (2)0.2281 (2)0.0395 (12)
C170.0661 (5)0.8349 (3)0.2367 (3)0.0678 (19)
H170.03650.86390.26270.081*
C180.1579 (6)0.8445 (4)0.2074 (4)0.078 (2)
H180.18940.88010.21340.094*
C190.0620 (4)0.7407 (3)0.1889 (3)0.0547 (16)
H190.02940.70580.18150.066*
C200.1542 (5)0.7502 (4)0.1608 (3)0.072 (2)
H200.18420.72080.13540.087*
C210.0982 (4)0.5835 (2)0.3264 (2)0.0373 (11)
C220.0341 (4)0.5525 (2)0.3654 (2)0.0370 (11)
C230.0410 (5)0.4923 (3)0.3761 (3)0.0486 (14)
H230.08890.47050.35950.058*
C240.0221 (5)0.4639 (3)0.4108 (3)0.0588 (17)
H240.01690.42310.41720.071*
C250.0932 (5)0.4955 (3)0.4364 (3)0.0547 (16)
C260.0985 (5)0.5558 (3)0.4267 (3)0.0682 (19)
H260.14550.57770.44400.082*
C270.0362 (4)0.5844 (3)0.3921 (3)0.0573 (16)
H270.04090.62530.38650.069*
C280.1626 (5)0.4640 (4)0.4741 (3)0.079 (2)
H28A0.19040.49220.50010.119*
H28B0.12810.43410.49910.119*
H28C0.21350.44560.44690.119*
C290.3319 (4)0.7273 (3)0.1543 (2)0.0426 (13)
C300.3748 (4)0.7327 (2)0.0949 (2)0.0359 (11)
C310.4263 (5)0.7827 (3)0.0815 (3)0.0541 (15)
H310.43380.81400.10950.065*
C320.4671 (5)0.7866 (3)0.0263 (3)0.0694 (19)
H320.50110.82070.01760.083*
C330.4578 (5)0.7410 (3)0.0155 (3)0.0600 (17)
C340.4053 (5)0.6922 (3)0.0018 (3)0.0654 (19)
H340.39700.66120.03020.079*
C350.3646 (4)0.6876 (3)0.0525 (3)0.0557 (16)
H350.32980.65360.06050.067*
C360.3956 (4)0.4401 (3)0.0509 (3)0.0510 (15)
H360.42950.47060.07260.061*
C370.3671 (5)0.3816 (3)0.0418 (3)0.0576 (16)
C380.4155 (5)0.4259 (3)0.0085 (3)0.0620 (17)
H380.46300.44730.02590.074*
C390.3260 (4)0.4090 (2)0.0775 (2)0.0389 (12)
C400.3049 (4)0.4258 (2)0.1406 (2)0.0359 (11)
C410.2774 (5)0.3635 (3)0.0448 (2)0.0492 (14)
H410.23040.34170.06220.059*
C420.2991 (6)0.3506 (3)0.0142 (3)0.0641 (19)
H420.26620.31960.03580.077*
C430.5085 (4)0.5867 (2)0.2799 (2)0.0352 (11)
C440.5100 (4)0.6460 (2)0.2636 (3)0.0455 (13)
H440.45240.66430.24750.055*
C450.5941 (4)0.6785 (3)0.2707 (3)0.0545 (16)
H450.59270.71830.25920.065*
C460.6804 (5)0.6534 (3)0.2945 (3)0.0577 (17)
C470.6805 (4)0.5936 (3)0.3102 (3)0.0645 (18)
H470.73850.57570.32620.077*
C480.5969 (4)0.5606 (3)0.3028 (3)0.0507 (15)
H480.59890.52050.31310.061*
C490.0825 (4)0.7758 (2)0.2578 (2)0.0352 (11)
C500.3291 (4)0.7149 (2)0.3703 (2)0.0322 (10)
C510.3793 (5)0.6917 (3)0.4805 (3)0.0536 (16)
H510.38120.73230.48860.064*
C520.3513 (4)0.6720 (2)0.4208 (2)0.0358 (11)
C530.4184 (4)0.5513 (2)0.2748 (2)0.0347 (11)
C540.4040 (5)0.6525 (3)0.5276 (3)0.0556 (16)
H540.42160.66700.56720.067*
C550.4032 (4)0.5920 (3)0.5173 (3)0.0455 (14)
C560.3745 (4)0.5723 (2)0.4583 (3)0.0500 (14)
H560.37280.53170.45030.060*
C570.3482 (4)0.6113 (2)0.4109 (3)0.0460 (13)
H570.32810.59670.37160.055*
C580.2101 (3)0.8950 (2)0.1485 (2)0.0334 (11)
C590.1816 (4)0.8574 (2)0.0935 (2)0.0362 (11)
C600.0417 (4)0.4747 (2)0.0924 (2)0.0406 (12)
H600.10320.45900.10420.049*
C610.7732 (5)0.6895 (4)0.3054 (4)0.095 (3)
H61A0.82530.66820.28990.142*
H61B0.78880.69640.34880.142*
