Poly[diaqua-μ2-oxalato-di-μ4-terephthalato-diytterbium(III)]

Wang, C.-X.; Li, Z.-F.

doi:10.1107/S1600536810033052

Poly[diaqua-μ₂-oxalato-di-μ₄-terephthalato-diytterbium(III)]

The crystal structure of the title complex, [Yb₂(C₈H₄O₄)₂(C₂O₄)(H₂O)₂]_n, features an extended three-dimensional framework made up of Yb³⁺ ions coordinated by terephthalate ligands, oxalate ligands and water molecules. The Yb³⁺ ion has a distorted square-antiprismatic coordination formed by one aqua ligand, two O atoms from an oxalate ligand and five O atoms belonging to four terephthalate anions. Two symmetry-independent terephthalate anions, as well as the oxalate anion, occupy special positions on inversion centers. The water molecule participates in O—H

O hydrogen bonding with both terephthalate anions.

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Supporting information

	Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536810033052/ya2126sup1.cif Contains datablocks I, global
	Structure factor file (CIF format) https://doi.org/10.1107/S1600536810033052/ya2126Isup2.hkl Contains datablock I

CCDC reference: 792308

checkCIF report

Key indicators

Single-crystal X-ray study
T = 295 K
Mean (C-C) = 0.013 Å
R factor = 0.046
wR factor = 0.120
Data-to-parameter ratio = 12.2

checkCIF/PLATON results

No syntax errors found



Alert level B
PLAT774_ALERT_1_B Suspect X-Y Bond in CIF:   YB     --  YB      ..       4.23 Ang.

Alert level C
SHFSU01_ALERT_2_C  Test not performed. _refine_ls_shift/su_max and
            _refine_ls_shift/esd_max not present.
            Absolute value of the parameter shift to su ratio given   0.001
PLAT029_ALERT_3_C _diffrn_measured_fraction_theta_full Low .......       0.96
PLAT342_ALERT_3_C Low Bond Precision on  C-C Bonds (x 1000) Ang ..         13
PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L=  0.600         59
PLAT041_ALERT_1_C Calc. and Reported SumFormula    Strings  Differ          ?
PLAT042_ALERT_1_C Calc. and Reported MoietyFormula Strings  Differ          ?
PLAT045_ALERT_1_C Calculated and Reported Z Differ by ............       2.00 Ratio
PLAT912_ALERT_4_C Missing # of FCF Reflections Above STh/L=  0.600         17

Alert level G
PLAT154_ALERT_1_G The su's on the Cell Angles are Equal  (x 10000)        400 Deg.

   0 ALERT level A = In general: serious problem
   1 ALERT level B = Potentially serious problem
   8 ALERT level C = Check and explain
   1 ALERT level G = General alerts; check

   5 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   1 ALERT type 2 Indicator that the structure model may be wrong or deficient
   3 ALERT type 3 Indicator that the structure quality may be low
   1 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check

Comment top

The title compound is isostructural with its Lu and Dy analogues (Li & Wang, 2009; Li et al., 2009). As illustrated in Fig. 1, the Yb atoms is coordinated by two oxalate O atoms and five O atoms of four terephthalate anions; an aqua ligand completes a distorted square antiprismatic geometry. The Yb-O distances are in the range of 2.208 (6)–2.790 (6) Å, with an average Yb-O bond of 2.352 Å; these parameters are similar to M-O bonds found in the above mentioned previously reported isostructural complexes.

In the title complex, both symmetry independent terephthalate (tp) anions occupy special positions on the inversion centers; nevertheless they exhibit different modes of coordination of Yb atoms. The tp1 anion (O1 to O2, C1 to C4) functions as chelating-bridging tridentate ligand: two carboxylate oxygen atoms (O1 and O2) chelate one Yb atom; the O1 atom is additionally bonded to another Yb atom; the Yb···Yb separation is 4.232 (1) Å. Two edge-sharing [YbO₈] polyhedra are bridged by the bidentate tp2 (O3 to O4, C5 to C8) ligands thus generating chains along the [010] direction. The chains are further linked by the tp1 and tp2 ligands into three-dimensional framework. The oxalate anion is also located on the inversion center and acts as a tetradentate ligand connecting the edge-sharing [YbO₈] polyhedra along the [100] direction thus even further stabilizing the three-dimensional framework. The aqua ligand provides H-bond donors which participate in H-bonds with terephthalate oxygen atoms O2 and O3.

