Poly[diaqua­tris­(μ4-1,3-phenyl­ene­diacetato)­dicerium(III)]

Gao, Z.-Q.; Li, H.-J.; Gu, J.-Z.

doi:10.1107/S1600536811003801

metal-organic compounds

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ISSN: 2056-9890

Volume 67| Part 3| March 2011| Page m310

doi:10.1107/S1600536811003801

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Poly[diaquatris(μ₄-1,3-phenylenediacetato)dicerium(III)]

Zhu-Qing Gao,^a ^* Hong-Jin Li ^a and Jin-Zhong Gu ^b

^aSchool of Chemistry and Biology Engineering, Taiyuan University of Science and Technology, Taiyuan 030021, People's Republic of China, and ^bKey Laboratory of Nonferrous Metal Chemistry and Resources Utilization of Gansu Province, College of Chemistry and Chemical Engineering, Lanzhou University, Lanzhou 730000, People's Republic of China
^*Correspondence e-mail: zqgao2008@163.com

(Received 25 January 2011; accepted 30 January 2011; online 9 February 2011)

In the title coordination polymer, [Ce₂(C₁₀H₈O₄)₃(H₂O)₂]_n, each Ce^III atom is nine-coordinated by eight O atoms from six different 1,3-phenylenediacetate (pda) bivalent anions and one O atom from a coordinated water molecule, forming a distorted tricapped trigonal–prismatic coordination geometry. Eight Ce^III ions and twelve pda ligands form a large [Ce₈(pda)₁₂] ring, and four Ce^III ions and six pda ligands form a small [Ce₄(pda)₆] ring. The rings are further connected by the coordination interactions of pda ligands and Ce^III, generating a three-dimensional supramolecular framework.

Related literature

For the structures and properties of lanthanide coordination compounds, see: Chen et al. (2008 ); Lv et al. (2010 ). For bond lengths and angles in other complexes with nine-coordinate Ce^III, see: Chen et al. (2008); Ramya et al. (2010 ).

Experimental

Crystal data

[Ce₂(C₁₀H₈O₄)₃(H₂O)₂]
M_r = 892.76
Triclinic, $[P \overline 1]$
a = 10.5552 (2) Å
b = 12.0275 (2) Å
c = 12.4612 (2) Å
α = 105.686 (1)°
β = 96.748 (1)°
γ = 92.949 (1)°
V = 1506.77 (5) Å³
Z = 2
Mo Kα radiation
μ = 3.06 mm⁻¹
T = 296 K
0.25 × 0.23 × 0.20 mm

Data collection

Bruker SMART CCD area-detector diffractometer
Absorption correction: multi-scan (SADABS; Bruker, 1997 ) T_min = 0.516, T_max = 0.580
8224 measured reflections
5545 independent reflections
4673 reflections with I > 2σ(I)
R_int = 0.018

Refinement

R[F² > 2σ(F²)] = 0.025
wR(F²) = 0.054
S = 1.01
5545 reflections
431 parameters
6 restraints
H atoms treated by a mixture of independent and constrained refinement
Δρ_max = 0.53 e Å⁻³
Δρ_min = −0.38 e Å⁻³

Table 1
Hydrogen-bond geometry (Å, °)

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
O13—H1W⋯O6ⁱ	0.86 (1)	2.03 (2)	2.860 (4)	161 (4)
O14—H4W⋯O1ⁱⁱ	0.87 (4)	2.23 (2)	3.051 (4)	159 (5)
O14—H3W⋯O9ⁱⁱⁱ	0.86 (4)	2.62 (4)	3.180 (4)	123 (4)
O14—H3W⋯O1^iv	0.86 (4)	2.07 (5)	2.873 (4)	155 (5)
O13—H2W⋯O9	0.86 (5)	2.81 (7)	3.037 (4)	97 (5)
O13—H2W⋯O1ⁱⁱ	0.86 (5)	2.75 (5)	2.898 (4)	91 (3)
Symmetry codes: (i) -x+2, -y+2, -z+2; (ii) -x+2, -y+1, -z+1; (iii) -x+2, -y+2, -z+1; (iv) x, y+1, z.

Data collection: SMART (Bruker, 1997); cell refinement: SAINT (Bruker, 1997); data reduction: SAINT; 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.

Supporting information

Crystal structure: contains datablocks I, global. DOI: 10.1107/S1600536811003801/pv2385sup1.cif

Structure factors: contains datablock I. DOI: 10.1107/S1600536811003801/pv2385Isup2.hkl

checkCIF report

Comment top

The lanthanide coordination polymers have shown not only versatile architectures but also desirable properties, e.g., luminescent, magnetic, catalytic, and gas absorption and separation properties (Chen et al., 2008; Lv et al., 2010). In order to extend the investigation in this field, we have designed and synthesized the title lanthanide coordination polymer by choosing 1,3-phenylendiacetic acid as a functional ligand, and report its crystal structure in this paper.

The asymmetric unit of the title complex (Fig. 1) contains two crystallographically unique Ce^III ions, three 1,3-phenylenediacetate (pda) ligands, and two coordinated water molecules. Both Ce1 and Ce2 are nine-coordinated with a distorted tricapped trigonal-prismatic geometry; the nine coordination sites are occupied by one oxygen atom from one coordinated water molecule and eight O atoms from six different pda ligands.

The Ce—O bond distances in the title complex are in the range 2.445 (2)–2.764 (3) Å, which are comparable to those reported for other Ce—O complexes (Chen et al., 2008; Ramya et al., 2010). The pda ligands adopt two coordination modes of µ₄-hexadentate and µ₄-pentadentate. Eight Ce^III ions and twelve pda ligands form a large [Ce₈(pda)₁₂] ring, and four Ce^III ions and six pda ligands form a small [Ce₄(pda)₆] ring (Fig. 2). The rings are further connected by the coordination interactions of pda ligands and Ce^III to generate a three-dimensional supramolecular framework (Fig. 2).

Related literature top

For the structures and properties of lanthanide coordination compounds, see: Chen et al. (2008); Lv et al. (2010). For bond lengths and angles in other nine-coordinate Ce^III complexes, see: Chen et al. (2008); Ramya et al. (2010).

Experimental top

To a solution of cerium nitrate hexahydrate (0.087 g, 0.2 mmol) in water (5 ml) was added an aqueous solution (5 ml) of the ligand (0.058 g, 0.3 mmol) and a drop of triethylamine. The reactants were sealed in a 25-ml Teflon-lined, stainless-steel Parr bomb. The bomb was heated at 433 K for 3 days. Upon cooling, the solution yielded single crystals of the title complex in ca 70% yield.