H61C0.76420.72690.28440.142*
C620.4348 (5)0.5500 (3)0.5699 (3)0.071 (2)
H62A0.50420.55170.57930.106*
H62B0.41570.51020.55820.106*
H62C0.40460.56140.60560.106*
C630.1914 (5)0.8789 (3)0.0356 (3)0.0554 (16)
H630.21490.91720.03100.066*
C640.1458 (4)0.8007 (2)0.0991 (2)0.0381 (12)
H640.13780.78570.13790.046*
C650.1218 (4)0.7659 (3)0.0473 (3)0.0513 (15)
H650.09690.72790.05170.062*
C660.1344 (5)0.7869 (3)0.0104 (3)0.0521 (15)
C670.1667 (6)0.8441 (3)0.0159 (3)0.0665 (19)
H670.17210.85970.05490.080*
C680.2037 (5)0.8020 (4)0.1691 (4)0.075 (2)
C690.3064 (6)0.8120 (4)0.1374 (5)0.112 (3)
H69A0.30660.80780.09360.168*
H69B0.32770.85120.14670.168*
H69C0.34960.78320.15210.168*
C700.3693 (5)0.4546 (4)0.1534 (4)0.101 (3)
H70A0.40040.46970.18730.152*
H70B0.40340.41990.13680.152*
H70C0.37040.48450.12190.152*
C710.5037 (7)0.7442 (4)0.0751 (3)0.096 (3)
H71A0.55350.77410.07160.144*
H71B0.45490.75410.10840.144*
H71C0.53180.70630.08310.144*
C720.1107 (6)0.7477 (3)0.0677 (3)0.080 (2)
H72A0.16450.72180.07210.120*
H72B0.09880.77240.10360.120*
H72C0.05380.72440.06320.120*
O10.3381 (3)0.76936 (15)0.37999 (17)0.0552 (11)
O20.3002 (3)0.69761 (14)0.31548 (15)0.0371 (8)
O30.2092 (2)0.87436 (14)0.20319 (14)0.0344 (8)
O40.2347 (3)0.94765 (15)0.14131 (16)0.0436 (9)
O50.1154 (3)0.80769 (16)0.30228 (17)0.0436 (9)
O60.1398 (2)0.73859 (13)0.23484 (15)0.0326 (7)
O70.3440 (3)0.76835 (19)0.19304 (17)0.0528 (10)
O80.2850 (3)0.68048 (18)0.16297 (19)0.0537 (10)
O90.3385 (2)0.57569 (15)0.25196 (15)0.0364 (8)
O100.4184 (3)0.49851 (16)0.29149 (18)0.0465 (9)
O110.0666 (3)0.61844 (17)0.1673 (2)0.0595 (12)
O120.1683 (2)0.54461 (15)0.17555 (15)0.0362 (8)
O130.3485 (3)0.46824 (17)0.16781 (18)0.0501 (10)
O140.2391 (2)0.39781 (14)0.16678 (15)0.0356 (8)
O150.1642 (3)0.55402 (15)0.30270 (16)0.0409 (8)
O160.0899 (3)0.63751 (16)0.3154 (2)0.0588 (11)
O170.0931 (3)0.43705 (19)0.24689 (18)0.0520 (10)
O180.0624 (3)0.34538 (19)0.2124 (2)0.0587 (11)
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Eu10.03769 (14)0.01972 (12)0.03321 (14)0.00114 (9)0.00260 (10)0.00083 (9)
Eu20.03426 (14)0.02073 (12)0.03163 (13)0.00024 (9)0.00152 (10)0.00068 (9)
Eu30.03913 (14)0.02113 (12)0.02940 (13)0.00140 (10)0.00231 (10)0.00088 (9)
C10.039 (3)0.032 (3)0.033 (3)0.001 (2)0.002 (2)0.001 (2)
C20.040 (3)0.034 (3)0.037 (3)0.006 (2)0.000 (2)0.001 (2)
C30.047 (3)0.045 (3)0.053 (4)0.003 (3)0.005 (3)0.006 (3)
C40.042 (3)0.058 (4)0.058 (4)0.002 (3)0.006 (3)0.003 (3)
C50.058 (4)0.055 (4)0.035 (3)0.014 (3)0.004 (3)0.001 (3)
C60.071 (4)0.033 (3)0.048 (3)0.012 (3)0.003 (3)0.006 (2)
C70.114 (7)0.102 (6)0.046 (4)0.009 (5)0.028 (4)0.015 (4)
C80.072 (5)0.083 (5)0.062 (4)0.032 (4)0.014 (4)0.012 (4)
C90.038 (3)0.049 (3)0.045 (3)0.002 (3)0.007 (2)0.014 (3)
C100.036 (3)0.043 (3)0.036 (3)0.000 (2)0.008 (2)0.005 (2)
C110.062 (4)0.037 (3)0.058 (4)0.001 (3)0.009 (3)0.005 (3)
C120.065 (4)0.050 (4)0.085 (5)0.021 (3)0.019 (4)0.005 (3)