Related literature top

For isostructural/isotypic structures, derivatives of Lu and Dy, see: Li & Wang (2009) and Li et al. (2009), respectively.

Experimental top

A mixture of YbCl₃.6H₂O (1.00 mmol, 0.39 g), oxalic acid (0.50 mmol, 0.05 g), terephthalic acid (0.50 mmol, 0.09 g), NaOH (2.00 mmol, 0.08 g) and H₂O (10.0 ml) was heated in a 23 ml stainless steel reactor with a Teflon liner at 453 K for 72 h. A small amount of colorless plate-like crystals were filtered and washed with water and acetone.

Structure description top

For isostructural/isotypic structures, derivatives of Lu and Dy, see: Li & Wang (2009) and Li et al. (2009), respectively.

Computing details top

Data collection: APEXII (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

Fig. 1. The fragment of the structure of the title compound, with the atom-numbering scheme. Displacement ellipsoids are drawn at the 30% probability level and H atoms are shown as small circles of arbitrary radii. Symmetry codes: (i) 1 -x, -y, 2 - z; (ii) 1 - x, 1 - y, 2 - z; (iii) -x, 1 - y, 2 - z; (iv) 1 - x, -y, 1 - z; (v) 2 - x, 1 - y, 1 - z.

Poly[diaqua-µ₂-oxalato-di-µ₄-terephthalato-diytterbium(III)] top

Crystal data top

[Yb₂(C₈H₄O₄)₂(C₂O₄)(H₂O)₂]	Z = 1
M_r = 798.36	F(000) = 372
Triclinic, P1	D_x = 2.666 Mg m⁻³
Hall symbol: -p 1	Mo Kα radiation, λ = 0.71073 Å
a = 7.034 (2) Å	Cell parameters from 196 reflections
b = 7.583 (2) Å	θ = 2.1–27.3°
c = 10.213 (3) Å	µ = 9.43 mm⁻¹
α = 75.372 (4)°	T = 295 K
β = 70.851 (4)°	Plate, colorless
γ = 88.126 (4)°	0.24 × 0.15 × 0.05 mm
V = 497.2 (2) Å³

Data collection top

Bruker SMART APEXII CCD area-detector diffractometer	1882 independent reflections
Radiation source: fine-focus sealed tube	1785 reflections with I > 2σ(I)
Graphite monochromator	R_int = 0.025
φ and ω scans	θ_max = 26.0°, θ_min = 2.2°
Absorption correction: multi-scan (SADABS; Sheldrick, 2003)	h = −8→8
T_min = 0.211, T_max = 0.629	k = −8→9
2630 measured reflections	l = −7→12

Refinement top

Refinement on F²	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F² > 2σ(F²)] = 0.046	Hydrogen site location: inferred from neighbouring sites
wR(F²) = 0.120	H-atom parameters constrained
S = 1.06	w = 1/[σ²(F_o²) + (0.0995P)²] where P = (F_o² + 2F_c²)/3
1882 reflections	(Δ/σ)_max < 0.001
154 parameters	Δρ_max = 4.45 e Å⁻³
0 restraints	Δρ_min = −4.21 e Å⁻³

Crystal data top

[Yb₂(C₈H₄O₄)₂(C₂O₄)(H₂O)₂]	γ = 88.126 (4)°
M_r = 798.36	V = 497.2 (2) Å³
Triclinic, P1	Z = 1
a = 7.034 (2) Å	Mo Kα radiation
b = 7.583 (2) Å	µ = 9.43 mm⁻¹
c = 10.213 (3) Å	T = 295 K
α = 75.372 (4)°	0.24 × 0.15 × 0.05 mm
β = 70.851 (4)°

Data collection top

Bruker SMART APEXII CCD area-detector diffractometer	1882 independent reflections
Absorption correction: multi-scan (SADABS; Sheldrick, 2003)	1785 reflections with I > 2σ(I)
T_min = 0.211, T_max = 0.629	R_int = 0.025
2630 measured reflections