Computing details top

Data collection: SMART (Bruker, 1997); cell refinement: SAINT (Bruker, 1997); data reduction: SAINT (Bruker, 1997); 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. A drawing of the asymmetric unit of the title complex, showing the atom-labeling scheme. Displacement ellipsoids are drawn at the 30% probability level.
	Fig. 2. Unit cell packing of the title complex showing three dimensional framework formed by a large [Ce₈(pda)₁₂] and a small [Ce₄(pda)₆] ring.

Poly[diaquatris(µ₄-1,3-phenylenediacetato)dicerium(III)] top

Crystal data top

[Ce₂(C₁₀H₈O₄)₃(H₂O)₂]	Z = 2
M_r = 892.76	F(000) = 872
Triclinic, P1	D_x = 1.968 Mg m⁻³
Hall symbol: -P 1	Mo Kα radiation, λ = 0.71073 Å
a = 10.5552 (2) Å	Cell parameters from 3826 reflections
b = 12.0275 (2) Å	θ = 2.8–28.1°
c = 12.4612 (2) Å	µ = 3.06 mm⁻¹
α = 105.686 (1)°	T = 296 K
β = 96.748 (1)°	Block, colorless
γ = 92.949 (1)°	0.25 × 0.23 × 0.20 mm
V = 1506.77 (5) Å³

Data collection top

Bruker SMART CCD area-detector diffractometer	5545 independent reflections
Radiation source: fine-focus sealed tube	4673 reflections with I > 2σ(I)
Graphite monochromator	R_int = 0.018
ϕ and ω scans	θ_max = 25.5°, θ_min = 1.8°
Absorption correction: multi-scan (SADABS; Bruker, 1997)	h = −12→10
T_min = 0.516, T_max = 0.580	k = −12→14
8224 measured reflections	l = −15→14

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)] = 0.025	Hydrogen site location: inferred from neighbouring sites
wR(F²) = 0.054	H atoms treated by a mixture of independent and constrained refinement
S = 1.01	w = 1/[σ²(F_o²) + (0.0178P)² + 1.4251P] where P = (F_o² + 2F_c²)/3
5545 reflections	(Δ/σ)_max = 0.001
431 parameters	Δρ_max = 0.53 e Å⁻³
6 restraints	Δρ_min = −0.38 e Å⁻³

Crystal data top

[Ce₂(C₁₀H₈O₄)₃(H₂O)₂]	γ = 92.949 (1)°
M_r = 892.76	V = 1506.77 (5) Å³
Triclinic, P1	Z = 2
a = 10.5552 (2) Å	Mo Kα radiation
b = 12.0275 (2) Å	µ = 3.06 mm⁻¹
c = 12.4612 (2) Å	T = 296 K
α = 105.686 (1)°	0.25 × 0.23 × 0.20 mm
β = 96.748 (1)°

Data collection top

Bruker SMART CCD area-detector diffractometer	5545 independent reflections
Absorption correction: multi-scan (SADABS; Bruker, 1997)	4673 reflections with I > 2σ(I)
T_min = 0.516, T_max = 0.580	R_int = 0.018
8224 measured reflections

Refinement top

R[F² > 2σ(F²)] = 0.025	6 restraints
wR(F²) = 0.054	H atoms treated by a mixture of independent and constrained refinement
S = 1.01	Δρ_max = 0.53 e Å⁻³
5545 reflections	Δρ_min = −0.38 e Å⁻³
431 parameters

Special details top

Experimental. Anal. Calcd for C₃₀H₂₈Ce₂O₁₄: C, 40.36; H, 3.16. Found: C, 40.68; H, 3.45.

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
Ce1	0.969885 (19)	0.972983 (17)	0.817505 (16)	0.01890 (6)
Ce2	0.693423 (19)	0.963262 (18)	0.545875 (17)	0.02092 (6)
C1	0.8215 (4)	0.1335 (3)	0.3896 (3)	0.0252 (9)
C2	0.7819 (4)	0.2362 (3)	0.3509 (3)	0.0304 (9)
H2A	0.7153	0.2093	0.2869	0.036*
H2B	0.8547	0.2688	0.3253	0.036*
C3	0.7333 (4)	0.3315 (3)	0.4388 (3)	0.0252 (9)
C4	0.6200 (4)	0.3156 (3)	0.4807 (4)	0.0323 (10)
H4	0.5704	0.2452	0.4533	0.039*
C5	0.5802 (4)	0.4039 (4)	0.5630 (4)	0.0382 (11)
H5	0.5045	0.3925	0.5915	0.046*
C6	0.6527 (4)	0.5085 (4)	0.6023 (4)	0.0420 (11)
H6	0.6257	0.5673	0.6580	0.050*
C7	0.7643 (4)	0.5279 (3)	0.5609 (4)	0.0343 (10)
C8	0.8041 (4)	0.4383 (3)	0.4799 (4)	0.0308 (9)
H8	0.8803	0.4500	0.4523	0.037*
C9	0.8450 (4)	0.6422 (4)	0.6046 (5)	0.0529 (14)
H9A	0.8711	0.6550	0.6846	0.063*
H9B	0.9222	0.6352	0.5689	0.063*
C10	0.7854 (4)	0.7485 (3)	0.5882 (3)	0.0276 (9)
C11	0.6407 (4)	0.9107 (4)	0.8043 (3)	0.0297 (9)
C12	0.5345 (4)	0.8419 (4)	0.8368 (4)	0.0418 (11)
H12A	0.4669	0.8925	0.8557	0.050*
H12B	0.4994	0.7798	0.7706	0.050*
C13	0.5660 (4)	0.7886 (4)	0.9325 (3)	0.0326 (10)
C14	0.6567 (5)	0.7105 (4)	0.9286 (4)	0.0480 (13)
H14	0.7021	0.6910	0.8675	0.058*
C15	0.6803 (6)	0.6612 (5)	1.0154 (5)	0.0671 (17)
H15	0.7429	0.6093	1.0131	0.081*
C16	0.6130 (5)	0.6871 (5)	1.1058 (4)	0.0553 (14)
H16	0.6291	0.6509	1.1625	0.066*
C17	0.5223 (4)	0.7657 (4)	1.1136 (3)	0.0310 (9)
C18	0.4988 (4)	0.8160 (4)	1.0256 (3)	0.0313 (9)
H18	0.4371	0.8688	1.0286	0.038*
C19	0.4520 (4)	0.7942 (4)	1.2146 (3)	0.0329 (10)
H19A	0.4176	0.7223	1.2255	0.040*
H19B	0.3802	0.8372	1.1991	0.040*
C20	0.5324 (4)	0.8637 (4)	1.3227 (3)	0.0295 (9)
C21	0.9293 (4)	1.1831 (3)	0.7398 (3)	0.0243 (8)
C22	0.8979 (4)	1.2973 (3)	0.7189 (4)	0.0355 (10)
H22A	0.8243	1.3228	0.7557	0.043*
H22B	0.8735	1.2846	0.6387	0.043*
C23	1.0052 (4)	1.3934 (3)	0.7592 (3)	0.0282 (9)
C24	1.1166 (4)	1.3857 (4)	0.7107 (4)	0.0380 (11)
H24	1.1258	1.3210	0.6521	0.046*
C25	1.2141 (5)	1.4732 (4)	0.7485 (4)	0.0431 (12)
H25	1.2887	1.4673	0.7151	0.052*
C26	1.2020 (4)	1.5698 (4)	0.8358 (4)	0.0380 (11)
H26	1.2692	1.6277	0.8615	0.046*
C27	1.0919 (4)	1.5808 (3)	0.8847 (3)	0.0284 (9)
C28	0.9938 (4)	1.4923 (3)	0.8464 (3)	0.0307 (9)
H28	0.9189	1.4990	0.8793	0.037*
C29	1.0769 (5)	1.6894 (3)	0.9753 (3)	0.0395 (11)
H29A	1.1572	1.7125	1.0253	0.047*
H29B	1.0124	1.6723	1.0193	0.047*
C30	1.0393 (4)	1.7894 (3)	0.9306 (3)	0.0260 (9)
H1W	1.231 (4)	1.050 (4)	0.9665 (10)	0.056 (16)*
H2W	1.245 (5)	1.061 (5)	0.856 (3)	0.12 (3)*
H3W	0.905 (4)	0.933 (4)	0.408 (3)	0.059 (16)*
H4W	0.965 (3)	0.898 (5)	0.502 (4)	0.11 (3)*
O1	0.9012 (3)	0.0713 (2)	0.3390 (2)	0.0325 (7)
O2	0.7753 (3)	0.1133 (2)	0.4708 (3)	0.0439 (8)
O3	0.8387 (2)	0.8457 (2)	0.6504 (2)	0.0283 (6)
O4	0.6920 (3)	0.7436 (2)	0.5162 (2)	0.0348 (7)
O5	0.6106 (3)	0.9377 (2)	0.7151 (2)	0.0345 (7)
O6	0.7483 (3)	0.9369 (3)	0.8664 (2)	0.0370 (7)
O7	0.6493 (3)	0.8820 (3)	1.3289 (2)	0.0519 (9)
O8	0.4748 (2)	0.8997 (2)	1.4094 (2)	0.0289 (6)
O9	1.0327 (3)	1.1711 (2)	0.7907 (2)	0.0337 (7)
O10	0.8427 (3)	1.0968 (2)	0.7048 (2)	0.0312 (6)
O11	1.0126 (3)	1.7751 (2)	0.8285 (2)	0.0411 (8)
O12	1.0372 (3)	1.8880 (2)	0.9995 (2)	0.0336 (7)
O13	1.2073 (3)	1.0241 (3)	0.8950 (3)	0.0448 (8)
O14	0.8946 (3)	0.8976 (3)	0.4580 (3)	0.0353 (7)