C130.045 (3)0.074 (5)0.062 (4)0.008 (3)0.006 (3)0.000 (4)
C140.035 (3)0.048 (3)0.059 (4)0.002 (2)0.003 (3)0.006 (3)
C150.044 (3)0.078 (5)0.058 (4)0.006 (3)0.004 (3)0.017 (3)
C160.038 (3)0.039 (3)0.043 (3)0.005 (2)0.011 (2)0.001 (2)
C170.070 (4)0.067 (5)0.066 (4)0.024 (4)0.005 (4)0.022 (4)
C180.073 (5)0.083 (5)0.078 (5)0.041 (4)0.005 (4)0.001 (4)
C190.044 (3)0.047 (3)0.070 (4)0.007 (3)0.004 (3)0.002 (3)
C200.054 (4)0.079 (5)0.078 (5)0.000 (4)0.014 (4)0.003 (4)
C210.045 (3)0.030 (3)0.037 (3)0.003 (2)0.003 (2)0.000 (2)
C220.042 (3)0.035 (3)0.035 (3)0.002 (2)0.008 (2)0.003 (2)
C230.061 (4)0.041 (3)0.048 (3)0.002 (3)0.025 (3)0.000 (3)
C240.069 (4)0.050 (4)0.062 (4)0.013 (3)0.025 (3)0.007 (3)
C250.051 (4)0.072 (4)0.043 (3)0.015 (3)0.011 (3)0.004 (3)
C260.054 (4)0.083 (5)0.073 (5)0.013 (4)0.032 (3)0.007 (4)
C270.056 (4)0.053 (4)0.066 (4)0.010 (3)0.021 (3)0.004 (3)
C280.065 (5)0.107 (6)0.072 (5)0.025 (4)0.033 (4)0.002 (4)
C290.041 (3)0.049 (3)0.038 (3)0.012 (3)0.006 (2)0.004 (3)
C300.040 (3)0.033 (3)0.036 (3)0.000 (2)0.008 (2)0.000 (2)
C310.070 (4)0.044 (3)0.051 (4)0.005 (3)0.016 (3)0.007 (3)
C320.083 (5)0.056 (4)0.076 (5)0.003 (4)0.036 (4)0.015 (4)
C330.070 (4)0.063 (4)0.051 (4)0.026 (4)0.021 (3)0.006 (3)
C340.077 (5)0.079 (5)0.042 (4)0.004 (4)0.015 (3)0.018 (3)
C350.058 (4)0.058 (4)0.052 (4)0.010 (3)0.008 (3)0.016 (3)
C360.051 (3)0.058 (4)0.046 (3)0.008 (3)0.010 (3)0.006 (3)
C370.071 (4)0.064 (4)0.039 (3)0.007 (3)0.011 (3)0.004 (3)
C380.055 (4)0.085 (5)0.049 (4)0.005 (4)0.019 (3)0.003 (3)
C390.041 (3)0.041 (3)0.034 (3)0.005 (2)0.004 (2)0.005 (2)
C400.038 (3)0.032 (3)0.037 (3)0.008 (2)0.001 (2)0.001 (2)
C410.072 (4)0.044 (3)0.032 (3)0.003 (3)0.008 (3)0.003 (2)
C420.097 (5)0.056 (4)0.037 (3)0.008 (4)0.000 (3)0.011 (3)
C430.036 (3)0.040 (3)0.030 (3)0.001 (2)0.005 (2)0.001 (2)
C440.049 (3)0.039 (3)0.048 (3)0.001 (2)0.003 (3)0.004 (3)
C450.047 (3)0.051 (4)0.066 (4)0.017 (3)0.006 (3)0.001 (3)
C460.048 (4)0.076 (5)0.049 (4)0.019 (3)0.006 (3)0.001 (3)
C470.039 (3)0.083 (5)0.069 (4)0.006 (3)0.006 (3)0.003 (4)
C480.042 (3)0.050 (4)0.058 (4)0.004 (3)0.004 (3)0.008 (3)
C490.043 (3)0.025 (2)0.039 (3)0.001 (2)0.010 (2)0.003 (2)
C500.037 (3)0.027 (2)0.032 (3)0.000 (2)0.001 (2)0.002 (2)
C510.082 (4)0.040 (3)0.036 (3)0.002 (3)0.004 (3)0.002 (3)
C520.042 (3)0.032 (3)0.032 (3)0.003 (2)0.002 (2)0.002 (2)
C530.034 (3)0.037 (3)0.034 (3)0.002 (2)0.003 (2)0.005 (2)
C540.066 (4)0.070 (4)0.029 (3)0.004 (3)0.004 (3)0.004 (3)
C550.042 (3)0.049 (3)0.045 (3)0.000 (3)0.004 (2)0.019 (3)
C560.059 (4)0.031 (3)0.059 (4)0.008 (3)0.002 (3)0.010 (3)
C570.061 (4)0.037 (3)0.040 (3)0.007 (3)0.004 (3)0.003 (2)
C580.034 (3)0.032 (3)0.034 (3)0.004 (2)0.002 (2)0.002 (2)
C590.045 (3)0.037 (3)0.026 (2)0.001 (2)0.001 (2)0.001 (2)
C600.048 (3)0.035 (3)0.038 (3)0.000 (2)0.001 (2)0.000 (2)
C610.054 (4)0.117 (7)0.113 (7)0.037 (5)0.004 (4)0.012 (6)
C620.076 (5)0.074 (5)0.063 (4)0.012 (4)0.010 (4)0.036 (4)