Refinement top

R[F² > 2σ(F²)] = 0.046	0 restraints
wR(F²) = 0.120	H-atom parameters constrained
S = 1.06	Δρ_max = 4.45 e Å⁻³
1882 reflections	Δρ_min = −4.21 e Å⁻³
154 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

	x	y	z	U_iso*/U_eq
Yb	0.31071 (4)	0.22186 (3)	1.01498 (3)	0.01504 (19)
C1	0.3854 (12)	0.0294 (11)	0.7912 (9)	0.0203 (16)
C2	0.4409 (12)	0.0093 (11)	0.6438 (9)	0.0202 (16)
C3	0.3229 (16)	0.0805 (15)	0.5592 (11)	0.033 (2)
H3	0.2048	0.1355	0.5976	0.039*
C4	0.6198 (14)	−0.0700 (13)	0.5823 (10)	0.030 (2)
H4	0.7015	−0.1163	0.6370	0.036*
C5	0.7144 (12)	0.4806 (10)	0.7821 (9)	0.0189 (16)
C6	0.8607 (13)	0.4930 (11)	0.6352 (10)	0.0211 (18)
C7	0.8292 (13)	0.3852 (12)	0.5521 (10)	0.0282 (19)
H7	0.7149	0.3066	0.5875	0.034*
C8	1.0353 (13)	0.6070 (12)	0.5820 (10)	0.0275 (19)
H8	1.0602	0.6780	0.6374	0.033*
C9	−0.0833 (11)	0.4309 (10)	1.0574 (9)	0.0194 (16)
O1	0.4818 (8)	−0.0459 (8)	0.8752 (6)	0.0228 (12)
O2	0.2462 (9)	0.1353 (8)	0.8314 (6)	0.0228 (12)
O3	0.6140 (8)	0.3311 (8)	0.8501 (6)	0.0224 (12)
O4	0.6994 (9)	0.6187 (8)	0.8296 (7)	0.0248 (13)
O5	−0.0295 (9)	0.2697 (8)	1.0944 (7)	0.0246 (12)
O6	−0.2511 (8)	0.4911 (8)	1.1074 (7)	0.0254 (13)
O7	0.1351 (8)	−0.0452 (7)	1.1590 (7)	0.0242 (13)
H7B	0.0166	−0.0740	1.1644	0.036*
H7A	0.1979	−0.1429	1.1672	0.036*

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
Yb	0.0191 (3)	0.0156 (3)	0.0129 (3)	0.00119 (15)	−0.00688 (17)	−0.00586 (17)
C1	0.024 (4)	0.017 (4)	0.023 (5)	−0.008 (3)	−0.009 (3)	−0.007 (3)
C2	0.026 (4)	0.020 (4)	0.016 (4)	0.003 (3)	−0.008 (3)	−0.004 (3)
C3	0.036 (5)	0.043 (6)	0.023 (5)	0.015 (4)	−0.014 (4)	−0.012 (4)
C4	0.032 (4)	0.039 (5)	0.025 (5)	0.015 (4)	−0.015 (4)	−0.015 (4)
C5	0.026 (4)	0.017 (4)	0.013 (4)	0.001 (3)	−0.007 (3)	−0.002 (3)
C6	0.026 (4)	0.017 (4)	0.020 (5)	−0.001 (3)	−0.006 (4)	−0.007 (3)
C7	0.030 (4)	0.028 (4)	0.024 (5)	−0.015 (3)	0.000 (4)	−0.010 (4)
C8	0.034 (4)	0.024 (4)	0.028 (5)	−0.014 (3)	−0.007 (4)	−0.014 (4)
C9	0.022 (4)	0.017 (3)	0.021 (4)	0.004 (3)	−0.009 (3)	−0.006 (3)
O1	0.025 (3)	0.031 (3)	0.018 (3)	0.002 (2)	−0.014 (2)	−0.008 (2)
O2	0.029 (3)	0.028 (3)	0.015 (3)	0.007 (2)	−0.008 (3)	−0.013 (2)
O3	0.024 (3)	0.022 (3)	0.020 (3)	0.002 (2)	−0.004 (2)	−0.007 (2)
O4	0.032 (3)	0.026 (3)	0.019 (3)	−0.003 (2)	−0.005 (3)	−0.016 (3)
O5	0.030 (3)	0.020 (3)	0.023 (3)	0.004 (2)	−0.011 (3)	−0.003 (2)
O6	0.023 (3)	0.026 (3)	0.019 (3)	0.007 (2)	−0.004 (2)	0.003 (2)
O7	0.020 (3)	0.017 (3)	0.029 (3)	−0.001 (2)	−0.004 (3)	−0.001 (2)