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
Ce1	0.02518 (12)	0.01494 (11)	0.01602 (11)	0.00166 (9)	0.00181 (9)	0.00381 (8)
Ce2	0.02308 (12)	0.02296 (13)	0.01748 (11)	0.00208 (9)	0.00230 (9)	0.00709 (9)
C1	0.027 (2)	0.023 (2)	0.024 (2)	−0.0039 (17)	0.0053 (17)	0.0038 (16)
C2	0.038 (2)	0.031 (2)	0.025 (2)	0.0049 (19)	0.0041 (18)	0.0119 (18)
C3	0.031 (2)	0.020 (2)	0.025 (2)	0.0041 (17)	−0.0026 (17)	0.0075 (16)
C4	0.033 (2)	0.022 (2)	0.042 (3)	0.0004 (18)	0.0025 (19)	0.0112 (19)
C5	0.036 (2)	0.036 (3)	0.046 (3)	0.007 (2)	0.014 (2)	0.014 (2)
C6	0.050 (3)	0.031 (3)	0.041 (3)	0.015 (2)	0.005 (2)	0.002 (2)
C7	0.034 (2)	0.021 (2)	0.043 (3)	0.0067 (18)	−0.010 (2)	0.0059 (19)
C8	0.026 (2)	0.023 (2)	0.046 (3)	0.0031 (17)	0.0003 (19)	0.0162 (19)
C9	0.044 (3)	0.022 (2)	0.079 (4)	0.003 (2)	−0.021 (3)	0.003 (2)
C10	0.028 (2)	0.022 (2)	0.030 (2)	0.0006 (17)	0.0058 (18)	0.0021 (17)
C11	0.030 (2)	0.034 (2)	0.029 (2)	0.0025 (18)	0.0098 (18)	0.0119 (19)
C12	0.035 (2)	0.058 (3)	0.032 (2)	−0.012 (2)	−0.001 (2)	0.017 (2)
C13	0.032 (2)	0.039 (3)	0.025 (2)	−0.007 (2)	−0.0004 (18)	0.0096 (19)
C14	0.061 (3)	0.055 (3)	0.032 (3)	0.018 (3)	0.021 (2)	0.009 (2)
C15	0.092 (4)	0.070 (4)	0.061 (4)	0.050 (3)	0.043 (3)	0.032 (3)
C16	0.081 (4)	0.062 (4)	0.037 (3)	0.031 (3)	0.023 (3)	0.027 (3)
C17	0.037 (2)	0.035 (2)	0.021 (2)	0.0040 (19)	0.0017 (18)	0.0074 (18)
C18	0.030 (2)	0.032 (2)	0.031 (2)	−0.0026 (18)	0.0007 (18)	0.0094 (18)
C19	0.031 (2)	0.041 (3)	0.027 (2)	−0.0002 (19)	0.0084 (18)	0.0084 (19)
C20	0.032 (2)	0.036 (2)	0.021 (2)	0.0065 (19)	0.0037 (17)	0.0073 (18)
C21	0.035 (2)	0.017 (2)	0.020 (2)	0.0015 (17)	0.0055 (17)	0.0031 (16)
C22	0.048 (3)	0.018 (2)	0.036 (3)	0.0030 (19)	−0.006 (2)	0.0066 (18)
C23	0.040 (2)	0.019 (2)	0.027 (2)	0.0046 (18)	0.0004 (18)	0.0106 (17)
C24	0.063 (3)	0.021 (2)	0.032 (2)	0.008 (2)	0.016 (2)	0.0064 (18)
C25	0.049 (3)	0.034 (3)	0.057 (3)	0.009 (2)	0.022 (2)	0.023 (2)
C26	0.043 (3)	0.024 (2)	0.049 (3)	−0.0022 (19)	−0.001 (2)	0.017 (2)
C27	0.049 (3)	0.015 (2)	0.021 (2)	0.0047 (18)	−0.0012 (18)	0.0079 (16)
C28	0.046 (3)	0.023 (2)	0.027 (2)	0.0088 (19)	0.0104 (19)	0.0114 (17)
C29	0.068 (3)	0.025 (2)	0.025 (2)	0.008 (2)	0.001 (2)	0.0085 (18)
C30	0.033 (2)	0.018 (2)	0.026 (2)	0.0004 (17)	0.0030 (17)	0.0054 (17)
O1	0.0348 (16)	0.0353 (17)	0.0328 (16)	0.0105 (13)	0.0152 (13)	0.0126 (13)
O2	0.069 (2)	0.0309 (17)	0.0450 (19)	0.0187 (15)	0.0341 (17)	0.0200 (14)
O3	0.0362 (16)	0.0195 (14)	0.0251 (15)	−0.0021 (12)	−0.0011 (12)	0.0024 (12)
O4	0.0334 (16)	0.0261 (16)	0.0386 (17)	−0.0045 (13)	−0.0105 (14)	0.0061 (13)
O5	0.0346 (16)	0.0446 (18)	0.0312 (16)	0.0050 (14)	0.0096 (13)	0.0195 (14)
O6	0.0315 (16)	0.0486 (19)	0.0291 (16)	−0.0073 (14)	0.0031 (13)	0.0106 (14)
O7	0.0293 (18)	0.090 (3)	0.0269 (17)	−0.0011 (17)	0.0046 (13)	0.0015 (17)
O8	0.0347 (16)	0.0355 (16)	0.0174 (14)	0.0093 (13)	0.0063 (12)	0.0065 (12)
O9	0.0329 (16)	0.0245 (15)	0.0441 (18)	−0.0023 (13)	−0.0017 (14)	0.0139 (13)
O10	0.0388 (16)	0.0208 (15)	0.0312 (16)	−0.0048 (12)	−0.0050 (13)	0.0077 (12)
O11	0.077 (2)	0.0238 (16)	0.0200 (16)	0.0086 (15)	−0.0031 (15)	0.0050 (12)
O12	0.0596 (19)	0.0134 (14)	0.0252 (15)	0.0051 (13)	0.0078 (14)	−0.0002 (12)
O13	0.0350 (18)	0.056 (2)	0.038 (2)	−0.0053 (16)	−0.0049 (16)	0.0100 (18)
O14	0.0346 (17)	0.0395 (19)	0.0366 (18)	0.0087 (14)	0.0080 (15)	0.0165 (15)