C630.080 (4)0.048 (3)0.040 (3)0.020 (3)0.015 (3)0.000 (3)
C640.048 (3)0.040 (3)0.025 (2)0.000 (2)0.000 (2)0.001 (2)
C650.066 (4)0.038 (3)0.047 (3)0.004 (3)0.011 (3)0.006 (3)
C660.064 (4)0.053 (4)0.038 (3)0.000 (3)0.001 (3)0.009 (3)
C670.102 (6)0.072 (5)0.026 (3)0.006 (4)0.012 (3)0.000 (3)
C680.049 (4)0.106 (7)0.069 (5)0.021 (4)0.002 (3)0.024 (4)
C690.060 (5)0.136 (9)0.131 (8)0.033 (5)0.026 (5)0.010 (6)
C700.052 (4)0.129 (8)0.121 (7)0.018 (5)0.000 (5)0.038 (6)
C710.128 (8)0.106 (7)0.064 (5)0.043 (6)0.052 (5)0.020 (5)
C720.118 (7)0.081 (5)0.040 (4)0.014 (5)0.003 (4)0.024 (4)
O10.101 (3)0.0233 (18)0.036 (2)0.0015 (19)0.011 (2)0.0008 (15)
O20.051 (2)0.0318 (18)0.0272 (18)0.0022 (16)0.0034 (15)0.0006 (14)
O30.050 (2)0.0314 (18)0.0213 (16)0.0030 (15)0.0010 (14)0.0004 (14)
O40.068 (3)0.0286 (19)0.034 (2)0.0071 (17)0.0054 (17)0.0010 (15)
O50.049 (2)0.043 (2)0.041 (2)0.0083 (17)0.0111 (17)0.0092 (17)
O60.0441 (19)0.0182 (15)0.0361 (18)0.0010 (14)0.0065 (15)0.0013 (13)
O70.053 (2)0.065 (3)0.041 (2)0.003 (2)0.0085 (18)0.012 (2)
O80.063 (3)0.046 (2)0.055 (3)0.001 (2)0.022 (2)0.0132 (19)
O90.0337 (18)0.0331 (18)0.041 (2)0.0005 (15)0.0013 (15)0.0053 (15)
O100.046 (2)0.035 (2)0.057 (2)0.0033 (17)0.0047 (18)0.0074 (18)
O110.060 (3)0.032 (2)0.080 (3)0.0083 (18)0.023 (2)0.020 (2)
O120.0405 (19)0.0297 (17)0.0374 (19)0.0014 (15)0.0004 (15)0.0016 (15)
O130.057 (2)0.051 (2)0.046 (2)0.0154 (19)0.0192 (19)0.0147 (19)
O140.045 (2)0.0278 (18)0.0341 (18)0.0008 (15)0.0069 (15)0.0048 (14)
O150.054 (2)0.0317 (19)0.041 (2)0.0070 (17)0.0220 (17)0.0046 (15)
O160.076 (3)0.028 (2)0.081 (3)0.0099 (19)0.043 (2)0.0059 (19)
O170.038 (2)0.071 (3)0.047 (2)0.015 (2)0.0040 (17)0.006 (2)
O180.040 (2)0.049 (3)0.086 (3)0.0065 (19)0.007 (2)0.014 (2)
Geometric parameters (Å, º) top
Eu1—O82.280 (4)C29—C301.490 (7)
Eu1—O92.354 (3)C30—C351.370 (7)
Eu1—O62.371 (3)C30—C311.382 (8)
Eu1—O22.375 (3)C31—C321.388 (9)
Eu1—O112.387 (4)C31—H310.9300
Eu1—O162.429 (4)C32—C331.371 (9)
Eu1—O152.499 (3)C32—H320.9300
Eu1—O122.593 (3)C33—C341.368 (10)
Eu2—O172.314 (4)C33—C711.511 (9)
Eu2—O122.415 (3)C34—C351.373 (9)
Eu2—O4i2.420 (3)C34—H340.9300
Eu2—O152.424 (3)C35—H350.9300
Eu2—O132.426 (4)C36—C391.371 (8)
Eu2—O102.473 (4)C36—C381.391 (8)
Eu2—O92.548 (3)C36—H360.9300
Eu2—O3i2.561 (3)C37—C381.365 (9)
Eu2—O142.561 (3)C37—C421.364 (9)
Eu2—C58i2.871 (5)C38—H380.9300
Eu2—Eu3i3.9074 (3)C39—C411.378 (7)
Eu3—O18ii2.309 (4)C39—C401.488 (7)
Eu3—O72.320 (4)C40—O131.244 (6)
Eu3—O32.391 (3)C40—O141.292 (6)
Eu3—O12.397 (3)C41—C421.385 (8)
Eu3—O14ii2.398 (3)C41—H410.9300
Eu3—O52.417 (4)C42—H420.9300
Eu3—O22.582 (3)C43—C441.383 (7)
Eu3—O62.596 (3)C43—C481.396 (7)
Eu3—C9ii3.247 (6)C43—C531.474 (7)
Eu3—Eu2ii3.9074 (3)C44—C451.368 (8)
C1—O111.237 (6)C44—H440.9300
C1—O121.275 (6)C45—C461.369 (9)
C1—C21.479 (7)C45—H450.9300
C2—C31.380 (7)C46—C471.387 (9)
C2—C601.397 (7)C46—C611.517 (9)
C3—C41.376 (8)C47—C481.369 (8)
C3—H30.9300C47—H470.9300