Geometric parameters (Å, º) top

Yb—O1	2.790 (6)	C3—H3	0.9300
Yb—O1ⁱ	2.315 (6)	C4—H4	0.9300
Yb—O2	2.314 (6)	C5—O4	1.249 (10)
Yb—O3	2.264 (6)	C5—O3	1.264 (10)
Yb—O4ⁱⁱ	2.209 (6)	C5—C6	1.497 (12)
Yb—O5	2.310 (6)	C6—C7	1.387 (13)
Yb—O6ⁱⁱⁱ	2.321 (6)	C6—C8	1.395 (11)
Yb—O7	2.293 (5)	C7—C8^v	1.377 (12)
Yb—Ybⁱ	4.2315 (10)	C7—H7	0.9300
C1—O2	1.274 (10)	C8—H8	0.9300
C1—O1	1.277 (10)	C9—O6	1.245 (10)
C1—C2	1.473 (12)	C9—O5	1.269 (9)
C2—C3	1.390 (13)	C9—C9ⁱⁱⁱ	1.550 (15)
C2—C4	1.401 (12)	O7—H7B	0.85
C3—C4^iv	1.390 (13)	O7—H7A	0.85

O4ⁱⁱ—Yb—O3	98.9 (2)	O1—Yb—Ybⁱ	30.57 (12)
O4ⁱⁱ—Yb—O7	102.6 (2)	C9ⁱⁱⁱ—Yb—Ybⁱ	163.60 (15)
O3—Yb—O7	141.9 (2)	O2—C1—O1	119.6 (8)
O4ⁱⁱ—Yb—O5	79.5 (2)	O2—C1—C2	118.4 (8)
O3—Yb—O5	145.4 (2)	O1—C1—C2	121.8 (7)
O7—Yb—O5	70.19 (19)	C3—C2—C4	118.5 (8)
O4ⁱⁱ—Yb—O2	159.4 (3)	C3—C2—C1	120.3 (8)
O3—Yb—O2	85.5 (2)	C4—C2—C1	121.1 (8)
O7—Yb—O2	85.2 (2)	C4^iv—C3—C2	120.5 (9)
O5—Yb—O2	85.5 (2)	C4^iv—C3—H3	119.8
O4ⁱⁱ—Yb—O1ⁱ	82.5 (2)	C2—C3—H3	119.8
O3—Yb—O1ⁱ	80.7 (2)	C3^iv—C4—C2	121.0 (8)
O7—Yb—O1ⁱ	71.5 (2)	C3^iv—C4—H4	119.5
O5—Yb—O1ⁱ	132.4 (2)	C2—C4—H4	119.5
O2—Yb—O1ⁱ	118.1 (2)	O4—C5—O3	124.2 (7)
O4ⁱⁱ—Yb—O6ⁱⁱⁱ	79.2 (2)	O4—C5—C6	117.8 (7)
O3—Yb—O6ⁱⁱⁱ	75.4 (2)	O3—C5—C6	118.0 (7)
O7—Yb—O6ⁱⁱⁱ	139.4 (2)	C7—C6—C8	118.8 (8)
O5—Yb—O6ⁱⁱⁱ	70.34 (19)	C7—C6—C5	120.4 (8)
O2—Yb—O6ⁱⁱⁱ	82.5 (2)	C8—C6—C5	120.7 (8)
O1ⁱ—Yb—O6ⁱⁱⁱ	147.1 (2)	C8^v—C7—C6	121.0 (7)
O4ⁱⁱ—Yb—O1	150.1 (2)	C8^v—C7—H7	119.5
O3—Yb—O1	70.77 (19)	C6—C7—H7	119.5
O7—Yb—O1	74.9 (2)	C7^v—C8—C6	120.2 (9)
O5—Yb—O1	125.1 (2)	C7^v—C8—H8	119.9
O2—Yb—O1	50.14 (19)	C6—C8—H8	119.9
O1ⁱ—Yb—O1	68.4 (2)	O6—C9—O5	127.2 (8)
O6ⁱⁱⁱ—Yb—O1	122.4 (2)	O6—C9—C9ⁱⁱⁱ	117.0 (8)
O4ⁱⁱ—Yb—C9ⁱⁱⁱ	72.4 (2)	O5—C9—C9ⁱⁱⁱ	115.7 (8)
O3—Yb—C9ⁱⁱⁱ	96.2 (2)	O5—C9—Ybⁱⁱⁱ	166.7 (6)
O7—Yb—C9ⁱⁱⁱ	120.2 (2)	C9ⁱⁱⁱ—C9—Ybⁱⁱⁱ	76.1 (5)
O5—Yb—C9ⁱⁱⁱ	50.05 (19)	C1—O1—Ybⁱ	165.8 (6)
O2—Yb—C9ⁱⁱⁱ	87.2 (2)	C1—O1—Yb	82.4 (5)
O1ⁱ—Yb—C9ⁱⁱⁱ	154.0 (2)	Ybⁱ—O1—Yb	111.6 (2)
O6ⁱⁱⁱ—Yb—C9ⁱⁱⁱ	21.0 (2)	C1—O2—Yb	104.7 (5)
O1—Yb—C9ⁱⁱⁱ	135.19 (19)	C5—O3—Yb	140.5 (5)
O4ⁱⁱ—Yb—Ybⁱ	120.04 (17)	C5—O4—Ybⁱⁱ	157.0 (6)
O3—Yb—Ybⁱ	72.20 (14)	C9—O5—Yb	117.5 (5)
O7—Yb—Ybⁱ	69.81 (14)	C9—O6—Ybⁱⁱⁱ	117.0 (5)
O5—Yb—Ybⁱ	138.46 (14)	Yb—O7—H7B	123.8
O2—Yb—Ybⁱ	80.49 (15)	Yb—O7—H7A	118.8
O1ⁱ—Yb—Ybⁱ	37.81 (15)	H7B—O7—H7A	107.3
O6ⁱⁱⁱ—Yb—Ybⁱ	144.33 (15)