Geometric parameters (Å, º) top

Ce1—O3	2.445 (2)	C14—C15	1.371 (7)
Ce1—O12ⁱ	2.448 (2)	C14—H14	0.9300
Ce1—O1ⁱⁱ	2.465 (3)	C15—C16	1.376 (6)
Ce1—O11ⁱⁱⁱ	2.482 (3)	C15—H15	0.9300
Ce1—O6	2.531 (3)	C16—C17	1.372 (6)
Ce1—O13	2.558 (3)	C16—H16	0.9300
Ce1—O9	2.559 (3)	C17—C18	1.393 (5)
Ce1—O10	2.624 (3)	C17—C19	1.505 (5)
Ce1—O12ⁱⁱⁱ	2.764 (3)	C18—H18	0.9300
Ce1—C30ⁱⁱⁱ	3.001 (4)	C19—C20	1.511 (5)
Ce2—O2^iv	2.412 (3)	C19—H19A	0.9700
Ce2—O5	2.462 (3)	C19—H19B	0.9700
Ce2—O8^v	2.494 (3)	C20—O7	1.232 (5)
Ce2—O10	2.504 (3)	C20—O8	1.285 (4)
Ce2—O4	2.565 (3)	C20—Ce2^vii	2.989 (4)
Ce2—O14	2.566 (3)	C21—O9	1.231 (4)
Ce2—O7^vi	2.590 (3)	C21—O10	1.291 (4)
Ce2—O3	2.606 (3)	C21—C22	1.512 (5)
Ce2—O8^vi	2.645 (3)	C22—C23	1.513 (5)
Ce2—C20^vi	2.989 (4)	C22—H22A	0.9700
C1—O2	1.248 (4)	C22—H22B	0.9700
C1—O1	1.264 (4)	C23—C24	1.380 (6)
C1—C2	1.504 (5)	C23—C28	1.398 (5)
C2—C3	1.514 (5)	C24—C25	1.377 (6)
C2—H2A	0.9700	C24—H24	0.9300
C2—H2B	0.9700	C25—C26	1.383 (6)
C3—C4	1.384 (5)	C25—H25	0.9300
C3—C8	1.388 (5)	C26—C27	1.371 (6)
C4—C5	1.384 (6)	C26—H26	0.9300
C4—H4	0.9300	C27—C28	1.389 (5)
C5—C6	1.374 (6)	C27—C29	1.507 (5)
C5—H5	0.9300	C28—H28	0.9300
C6—C7	1.375 (6)	C29—C30	1.507 (5)
C6—H6	0.9300	C29—H29A	0.9700
C7—C8	1.383 (6)	C29—H29B	0.9700
C7—C9	1.510 (6)	C30—O11	1.233 (4)
C8—H8	0.9300	C30—O12	1.266 (4)
C9—C10	1.505 (6)	C30—Ce1^iv	3.001 (4)
C9—H9A	0.9700	O1—Ce1ⁱⁱ	2.465 (3)
C9—H9B	0.9700	O2—Ce2ⁱⁱⁱ	2.412 (3)
C10—O4	1.241 (4)	O7—Ce2^vii	2.590 (3)
C10—O3	1.275 (4)	O8—Ce2^v	2.494 (3)
C11—O5	1.252 (5)	O8—Ce2^vii	2.645 (3)
C11—O6	1.269 (5)	O11—Ce1^iv	2.482 (3)
C11—C12	1.516 (5)	O12—Ce1ⁱ	2.448 (2)
C12—C13	1.511 (6)	O12—Ce1^iv	2.764 (3)
C12—H12A	0.9700	O13—H1W	0.864 (10)
C12—H12B	0.9700	O13—H2W	0.86 (5)
C13—C14	1.372 (6)	O14—H3W	0.86 (4)
C13—C18	1.403 (6)	O14—H4W	0.87 (4)