C4—C51.380 (8)C48—H480.9300
C4—H40.9300C49—O51.251 (6)
C5—C61.376 (9)C49—O61.293 (6)
C5—C81.516 (8)C50—O11.247 (6)
C6—C601.378 (7)C50—O21.278 (5)
C6—H60.9300C50—C521.471 (7)
C7—C371.522 (9)C51—C541.367 (8)
C7—H7A0.9600C51—C521.389 (7)
C7—H7B0.9600C51—H510.9300
C7—H7C0.9600C52—C571.381 (7)
C8—H8A0.9600C53—O101.241 (6)
C8—H8B0.9600C53—O91.285 (6)
C8—H8C0.9600C54—C551.380 (8)
C9—O181.245 (7)C54—H540.9300
C9—O171.281 (7)C55—C561.378 (8)
C9—C101.481 (7)C55—C621.512 (7)
C9—Eu3i3.247 (6)C56—C571.373 (7)
C10—C141.383 (7)C56—H560.9300
C10—C111.388 (7)C57—H570.9300
C11—C121.395 (9)C58—O41.247 (6)
C11—H110.9300C58—O31.282 (5)
C12—C151.365 (10)C58—C591.484 (6)
C12—H120.9300C58—Eu2ii2.871 (5)
C13—C151.375 (9)C59—C631.375 (7)
C13—C141.376 (8)C59—C641.379 (7)
C13—H130.9300C60—H600.9300
C14—H140.9300C61—H61A0.9600
C15—C701.526 (9)C61—H61B0.9600
C16—C171.369 (8)C61—H61C0.9600
C16—C191.376 (8)C62—H62A0.9600
C16—C491.472 (7)C62—H62B0.9600
C17—C181.374 (10)C62—H62C0.9600
C17—H170.9300C63—C671.380 (8)
C18—C681.376 (11)C63—H630.9300
C18—H180.9300C64—C651.383 (7)
C19—C201.368 (8)C64—H640.9300
C19—H190.9300C65—C661.375 (8)
C20—C681.373 (10)C65—H650.9300
C20—H200.9300C66—C671.374 (9)
C21—O161.241 (6)C66—C721.533 (8)
C21—O151.284 (6)C67—H670.9300
C21—C221.473 (7)C68—C691.526 (9)
C22—C231.375 (7)C69—H69A0.9600
C22—C271.390 (8)C69—H69B0.9600
C23—C241.378 (8)C69—H69C0.9600
C23—H230.9300C70—H70A0.9600
C24—C251.381 (9)C70—H70B0.9600
C24—H240.9300C70—H70C0.9600
C25—C261.373 (10)C71—H71A0.9600
C25—C281.510 (8)C71—H71B0.9600
C26—C271.368 (9)C71—H71C0.9600
C26—H260.9300C72—H72A0.9600
C27—H270.9300C72—H72B0.9600
C28—H28A0.9600C72—H72C0.9600
C28—H28B0.9600O3—Eu2ii2.561 (3)
C28—H28C0.9600O4—Eu2ii2.420 (3)
C29—O71.250 (7)O14—Eu3i2.398 (3)
C29—O81.263 (7)O18—Eu3i2.309 (4)
O8—Eu1—O983.64 (13)C24—C23—H23119.6
O8—Eu1—O679.86 (13)C23—C24—C25120.6 (6)
O9—Eu1—O6150.74 (11)C23—C24—H24119.7
O8—Eu1—O291.40 (14)C25—C24—H24119.7
O9—Eu1—O283.37 (11)C26—C25—C24118.3 (6)
O6—Eu1—O273.11 (11)C26—C25—C28121.5 (7)
O8—Eu1—O1191.38 (16)C24—C25—C28120.2 (7)
O9—Eu1—O11120.41 (12)C27—C26—C25121.5 (6)
O6—Eu1—O1184.16 (12)C27—C26—H26119.2
O2—Eu1—O11156.22 (12)C25—C26—H26119.2
O8—Eu1—O16157.19 (13)C26—C27—C22120.2 (6)
O9—Eu1—O16117.73 (13)C26—C27—H27119.9
O6—Eu1—O1677.40 (12)C22—C27—H27119.9
O2—Eu1—O1683.82 (14)C25—C28—H28A109.5
O11—Eu1—O1684.50 (16)C25—C28—H28B109.5
O8—Eu1—O15150.26 (13)H28A—C28—H28B109.5
O9—Eu1—O1570.67 (12)C25—C28—H28C109.5
O6—Eu1—O15129.70 (11)H28A—C28—H28C109.5
O2—Eu1—O1599.98 (12)H28B—C28—H28C109.5
O11—Eu1—O1589.06 (14)O7—C29—O8123.1 (5)
O16—Eu1—O1552.32 (12)O7—C29—C30119.5 (5)
O8—Eu1—O1291.01 (13)O8—C29—C30117.4 (5)
O9—Eu1—O1269.20 (11)C35—C30—C31118.5 (5)
O6—Eu1—O12134.66 (11)C35—C30—C29120.4 (5)
O2—Eu1—O12152.01 (11)C31—C30—C29121.1 (5)
O11—Eu1—O1251.49 (11)C30—C31—C32120.4 (6)
O16—Eu1—O12103.64 (12)C30—C31—H31119.8
O15—Eu1—O1266.38 (11)C32—C31—H31119.8
O17—Eu2—O1282.49 (13)C33—C32—C31120.9 (7)