O2—C1—C2—C3	−10.1 (13)	C2—C1—O2—Yb	−155.3 (6)
O1—C1—C2—C3	174.7 (9)	O4ⁱⁱ—Yb—O2—C1	161.8 (6)
O2—C1—C2—C4	165.3 (8)	O3—Yb—O2—C1	58.4 (5)
O1—C1—C2—C4	−9.8 (12)	O7—Yb—O2—C1	−84.5 (5)
C4—C2—C3—C4^iv	1.1 (16)	O5—Yb—O2—C1	−155.0 (5)
C1—C2—C3—C4^iv	176.7 (8)	O1ⁱ—Yb—O2—C1	−18.5 (6)
C3—C2—C4—C3^iv	−1.1 (16)	O6ⁱⁱⁱ—Yb—O2—C1	134.3 (5)
C1—C2—C4—C3^iv	−176.7 (8)	O1—Yb—O2—C1	−10.2 (5)
O4—C5—C6—C7	−152.4 (9)	C9ⁱⁱⁱ—Yb—O2—C1	154.9 (5)
O3—C5—C6—C7	27.6 (12)	Ybⁱ—Yb—O2—C1	−14.2 (5)
O4—C5—C6—C8	30.4 (13)	O4—C5—O3—Yb	30.8 (14)
O3—C5—C6—C8	−149.6 (9)	C6—C5—O3—Yb	−149.2 (7)
C8—C6—C7—C8^v	−1.5 (16)	O4ⁱⁱ—Yb—O3—C5	−46.7 (9)
C5—C6—C7—C8^v	−178.8 (8)	O7—Yb—O3—C5	−170.7 (8)
C7—C6—C8—C7^v	1.5 (16)	O5—Yb—O3—C5	37.6 (11)
C5—C6—C8—C7^v	178.8 (8)	O2—Yb—O3—C5	113.0 (9)
O2—C1—O1—Ybⁱ	171.7 (17)	O1ⁱ—Yb—O3—C5	−127.6 (9)
C2—C1—O1—Ybⁱ	−13 (3)	O6ⁱⁱⁱ—Yb—O3—C5	29.6 (9)
O2—C1—O1—Yb	−16.0 (7)	O1—Yb—O3—C5	162.2 (9)
C2—C1—O1—Yb	159.1 (7)	C9ⁱⁱⁱ—Yb—O3—C5	26.3 (9)
O4ⁱⁱ—Yb—O1—C1	−164.4 (5)	Ybⁱ—Yb—O3—C5	−165.5 (9)
O3—Yb—O1—C1	−90.6 (5)	O3—C5—O4—Ybⁱⁱ	50.2 (19)
O7—Yb—O1—C1	106.3 (5)	C6—C5—O4—Ybⁱⁱ	−129.7 (12)
O5—Yb—O1—C1	54.5 (5)	O6—C9—O5—Yb	−166.9 (7)
O2—Yb—O1—C1	9.9 (4)	C9ⁱⁱⁱ—C9—O5—Yb	9.8 (12)
O1ⁱ—Yb—O1—C1	−178.0 (6)	Ybⁱⁱⁱ—C9—O5—Yb	160 (2)
O6ⁱⁱⁱ—Yb—O1—C1	−33.1 (5)	O4ⁱⁱ—Yb—O5—C9	69.9 (6)
C9ⁱⁱⁱ—Yb—O1—C1	−11.5 (6)	O3—Yb—O5—C9	−20.5 (8)
Ybⁱ—Yb—O1—C1	−178.0 (6)	O7—Yb—O5—C9	177.6 (7)
O4ⁱⁱ—Yb—O1—Ybⁱ	13.6 (5)	O2—Yb—O5—C9	−95.9 (6)
O3—Yb—O1—Ybⁱ	87.4 (3)	O1ⁱ—Yb—O5—C9	139.5 (6)
O7—Yb—O1—Ybⁱ	−75.7 (3)	O6ⁱⁱⁱ—Yb—O5—C9	−12.3 (6)
O5—Yb—O1—Ybⁱ	−127.5 (2)	O1—Yb—O5—C9	−128.6 (6)
O2—Yb—O1—Ybⁱ	−172.1 (4)	C9ⁱⁱⁱ—Yb—O5—C9	−5.8 (7)
O1ⁱ—Yb—O1—Ybⁱ	0.000 (2)	Ybⁱ—Yb—O5—C9	−166.1 (5)
O6ⁱⁱⁱ—Yb—O1—Ybⁱ	144.9 (2)	O5—C9—O6—Ybⁱⁱⁱ	−169.3 (7)
C9ⁱⁱⁱ—Yb—O1—Ybⁱ	166.5 (2)	C9ⁱⁱⁱ—C9—O6—Ybⁱⁱⁱ	14.1 (12)
O1—C1—O2—Yb	19.9 (9)