O3—Ce1—O12ⁱ	144.20 (9)	C7—C8—H8	119.1
O3—Ce1—O1ⁱⁱ	70.91 (9)	C3—C8—H8	119.1
O12ⁱ—Ce1—O1ⁱⁱ	141.62 (10)	C10—C9—C7	117.4 (4)
O3—Ce1—O11ⁱⁱⁱ	76.19 (9)	C10—C9—H9A	107.9
O12ⁱ—Ce1—O11ⁱⁱⁱ	113.90 (9)	C7—C9—H9A	107.9
O1ⁱⁱ—Ce1—O11ⁱⁱⁱ	84.02 (9)	C10—C9—H9B	107.9
O3—Ce1—O6	71.59 (9)	C7—C9—H9B	107.9
O12ⁱ—Ce1—O6	74.44 (9)	H9A—C9—H9B	107.2
O1ⁱⁱ—Ce1—O6	142.49 (9)	O4—C10—O3	120.9 (4)
O11ⁱⁱⁱ—Ce1—O6	88.17 (10)	O4—C10—C9	122.7 (4)
O3—Ce1—O13	138.23 (10)	O3—C10—C9	116.3 (4)
O12ⁱ—Ce1—O13	77.54 (11)	O5—C11—O6	125.7 (4)
O1ⁱⁱ—Ce1—O13	70.46 (10)	O5—C11—C12	114.0 (4)
O11ⁱⁱⁱ—Ce1—O13	84.60 (11)	O6—C11—C12	120.2 (4)
O6—Ce1—O13	145.16 (10)	C13—C12—C11	118.5 (4)
O3—Ce1—O9	111.91 (9)	C13—C12—H12A	107.7
O12ⁱ—Ce1—O9	74.97 (9)	C11—C12—H12A	107.7
O1ⁱⁱ—Ce1—O9	75.76 (9)	C13—C12—H12B	107.7
O11ⁱⁱⁱ—Ce1—O9	153.60 (10)	C11—C12—H12B	107.7
O6—Ce1—O9	118.18 (9)	H12A—C12—H12B	107.1
O13—Ce1—O9	72.83 (10)	C14—C13—C18	118.9 (4)
O3—Ce1—O10	69.88 (8)	C14—C13—C12	121.2 (4)
O12ⁱ—Ce1—O10	93.84 (9)	C18—C13—C12	119.9 (4)
O1ⁱⁱ—Ce1—O10	85.74 (9)	C15—C14—C13	119.7 (4)
O11ⁱⁱⁱ—Ce1—O10	146.06 (9)	C15—C14—H14	120.2
O6—Ce1—O10	80.57 (9)	C13—C14—H14	120.2
O13—Ce1—O10	121.88 (10)	C14—C15—C16	121.2 (5)
O9—Ce1—O10	49.78 (8)	C14—C15—H15	119.4
O3—Ce1—O12ⁱⁱⁱ	118.78 (8)	C16—C15—H15	119.4
O12ⁱ—Ce1—O12ⁱⁱⁱ	65.74 (9)	C17—C16—C15	121.0 (4)
O1ⁱⁱ—Ce1—O12ⁱⁱⁱ	118.34 (9)	C17—C16—H16	119.5
O11ⁱⁱⁱ—Ce1—O12ⁱⁱⁱ	48.57 (8)	C15—C16—H16	119.5
O6—Ce1—O12ⁱⁱⁱ	81.25 (9)	C16—C17—C18	117.7 (4)
O13—Ce1—O12ⁱⁱⁱ	68.50 (10)	C16—C17—C19	119.8 (4)
O9—Ce1—O12ⁱⁱⁱ	129.26 (8)	C18—C17—C19	122.5 (4)
O10—Ce1—O12ⁱⁱⁱ	155.72 (8)	C17—C18—C13	121.5 (4)
O3—Ce1—C30ⁱⁱⁱ	97.22 (9)	C17—C18—H18	119.2
O12ⁱ—Ce1—C30ⁱⁱⁱ	90.49 (10)	C13—C18—H18	119.2
O1ⁱⁱ—Ce1—C30ⁱⁱⁱ	101.08 (10)	C17—C19—C20	114.7 (3)
O11ⁱⁱⁱ—Ce1—C30ⁱⁱⁱ	23.65 (9)	C17—C19—H19A	108.6
O6—Ce1—C30ⁱⁱⁱ	84.57 (10)	C20—C19—H19A	108.6
O13—Ce1—C30ⁱⁱⁱ	75.33 (11)	C17—C19—H19B	108.6
O9—Ce1—C30ⁱⁱⁱ	147.13 (10)	C20—C19—H19B	108.6
O10—Ce1—C30ⁱⁱⁱ	162.79 (9)	H19A—C19—H19B	107.6
O12ⁱⁱⁱ—Ce1—C30ⁱⁱⁱ	24.93 (8)	O7—C20—O8	121.0 (4)
O2^iv—Ce2—O5	140.83 (10)	O7—C20—C19	121.5 (4)
O2^iv—Ce2—O8^v	81.37 (9)	O8—C20—C19	117.4 (3)
O5—Ce2—O8^v	72.26 (9)	O7—C20—Ce2^vii	59.5 (2)
O2^iv—Ce2—O10	74.63 (10)	O8—C20—Ce2^vii	62.15 (19)
O5—Ce2—O10	76.26 (9)	C19—C20—Ce2^vii	170.4 (3)
O8^v—Ce2—O10	88.60 (9)	O9—C21—O10	119.7 (3)
O2^iv—Ce2—O4	140.36 (9)	O9—C21—C22	122.2 (3)
O5—Ce2—O4	77.50 (9)	O10—C21—C22	118.0 (3)
O8^v—Ce2—O4	132.08 (9)	C21—C22—C23	115.1 (3)
O10—Ce2—O4	119.23 (8)	C21—C22—H22A	108.5
O2^iv—Ce2—O14	71.63 (10)	C23—C22—H22A	108.5
O5—Ce2—O14	131.71 (10)	C21—C22—H22B	108.5
O8^v—Ce2—O14	152.91 (9)	C23—C22—H22B	108.5
O10—Ce2—O14	86.39 (10)	H22A—C22—H22B	107.5
O4—Ce2—O14	72.51 (9)	C24—C23—C28	118.4 (4)
O2^iv—Ce2—O7^vi	73.78 (11)	C24—C23—C22	120.8 (4)
O5—Ce2—O7^vi	139.87 (10)	C28—C23—C22	120.8 (4)
O8^v—Ce2—O7^vi	103.64 (9)	C25—C24—C23	120.4 (4)
O10—Ce2—O7^vi	143.78 (10)	C25—C24—H24	119.8
O4—Ce2—O7^vi	77.21 (11)	C23—C24—H24	119.8
O14—Ce2—O7^vi	67.16 (10)	C24—C25—C26	120.5 (4)
O2^iv—Ce2—O3	123.59 (10)	C24—C25—H25	119.7
O5—Ce2—O3	67.37 (9)	C26—C25—H25	119.7
O8^v—Ce2—O3	137.36 (8)	C27—C26—C25	120.5 (4)
O10—Ce2—O3	69.30 (8)	C27—C26—H26	119.7
O4—Ce2—O3	50.05 (8)	C25—C26—H26	119.7
O14—Ce2—O3	64.34 (9)	C26—C27—C28	118.8 (4)
O7^vi—Ce2—O3	115.83 (10)	C26—C27—C29	120.0 (4)
O2^iv—Ce2—O8^vi	98.83 (10)	C28—C27—C29	121.1 (4)
O5—Ce2—O8^vi	96.30 (8)	C27—C28—C23	121.4 (4)
O8^v—Ce2—O8^vi	66.00 (10)	C27—C28—H28	119.3
O10—Ce2—O8^vi	154.56 (8)	C23—C28—H28	119.3
O4—Ce2—O8^vi	81.72 (8)	C27—C29—C30	113.7 (3)
O14—Ce2—O8^vi	115.35 (9)	C27—C29—H29A	108.8
O7^vi—Ce2—O8^vi	49.47 (8)	C30—C29—H29A	108.8
O3—Ce2—O8^vi	130.76 (8)	C27—C29—H29B	108.8
O2^iv—Ce2—C20^vi	87.36 (11)	C30—C29—H29B	108.8
O5—Ce2—C20^vi	118.44 (10)	H29A—C29—H29B	107.7
O8^v—Ce2—C20^vi	86.33 (10)	O11—C30—O12	120.8 (4)
O10—Ce2—C20^vi	161.83 (10)	O11—C30—C29	120.3 (3)
O4—Ce2—C20^vi	76.41 (10)	O12—C30—C29	118.9 (3)
O14—Ce2—C20^vi	90.21 (11)	O11—C30—Ce1^iv	53.8 (2)
O7^vi—Ce2—C20^vi	24.18 (9)	O12—C30—Ce1^iv	67.0 (2)
O3—Ce2—C20^vi	124.77 (10)	C29—C30—Ce1^iv	173.9 (3)
O8^vi—Ce2—C20^vi	25.44 (9)	C1—O1—Ce1ⁱⁱ	148.5 (3)
O2—C1—O1	122.5 (4)	C1—O2—Ce2ⁱⁱⁱ	144.9 (3)
O2—C1—C2	118.9 (3)	C10—O3—Ce1	154.5 (3)
O1—C1—C2	118.6 (3)	C10—O3—Ce2	93.0 (2)
C1—C2—C3	115.1 (3)	Ce1—O3—Ce2	111.37 (9)
C1—C2—H2A	108.5	C10—O4—Ce2	95.8 (2)
C3—C2—H2A	108.5	C11—O5—Ce2	143.3 (3)
C1—C2—H2B	108.5	C11—O6—Ce1	130.5 (2)
C3—C2—H2B	108.5	C20—O7—Ce2^vii	96.4 (2)
H2A—C2—H2B	107.5	C20—O8—Ce2^v	133.5 (2)
C4—C3—C8	118.4 (4)	C20—O8—Ce2^vii	92.4 (2)
C4—C3—C2	122.1 (3)	Ce2^v—O8—Ce2^vii	114.00 (10)
C8—C3—C2	119.5 (4)	C21—O9—Ce1	97.1 (2)
C5—C4—C3	120.4 (4)	C21—O10—Ce2	149.1 (2)
C5—C4—H4	119.8	C21—O10—Ce1	92.4 (2)
C3—C4—H4	119.8	Ce2—O10—Ce1	108.93 (9)
C6—C5—C4	119.8 (4)	C30—O11—Ce1^iv	102.5 (2)
C6—C5—H5	120.1	C30—O12—Ce1ⁱ	156.6 (3)
C4—C5—H5	120.1	C30—O12—Ce1^iv	88.1 (2)
C5—C6—C7	121.2 (4)	Ce1ⁱ—O12—Ce1^iv	114.26 (9)
C5—C6—H6	119.4	Ce1—O13—H1W	120 (3)
C7—C6—H6	119.4	Ce1—O13—H2W	111 (4)
C6—C7—C8	118.4 (4)	H1W—O13—H2W	114 (3)
C6—C7—C9	121.5 (4)	Ce2—O14—H3W	109 (3)
C8—C7—C9	120.1 (4)	Ce2—O14—H4W	119 (4)
C7—C8—C3	121.7 (4)	H3W—O14—H4W	112 (3)