O17—Eu2—O4i85.72 (14)C33—C32—H32119.6
O12—Eu2—O4i145.42 (12)C31—C32—H32119.6
O17—Eu2—O1579.09 (14)C34—C33—C32117.9 (6)
O12—Eu2—O1570.39 (12)C34—C33—C71120.8 (7)
O4i—Eu2—O1575.50 (12)C32—C33—C71121.4 (7)
O17—Eu2—O13122.94 (13)C33—C34—C35122.0 (6)
O12—Eu2—O1378.08 (13)C33—C34—H34119.0
O4i—Eu2—O13134.49 (14)C35—C34—H34119.0
O15—Eu2—O13138.70 (12)C30—C35—C34120.4 (6)
O17—Eu2—O10158.87 (13)C30—C35—H35119.8
O12—Eu2—O10117.58 (12)C34—C35—H35119.8
O4i—Eu2—O1073.91 (13)C39—C36—C38119.9 (6)
O15—Eu2—O10100.63 (13)C39—C36—H36120.0
O13—Eu2—O1070.98 (13)C38—C36—H36120.0
O17—Eu2—O9142.48 (13)C38—C37—C42117.3 (6)
O12—Eu2—O969.09 (11)C38—C37—C7120.9 (7)
O4i—Eu2—O9103.77 (11)C42—C37—C7121.8 (6)
O15—Eu2—O968.77 (11)C37—C38—C36121.8 (6)
O13—Eu2—O975.54 (12)C37—C38—H38119.1
O10—Eu2—O951.52 (11)C36—C38—H38119.1
O17—Eu2—O3i80.68 (13)C36—C39—C41119.1 (5)
O12—Eu2—O3i154.27 (10)C36—C39—C40118.8 (5)
O4i—Eu2—O3i51.95 (11)C41—C39—C40122.1 (5)
O15—Eu2—O3i124.62 (11)O13—C40—O14119.4 (5)
O13—Eu2—O3i95.01 (12)O13—C40—C39120.1 (5)
O10—Eu2—O3i82.33 (11)O14—C40—C39120.5 (4)
O9—Eu2—O3i133.67 (10)C39—C41—C42119.5 (6)
O17—Eu2—O1474.37 (13)C39—C41—H41120.3
O12—Eu2—O1487.96 (10)C42—C41—H41120.3
O4i—Eu2—O14119.83 (11)C37—C42—C41122.4 (6)
O15—Eu2—O14147.68 (12)C37—C42—H42118.8
O13—Eu2—O1452.01 (12)C41—C42—H42118.8
O10—Eu2—O14110.79 (12)C44—C43—C48117.4 (5)
O9—Eu2—O14126.36 (11)C44—C43—C53122.7 (5)
O3i—Eu2—O1468.83 (10)C48—C43—C53119.9 (5)
O17—Eu2—C58i83.60 (14)C45—C44—C43121.5 (5)
O12—Eu2—C58i164.41 (13)C45—C44—H44119.2
O4i—Eu2—C58i25.48 (12)C43—C44—H44119.2
O15—Eu2—C58i100.04 (13)C44—C45—C46121.2 (6)
O13—Eu2—C58i115.69 (14)C44—C45—H45119.4
O10—Eu2—C58i75.61 (13)C46—C45—H45119.4
O9—Eu2—C58i119.89 (12)C45—C46—C47118.1 (6)
O3i—Eu2—C58i26.51 (12)C45—C46—C61121.7 (7)
O14—Eu2—C58i95.06 (12)C47—C46—C61120.2 (6)
O17—Eu2—Eu3i62.01 (11)C48—C47—C46121.2 (6)
O12—Eu2—Eu3i117.93 (8)C48—C47—H47119.4
O4i—Eu2—Eu3i83.88 (8)C46—C47—H47119.4
O15—Eu2—Eu3i137.13 (8)C47—C48—C43120.6 (6)
O13—Eu2—Eu3i81.30 (9)C47—C48—H48119.7
O10—Eu2—Eu3i109.24 (9)C43—C48—H48119.7
O9—Eu2—Eu3i153.82 (8)O5—C49—O6119.1 (5)
O3i—Eu2—Eu3i36.39 (7)O5—C49—C16121.4 (5)
O14—Eu2—Eu3i36.57 (7)O6—C49—C16119.3 (4)
C58i—Eu2—Eu3i60.44 (10)O1—C50—O2118.2 (4)
O18ii—Eu3—O777.16 (15)O1—C50—C52120.6 (4)
O18ii—Eu3—O397.52 (14)O2—C50—C52121.2 (4)
O7—Eu3—O380.74 (13)C54—C51—C52121.2 (5)
O18ii—Eu3—O181.90 (16)C54—C51—H51119.4
O7—Eu3—O1120.18 (14)C52—C51—H51119.4
O3—Eu3—O1157.95 (12)C57—C52—C51117.5 (5)
O18ii—Eu3—O14ii78.72 (13)C57—C52—C50122.1 (5)
O7—Eu3—O14ii142.44 (14)C51—C52—C50120.3 (5)
O3—Eu3—O14ii74.37 (11)O10—C53—O9119.6 (4)
O1—Eu3—O14ii83.96 (11)O10—C53—C43121.6 (4)
O18ii—Eu3—O5152.07 (13)O9—C53—C43118.8 (4)
O7—Eu3—O5128.34 (13)C51—C54—C55121.2 (5)
O3—Eu3—O578.45 (12)C51—C54—H54119.4
O1—Eu3—O591.72 (15)C55—C54—H54119.4
O14ii—Eu3—O573.56 (12)C56—C55—C54117.6 (5)
O18ii—Eu3—O2106.11 (13)C56—C55—C62122.4 (6)
O7—Eu3—O282.11 (13)C54—C55—C62119.9 (6)