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

Hydrogen-bond geometry (Å, º) top

D—H···A	D—H	H···A	D···A	D—H···A
O7—H7A···O3ⁱ	0.85	1.92	2.751 (6)	167
O7—H7B···O2^vi	0.85	1.91	2.754 (6)	178

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

Experimental details

Crystal data
Chemical formula	[Yb₂(C₈H₄O₄)₂(C₂O₄)(H₂O)₂]
M_r	798.36
Crystal system, space group	Triclinic, P1
Temperature (K)	295
a, b, c (Å)	7.034 (2), 7.583 (2), 10.213 (3)
α, β, γ (°)	75.372 (4), 70.851 (4), 88.126 (4)
V (Å³)	497.2 (2)
Z	1
Radiation type	Mo Kα
µ (mm⁻¹)	9.43
Crystal size (mm)	0.24 × 0.15 × 0.05

Data collection
Diffractometer	Bruker SMART APEXII CCD area-detector
Absorption correction	Multi-scan (SADABS; Sheldrick, 2003)
T_min, T_max	0.211, 0.629
No. of measured, independent and observed [I > 2σ(I)] reflections	2630, 1882, 1785
R_int	0.025
(sin θ/λ)_max (Å⁻¹)	0.617

Refinement
R[F² > 2σ(F²)], wR(F²), S	0.046, 0.120, 1.06
No. of reflections	1882
No. of parameters	154
H-atom treatment	H-atom parameters constrained
Δρ_max, Δρ_min (e Å⁻³)	4.45, −4.21

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

Selected bond lengths (Å) top

Yb—O1	2.790 (6)	Yb—O4ⁱⁱ	2.209 (6)
Yb—O1ⁱ	2.315 (6)	Yb—O5	2.310 (6)
Yb—O2	2.314 (6)	Yb—O6ⁱⁱⁱ	2.321 (6)
Yb—O3	2.264 (6)	Yb—O7	2.293 (5)

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

Hydrogen-bond geometry (Å, º) top

D—H···A	D—H	H···A	D···A	D—H···A
O7—H7A···O3ⁱ	0.85	1.92	2.751 (6)	167
O7—H7B···O2^iv	0.85	1.91	2.754 (6)	178

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

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