Poly[[diaqua­tris(μ-benzene-1,4-dioxy­diacetato)dilanthanum(III)] dihydrate]

The title lanthanum coordination polymer, {[La₂(C₁₀H₈O₆)₃(H₂O)₂]·2H₂O}_n, was synthesized by reacting lanthanum(III) chloride and the flexible ligand benzene-1,4-dioxy­diacetic acid under hydro­thermal conditions. Single-crystal X-ray studies reveal that self-assembly between the bridging ligands and metal ions results in a three-dimensional coordination polymer.

Key indicators

• Single-crystal X-ray study
• T = 173 K
• Mean [sigma](C-C) = 0.005 Å
• R factor = 0.025
• wR factor = 0.064
• Data-to-parameter ratio = 13.9

checkCIF/PLATON results

No syntax errors found



Alert level B
PLAT395_ALERT_2_B Deviating  X-O-Y  Angle from 120 Deg for     O2W     163.80 Deg.

Alert level C
PLAT041_ALERT_1_C Calc. and Rep. SumFormula Strings    Differ ....          ?
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ ....          ?
PLAT045_ALERT_1_C Calculated and Reported Z Differ by ............       2.00 Ratio
PLAT062_ALERT_4_C Rescale T(min) & T(max) by .....................       0.96
PLAT125_ALERT_4_C No _symmetry_space_group_name_Hall Given .......          ?
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for         O2
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        La1
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         17
            LA1 -C11 -C12 -O9    -29.00  6.00   3.657   1.555   1.555   1.555
PLAT720_ALERT_4_C Number of Unusual/Non-Standard Label(s) ........          4
PLAT764_ALERT_4_C Overcomplete CIF Bond List Detected (Rep/Expd) .       1.27 Ratio

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

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

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Computing details

Data collection: SMART (Bruker, 2001); cell refinement: SAINT (Bruker, 2001); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ORTEPII (Johnson, 1976); software used to prepare material for publication: SHELXL97.

poly[[diaquatris(µ-benzene-1,4-dioxydiacetato)dilanthanum(III)] dihydrate]

Crystal data

[La2(C10H8O6)3(H2O)2]·2H2O	F(000) = 1004
Mr = 1022.38	Dx = 1.957 Mg m^−3
Monoclinic, P21/c	Mo Kα radiation, λ = 0.71073 Å
a = 12.1493 (8) Å	Cell parameters from 3216 reflections
b = 16.9135 (11) Å	θ = 2.4–25.6°
c = 8.9264 (6) Å	µ = 2.52 mm^−1
β = 108.918 (1)°	T = 173 K
V = 1735.2 (2) Å^3	Block, colorless
Z = 2	0.36 × 0.27 × 0.21 mm

Data collection

Bruker APEX area-detector diffractometer	3393 independent reflections
Radiation source: fine-focus sealed tube	3160 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.025
φ and ω scans	θmax = 26.0°, θmin = 2.1°
Absorption correction: multi-scan (SADABS; Sheldrick, 1996)	h = −14→10
Tmin = 0.465, Tmax = 0.614	k = −19→20
9349 measured reflections	l = −10→11

Refinement

Refinement on F^2	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F^2 > 2σ(F^2)] = 0.026	Hydrogen site location: inferred from neighbouring sites
wR(F^2) = 0.065	H-atom parameters constrained
S = 1.02	w = 1/[σ^2(Fo^2) + (0.0342P)^2 + 1.6475P] where P = (Fo^2 + 2Fc^2)/3
3393 reflections	(Δ/σ)max = 0.001
244 parameters	Δρmax = 0.64 e Å^−3
0 restraints	Δρmin = −0.61 e Å^−3

Special details

Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes.