O3—Eu3—O2146.77 (11)C57—C56—C55121.5 (5)
O1—Eu3—O251.44 (11)C57—C56—H56119.2
O14ii—Eu3—O2132.51 (11)C55—C56—H56119.2
O5—Eu3—O290.41 (12)C56—C57—C52120.8 (5)
O18ii—Eu3—O6155.92 (13)C56—C57—H57119.6
O7—Eu3—O679.13 (13)C52—C57—H57119.6
O3—Eu3—O682.71 (10)O4—C58—O3119.5 (4)
O1—Eu3—O6106.76 (12)O4—C58—C59119.4 (4)
O14ii—Eu3—O6123.89 (11)O3—C58—C59121.0 (4)
O5—Eu3—O651.73 (11)O4—C58—Eu2ii56.6 (2)
O2—Eu3—O666.19 (10)O3—C58—Eu2ii63.1 (2)
O18ii—Eu3—C9ii17.20 (15)C59—C58—Eu2ii174.0 (3)
O7—Eu3—C9ii81.23 (14)C63—C59—C64118.7 (5)
O3—Eu3—C9ii81.71 (13)C63—C59—C58119.8 (5)
O1—Eu3—C9ii94.04 (14)C64—C59—C58121.5 (4)
O14ii—Eu3—C9ii67.84 (13)C6—C60—C2119.6 (5)
O5—Eu3—C9ii140.07 (13)C6—C60—H60120.2
O2—Eu3—C9ii123.32 (13)C2—C60—H60120.2
O6—Eu3—C9ii156.62 (12)C46—C61—H61A109.5
O18ii—Eu3—Eu2ii73.90 (11)C46—C61—H61B109.5
O7—Eu3—Eu2ii105.52 (11)H61A—C61—H61B109.5
O3—Eu3—Eu2ii39.45 (8)C46—C61—H61C109.5
O1—Eu3—Eu2ii121.18 (8)H61A—C61—H61C109.5
O14ii—Eu3—Eu2ii39.50 (8)H61B—C61—H61C109.5
O5—Eu3—Eu2ii86.64 (9)C55—C62—H62A109.5
O2—Eu3—Eu2ii172.01 (7)C55—C62—H62B109.5
O6—Eu3—Eu2ii117.03 (7)H62A—C62—H62B109.5
C9ii—Eu3—Eu2ii56.91 (10)C55—C62—H62C109.5
O11—C1—O12119.6 (5)H62A—C62—H62C109.5
O11—C1—C2120.3 (5)H62B—C62—H62C109.5
O12—C1—C2120.1 (4)C59—C63—C67120.5 (6)
C3—C2—C60118.7 (5)C59—C63—H63119.7
C3—C2—C1119.8 (5)C67—C63—H63119.7
C60—C2—C1121.5 (5)C59—C64—C65120.5 (5)
C4—C3—C2120.9 (5)C59—C64—H64119.7
C4—C3—H3119.6C65—C64—H64119.7
C2—C3—H3119.6C66—C65—C64120.7 (6)
C3—C4—C5120.6 (6)C66—C65—H65119.7
C3—C4—H4119.7C64—C65—H65119.7
C5—C4—H4119.7C67—C66—C65118.6 (5)
C6—C5—C4118.8 (5)C67—C66—C72120.6 (6)
C6—C5—C8120.5 (6)C65—C66—C72120.8 (6)
C4—C5—C8120.7 (6)C66—C67—C63120.9 (6)
C5—C6—C60121.4 (5)C66—C67—H67119.6
C5—C6—H6119.3C63—C67—H67119.6
C60—C6—H6119.3C20—C68—C18117.8 (6)
C37—C7—H7A109.5C20—C68—C69121.3 (8)
C37—C7—H7B109.5C18—C68—C69120.9 (8)
H7A—C7—H7B109.5C68—C69—H69A109.5
C37—C7—H7C109.5C68—C69—H69B109.5
H7A—C7—H7C109.5H69A—C69—H69B109.5
H7B—C7—H7C109.5C68—C69—H69C109.5
C5—C8—H8A109.5H69A—C69—H69C109.5
C5—C8—H8B109.5H69B—C69—H69C109.5
H8A—C8—H8B109.5C15—C70—H70A109.5
C5—C8—H8C109.5C15—C70—H70B109.5
H8A—C8—H8C109.5H70A—C70—H70B109.5
H8B—C8—H8C109.5C15—C70—H70C109.5
O18—C9—O17122.9 (5)H70A—C70—H70C109.5
O18—C9—C10118.1 (5)H70B—C70—H70C109.5
O17—C9—C10118.9 (5)C33—C71—H71A109.5
O18—C9—Eu3i33.3 (3)C33—C71—H71B109.5
O17—C9—Eu3i89.7 (3)H71A—C71—H71B109.5
C10—C9—Eu3i151.3 (4)C33—C71—H71C109.5
C14—C10—C11119.8 (5)H71A—C71—H71C109.5
C14—C10—C9119.5 (5)H71B—C71—H71C109.5
C11—C10—C9120.6 (5)C66—C72—H72A109.5
C10—C11—C12118.2 (6)C66—C72—H72B109.5
C10—C11—H11120.9H72A—C72—H72B109.5
C12—C11—H11120.9C66—C72—H72C109.5
C15—C12—C11122.5 (6)H72A—C72—H72C109.5
C15—C12—H12118.8H72B—C72—H72C109.5
C11—C12—H12118.8C50—O1—Eu3100.0 (3)
C15—C13—C14121.3 (6)C50—O2—Eu1155.5 (3)
C15—C13—H13119.4C50—O2—Eu390.3 (3)
C14—C13—H13119.4Eu1—O2—Eu3105.58 (11)
C13—C14—C10120.1 (6)C58—O3—Eu3146.0 (3)