O2—C1—C2—C3	23.6 (5)	O3—C10—O4—Ce2	4.4 (4)
O1—C1—C2—C3	−156.0 (3)	C9—C10—O4—Ce2	−173.2 (4)
C1—C2—C3—C4	−66.9 (5)	O2^iv—Ce2—O4—C10	94.5 (3)
C1—C2—C3—C8	112.7 (4)	O5—Ce2—O4—C10	−73.3 (2)
C8—C3—C4—C5	−1.1 (6)	O8^v—Ce2—O4—C10	−124.9 (2)
C2—C3—C4—C5	178.5 (4)	O10—Ce2—O4—C10	−7.0 (3)
C3—C4—C5—C6	0.8 (7)	O14—Ce2—O4—C10	68.4 (2)
C4—C5—C6—C7	0.5 (7)	O7^vi—Ce2—O4—C10	138.2 (2)
C5—C6—C7—C8	−1.5 (7)	O3—Ce2—O4—C10	−2.4 (2)
C5—C6—C7—C9	−179.4 (4)	O8^vi—Ce2—O4—C10	−171.6 (2)
C6—C7—C8—C3	1.2 (6)	C20^vi—Ce2—O4—C10	163.0 (3)
C9—C7—C8—C3	179.1 (4)	O6—C11—O5—Ce2	37.2 (7)
C4—C3—C8—C7	0.1 (6)	C12—C11—O5—Ce2	−143.5 (4)
C2—C3—C8—C7	−179.5 (4)	O2^iv—Ce2—O5—C11	−99.8 (5)
C6—C7—C9—C10	−62.4 (6)	O8^v—Ce2—O5—C11	−149.8 (5)
C8—C7—C9—C10	119.7 (5)	O10—Ce2—O5—C11	−56.8 (5)
C7—C9—C10—O4	−20.7 (7)	O4—Ce2—O5—C11	67.8 (5)
C7—C9—C10—O3	161.6 (4)	O14—Ce2—O5—C11	15.4 (5)
O5—C11—C12—C13	170.6 (4)	O7^vi—Ce2—O5—C11	119.9 (4)
O6—C11—C12—C13	−10.1 (6)	O3—Ce2—O5—C11	16.2 (4)
C11—C12—C13—C14	−59.1 (6)	O8^vi—Ce2—O5—C11	147.9 (5)
C11—C12—C13—C18	123.2 (4)	C20^vi—Ce2—O5—C11	134.6 (4)
C18—C13—C14—C15	−0.3 (7)	O5—C11—O6—Ce1	−28.8 (6)
C12—C13—C14—C15	−178.1 (5)	C12—C11—O6—Ce1	152.0 (3)
C13—C14—C15—C16	1.1 (9)	O3—Ce1—O6—C11	−25.8 (3)
C14—C15—C16—C17	−1.8 (9)	O12ⁱ—Ce1—O6—C11	142.7 (4)
C15—C16—C17—C18	1.6 (8)	O1ⁱⁱ—Ce1—O6—C11	−24.1 (4)
C15—C16—C17—C19	−178.8 (5)	O11ⁱⁱⁱ—Ce1—O6—C11	−101.8 (4)
C16—C17—C18—C13	−0.7 (6)	O13—Ce1—O6—C11	−179.6 (3)
C19—C17—C18—C13	179.7 (4)	O9—Ce1—O6—C11	79.8 (4)
C14—C13—C18—C17	0.1 (6)	O10—Ce1—O6—C11	46.0 (3)
C12—C13—C18—C17	177.9 (4)	O12ⁱⁱⁱ—Ce1—O6—C11	−150.1 (4)
C16—C17—C19—C20	70.5 (6)	C30ⁱⁱⁱ—Ce1—O6—C11	−125.2 (4)
C18—C17—C19—C20	−109.9 (5)	O8—C20—O7—Ce2^vii	8.7 (4)
C17—C19—C20—O7	−8.7 (6)	C19—C20—O7—Ce2^vii	−168.8 (3)
C17—C19—C20—O8	173.7 (4)	O7—C20—O8—Ce2^v	118.5 (4)
O9—C21—C22—C23	3.2 (6)	C19—C20—O8—Ce2^v	−63.9 (5)
O10—C21—C22—C23	−178.3 (3)	Ce2^vii—C20—O8—Ce2^v	126.9 (3)
C21—C22—C23—C24	65.8 (5)	O7—C20—O8—Ce2^vii	−8.5 (4)
C21—C22—C23—C28	−114.4 (4)	C19—C20—O8—Ce2^vii	169.1 (3)
C28—C23—C24—C25	0.7 (6)	O10—C21—O9—Ce1	−10.2 (4)
C22—C23—C24—C25	−179.5 (4)	C22—C21—O9—Ce1	168.2 (3)
C23—C24—C25—C26	0.2 (7)	O3—Ce1—O9—C21	40.0 (2)
C24—C25—C26—C27	−1.1 (7)	O12ⁱ—Ce1—O9—C21	−102.8 (2)
C25—C26—C27—C28	1.1 (6)	O1ⁱⁱ—Ce1—O9—C21	102.3 (2)
C25—C26—C27—C29	−176.6 (4)	O11ⁱⁱⁱ—Ce1—O9—C21	143.4 (2)
C26—C27—C28—C23	−0.3 (6)	O6—Ce1—O9—C21	−40.1 (2)
C29—C27—C28—C23	177.4 (4)	O13—Ce1—O9—C21	175.9 (2)
C24—C23—C28—C27	−0.6 (6)	O10—Ce1—O9—C21	5.7 (2)
C22—C23—C28—C27	179.6 (4)	O12ⁱⁱⁱ—Ce1—O9—C21	−142.6 (2)
C26—C27—C29—C30	80.0 (5)	C30ⁱⁱⁱ—Ce1—O9—C21	−169.3 (2)