C13—C14—H14119.9C58—O3—Eu2ii90.4 (3)
C10—C14—H14119.9Eu3—O3—Eu2ii104.16 (11)
C12—C15—C13118.1 (6)C58—O4—Eu2ii97.9 (3)
C12—C15—C70121.0 (7)C49—O5—Eu396.1 (3)
C13—C15—C70120.9 (7)C49—O6—Eu1146.2 (3)
C17—C16—C19119.0 (5)C49—O6—Eu387.0 (3)
C17—C16—C49119.0 (5)Eu1—O6—Eu3105.25 (12)
C19—C16—C49121.9 (5)C29—O7—Eu3142.1 (4)
C16—C17—C18120.7 (7)C29—O8—Eu1137.3 (4)
C16—C17—H17119.6C53—O9—Eu1160.7 (3)
C18—C17—H17119.6C53—O9—Eu291.9 (3)
C17—C18—C68120.8 (7)Eu1—O9—Eu299.29 (12)
C17—C18—H18119.6C53—O10—Eu296.5 (3)
C68—C18—H18119.6C1—O11—Eu199.8 (3)
C20—C19—C16119.8 (6)C1—O12—Eu2145.1 (3)
C20—C19—H19120.1C1—O12—Eu189.0 (3)
C16—C19—H19120.1Eu2—O12—Eu196.48 (11)
C19—C20—C68121.9 (7)C40—O13—Eu297.7 (3)
C19—C20—H20119.1C40—O14—Eu3i140.0 (3)
C68—C20—H20119.1C40—O14—Eu290.1 (3)
O16—C21—O15118.8 (5)Eu3i—O14—Eu2103.94 (12)
O16—C21—C22121.9 (5)C21—O15—Eu2162.4 (3)
O15—C21—C22119.3 (4)C21—O15—Eu191.9 (3)
C23—C22—C27118.5 (5)Eu2—O15—Eu198.80 (12)
C23—C22—C21122.0 (5)C21—O16—Eu196.4 (3)
C27—C22—C21119.6 (5)C9—O17—Eu2146.8 (4)
C22—C23—C24120.9 (6)C9—O18—Eu3i129.5 (4)
C22—C23—H23119.6
Symmetry codes: (i) x+1/2, y1/2, z+1/2; (ii) x+1/2, y+1/2, z+1/2.

Experimental details

Crystal data
Chemical formula[Eu3(C8H7O2)9]
Mr1672.10
Crystal system, space groupMonoclinic, P21/n
Temperature (K)296
a, b, c (Å)13.8417 (4), 22.4998 (7), 21.8170 (7)
β (°) 96.490 (2)
V3)6751.0 (4)
Z4
Radiation typeMo Kα
µ (mm1)2.82
Crystal size (mm)0.25 × 0.21 × 0.20
Data collection
DiffractometerBruker APEXII area-detector
diffractometer
Absorption correctionMulti-scan
(SADABS; Sheldrick, 1996)
Tmin, Tmax0.539, 0.602
No. of measured, independent and
observed [I > 2σ(I)] reflections
67521, 15508, 11353
Rint0.073
(sin θ/λ)max1)0.650
Refinement
R[F2 > 2σ(F2)], wR(F2), S 0.042, 0.108, 1.06
No. of reflections15508
No. of parameters847
H-atom treatmentH-atom parameters constrained
Δρmax, Δρmin (e Å3)0.79, 1.64

Computer programs: APEX2 (Bruker, 2004), SAINT (Bruker, 2004), SHELXS97 (Sheldrick, 2008), SHELXL97 (Sheldrick, 2008), SHELXTL (Sheldrick, 2008).

 

Acknowledgements

The authors acknowledge Guang Dong Ocean University for supporting this work.

References

First citationBruker (2004). APEX2 and SMART. Bruker AXS Inc, Madison, Wisconsin, USA.  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 citationSong, W.-D., Gu, C.-S., Hao, X.-M. & Yan, J.-B. (2008). Acta Cryst. E64, m522.  Web of Science CSD CrossRef IUCr Journals Google Scholar
First citationSong, W.-D., Wang, H. & Ji, L.-L. (2008). Acta Cryst. E64, m548.  Web of Science CSD CrossRef IUCr Journals Google Scholar
First citationSong, W.-D., Wang, H. & Miao, Y.-L. (2008). Acta Cryst. E64, m716.  Web of Science CSD CrossRef IUCr Journals Google Scholar
First citationSong, W.-D., Yan, J.-B. & Hao, X.-M. (2008). Acta Cryst. E64, m919–m920.  Web of Science CSD CrossRef IUCr Journals Google Scholar

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