C28—C27—C29—C30	−97.7 (5)	O9—C21—O10—Ce2	−124.7 (4)
C27—C29—C30—O11	6.5 (6)	C22—C21—O10—Ce2	56.8 (6)
C27—C29—C30—O12	−172.7 (4)	O9—C21—O10—Ce1	9.9 (4)
O2—C1—O1—Ce1ⁱⁱ	174.8 (3)	C22—C21—O10—Ce1	−168.6 (3)
C2—C1—O1—Ce1ⁱⁱ	−5.6 (7)	O2^iv—Ce2—O10—C21	−9.9 (5)
O1—C1—O2—Ce2ⁱⁱⁱ	−39.5 (7)	O5—Ce2—O10—C21	−163.4 (5)
C2—C1—O2—Ce2ⁱⁱⁱ	141.0 (4)	O8^v—Ce2—O10—C21	−91.3 (5)
O4—C10—O3—Ce1	158.7 (4)	O4—Ce2—O10—C21	129.7 (5)
C9—C10—O3—Ce1	−23.6 (8)	O14—Ce2—O10—C21	62.0 (5)
O4—C10—O3—Ce2	−4.4 (4)	O7^vi—Ce2—O10—C21	20.1 (6)
C9—C10—O3—Ce2	173.4 (4)	O3—Ce2—O10—C21	125.9 (5)
O12ⁱ—Ce1—O3—C10	−100.0 (6)	O8^vi—Ce2—O10—C21	−88.0 (5)
O1ⁱⁱ—Ce1—O3—C10	100.2 (6)	C20^vi—Ce2—O10—C21	−17.6 (7)
O11ⁱⁱⁱ—Ce1—O3—C10	11.8 (6)	O2^iv—Ce2—O10—Ce1	−141.20 (12)
O6—Ce1—O3—C10	−80.9 (6)	O5—Ce2—O10—Ce1	65.30 (10)
O13—Ce1—O3—C10	77.0 (6)	O8^v—Ce2—O10—Ce1	137.37 (11)
O9—Ce1—O3—C10	165.4 (6)	O4—Ce2—O10—Ce1	−1.62 (14)
O10—Ce1—O3—C10	−167.3 (6)	O14—Ce2—O10—Ce1	−69.27 (11)
O12ⁱⁱⁱ—Ce1—O3—C10	−12.3 (6)	O7^vi—Ce2—O10—Ce1	−111.17 (16)
C30ⁱⁱⁱ—Ce1—O3—C10	0.9 (6)	O3—Ce2—O10—Ce1	−5.37 (9)
O12ⁱ—Ce1—O3—Ce2	61.73 (18)	O8^vi—Ce2—O10—Ce1	140.76 (15)
O1ⁱⁱ—Ce1—O3—Ce2	−98.04 (11)	C20^vi—Ce2—O10—Ce1	−148.9 (3)
O11ⁱⁱⁱ—Ce1—O3—Ce2	173.59 (13)	O3—Ce1—O10—C21	−151.6 (2)
O6—Ce1—O3—Ce2	80.89 (11)	O12ⁱ—Ce1—O10—C21	61.2 (2)
O13—Ce1—O3—Ce2	−121.29 (15)	O1ⁱⁱ—Ce1—O10—C21	−80.3 (2)
O9—Ce1—O3—Ce2	−32.85 (13)	O11ⁱⁱⁱ—Ce1—O10—C21	−153.0 (2)
O10—Ce1—O3—Ce2	−5.56 (9)	O6—Ce1—O10—C21	134.7 (2)
O12ⁱⁱⁱ—Ce1—O3—Ce2	149.44 (9)	O13—Ce1—O10—C21	−16.5 (2)
C30ⁱⁱⁱ—Ce1—O3—Ce2	162.69 (11)	O9—Ce1—O10—C21	−5.4 (2)
O2^iv—Ce2—O3—C10	−128.2 (2)	O12ⁱⁱⁱ—Ce1—O10—C21	92.7 (3)
O5—Ce2—O3—C10	94.8 (2)	C30ⁱⁱⁱ—Ce1—O10—C21	165.4 (3)
O8^v—Ce2—O3—C10	114.8 (2)	O3—Ce1—O10—Ce2	5.70 (9)
O10—Ce2—O3—C10	178.1 (2)	O12ⁱ—Ce1—O10—Ce2	−141.55 (11)
O4—Ce2—O3—C10	2.4 (2)	O1ⁱⁱ—Ce1—O10—Ce2	76.92 (11)
O14—Ce2—O3—C10	−85.8 (2)	O11ⁱⁱⁱ—Ce1—O10—Ce2	4.2 (2)
O7^vi—Ce2—O3—C10	−41.1 (2)	O6—Ce1—O10—Ce2	−68.03 (11)
O8^vi—Ce2—O3—C10	16.5 (3)	O13—Ce1—O10—Ce2	140.74 (11)
C20^vi—Ce2—O3—C10	−15.0 (3)	O9—Ce1—O10—Ce2	151.85 (16)
O2^iv—Ce2—O3—Ce1	59.62 (14)	O12ⁱⁱⁱ—Ce1—O10—Ce2	−110.06 (18)
O5—Ce2—O3—Ce1	−77.39 (11)	C30ⁱⁱⁱ—Ce1—O10—Ce2	−37.3 (4)
O8^v—Ce2—O3—Ce1	−57.48 (16)	O12—C30—O11—Ce1^iv	1.3 (4)
O10—Ce2—O3—Ce1	5.85 (9)	C29—C30—O11—Ce1^iv	−177.9 (3)
O4—Ce2—O3—Ce1	−169.87 (16)	O11—C30—O12—Ce1ⁱ	162.1 (5)
O14—Ce2—O3—Ce1	101.99 (12)	C29—C30—O12—Ce1ⁱ	−18.7 (9)
O7^vi—Ce2—O3—Ce1	146.68 (10)	Ce1^iv—C30—O12—Ce1ⁱ	163.2 (7)
O8^vi—Ce2—O3—Ce1	−155.72 (8)	O11—C30—O12—Ce1^iv	−1.1 (4)
C20^vi—Ce2—O3—Ce1	172.81 (11)	C29—C30—O12—Ce1^iv	178.0 (4)

Symmetry codes: (i) −x+2, −y+3, −z+2; (ii) −x+2, −y+1, −z+1; (iii) x, y−1, z; (iv) x, y+1, z; (v) −x+1, −y+2, −z+2; (vi) x, y, z−1; (vii) x, y, z+1.

Hydrogen-bond geometry (Å, º) top

D—H···A	D—H	H···A	D···A	D—H···A
O13—H1W···O6^viii	0.86 (1)	2.03 (2)	2.860 (4)	161 (4)
O14—H4W···O1ⁱⁱ	0.87 (4)	2.23 (2)	3.051 (4)	159 (5)
O14—H3W···O9^ix	0.86 (4)	2.62 (4)	3.180 (4)	123 (4)
O14—H3W···O1^iv	0.86 (4)	2.07 (5)	2.873 (4)	155 (5)
O13—H2W···O9	0.86 (5)	2.81 (7)	3.037 (4)	97 (5)
O13—H2W···O1ⁱⁱ	0.86 (5)	2.75 (5)	2.898 (4)	91 (3)

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

Experimental details

Crystal data
Chemical formula	[Ce₂(C₁₀H₈O₄)₃(H₂O)₂]
M_r	892.76
Crystal system, space group	Triclinic, P1
Temperature (K)	296
a, b, c (Å)	10.5552 (2), 12.0275 (2), 12.4612 (2)
α, β, γ (°)	105.686 (1), 96.748 (1), 92.949 (1)
V (Å³)	1506.77 (5)
Z	2
Radiation type	Mo Kα
µ (mm⁻¹)	3.06
Crystal size (mm)	0.25 × 0.23 × 0.20

Data collection
Diffractometer	Bruker SMART CCD area-detector diffractometer
Absorption correction	Multi-scan (SADABS; Bruker, 1997)
T_min, T_max	0.516, 0.580
No. of measured, independent and observed [I > 2σ(I)] reflections	8224, 5545, 4673
R_int	0.018
(sin θ/λ)_max (Å⁻¹)	0.606

Refinement
R[F² > 2σ(F²)], wR(F²), S	0.025, 0.054, 1.01
No. of reflections	5545
No. of parameters	431
No. of restraints	6
H-atom treatment	H atoms treated by a mixture of independent and constrained refinement
Δρ_max, Δρ_min (e Å⁻³)	0.53, −0.38

Computer programs: SMART (Bruker, 1997), SAINT (Bruker, 1997), SHELXS97 (Sheldrick, 2008), SHELXL97 (Sheldrick, 2008), SHELXTL (Sheldrick, 2008).

Hydrogen-bond geometry (Å, º) top

D—H···A	D—H	H···A	D···A	D—H···A
O13—H1W···O6ⁱ	0.86 (1)	2.03 (2)	2.860 (4)	161 (4)
O14—H4W···O1ⁱⁱ	0.87 (4)	2.23 (2)	3.051 (4)	159 (5)
O14—H3W···O9ⁱⁱⁱ	0.86 (4)	2.62 (4)	3.180 (4)	123 (4)
O14—H3W···O1^iv	0.86 (4)	2.07 (5)	2.873 (4)	155 (5)
O13—H2W···O9	0.86 (5)	2.81 (7)	3.037 (4)	97 (5)
O13—H2W···O1ⁱⁱ	0.86 (5)	2.75 (5)	2.898 (4)	91 (3)

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

References

Bruker (1997). SMART, SAINT and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA. Google Scholar
Chen, Z., Fang, M., Ren, P., Li, X. H., Zhao, B., Wei, S. & Cheng, P. (2008). Z. Anorg. Allg. Chem. 634, 382–386. Web of Science CSD CrossRef CAS Google Scholar
Lv, D.-Y., Gao, Z.-Q. & Gu, J.-Z. (2010). Acta Cryst. E66, m1694–m1695. Web of Science CSD CrossRef IUCr Journals Google Scholar
Ramya, A. R., Reddy, M. L. P., Cowley, A. H. & Vasudevant, K. V. (2010). Inorg. Chem. 49, 2407–2415. Web of Science CrossRef CAS PubMed Google Scholar
Sheldrick, G. M. (2008). Acta Cryst. A64, 112–122. Web of Science CrossRef CAS IUCr Journals Google Scholar

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Volume 67| Part 3| March 2011| Page m310

doi:10.1107/S1600536811003801

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