Refinement. Refinement of F² against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F², conventional R-factors R are based on F, with F set to zero for negative F². The threshold expression of F² > σ(F²) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F² are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq
La1	0.451355 (14)	0.116293 (8)	0.930015 (18)	0.01824 (7)
C1	0.1639 (2)	0.20675 (16)	0.7233 (3)	0.0223 (6)
C2	0.1105 (3)	0.13654 (17)	0.7331 (4)	0.0273 (7)
H2A	0.1442	0.1021	0.8166	0.033*
C3	0.0059 (3)	0.11665 (16)	0.6182 (4)	0.0289 (7)
H3A	−0.0301	0.0688	0.6243	0.035*
C4	−0.0444 (2)	0.16832 (17)	0.4950 (3)	0.0235 (6)
C5	0.0082 (3)	0.24035 (18)	0.4889 (4)	0.0301 (7)
H5A	−0.0270	0.2759	0.4080	0.036*
C6	0.1132 (3)	0.25992 (18)	0.6028 (4)	0.0300 (7)
H6A	0.1490	0.3081	0.5982	0.036*
C7	−0.1939 (3)	0.07613 (17)	0.3759 (4)	0.0291 (7)
H7A	−0.2153	0.0702	0.4710	0.035*
H7B	−0.1347	0.0370	0.3795	0.035*
C8	−0.2995 (3)	0.06066 (17)	0.2327 (3)	0.0241 (6)
C9	0.2919 (3)	0.30005 (16)	0.8979 (3)	0.0261 (6)
H9A	0.2215	0.3213	0.9114	0.031*
H9B	0.3138	0.3335	0.8240	0.031*
C10	0.3882 (3)	0.29828 (16)	1.0547 (3)	0.0230 (6)
C11	0.6468 (3)	−0.02720 (17)	0.8422 (4)	0.0272 (7)
C12	0.6977 (3)	0.0134 (2)	0.7295 (5)	0.0414 (8)
H12A	0.6435	0.0087	0.6228	0.050*
H12B	0.7069	0.0692	0.7556	0.050*
C13	0.9016 (3)	0.0434 (2)	0.9923 (5)	0.0405 (8)
H13A	0.8357	0.0725	0.9881	0.049*
C14	0.8997 (3)	−0.0072 (2)	0.8692 (4)	0.0363 (8)
C15	0.9981 (3)	−0.0503 (2)	0.8789 (4)	0.0395 (8)
H15A	0.9970	−0.0847	0.7972	0.047*
O1	0.27166 (18)	0.22062 (11)	0.8378 (2)	0.0270 (5)
O2	0.4519 (2)	0.23833 (13)	1.0892 (3)	0.0409 (6)
O3	0.3995 (2)	0.35830 (12)	1.1394 (2)	0.0306 (5)
O4	−0.14704 (19)	0.15269 (12)	0.3739 (2)	0.0302 (5)
O5	−0.3607 (2)	0.11713 (11)	0.1610 (3)	0.0340 (6)
O6	−0.31717 (18)	−0.01112 (12)	0.2014 (3)	0.0309 (5)
O7	0.56020 (19)	0.00569 (13)	0.8668 (3)	0.0304 (5)
O8	0.6858 (2)	−0.09145 (13)	0.9033 (3)	0.0336 (5)
O9	0.8067 (2)	−0.01776 (16)	0.7329 (3)	0.0453 (6)
O1W	0.5982 (2)	0.21104 (16)	0.8726 (3)	0.0559 (8)
H1WA	0.5769	0.2571	0.8370	0.067*
H1WB	0.6106	0.1837	0.9562	0.067*
O2W	0.7481 (3)	0.28047 (18)	0.1399 (4)	0.0653 (9)
H2WA	0.7078	0.2828	0.2018	0.078*
H2WB	0.8012	0.2864	0.0979	0.078*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
La1	0.01635 (11)	0.01600 (10)	0.01853 (11)	−0.00026 (6)	0.00038 (7)	0.00010 (5)
C1	0.0148 (14)	0.0255 (14)	0.0207 (14)	0.0017 (11)	−0.0023 (11)	−0.0045 (11)
C2	0.0252 (17)	0.0229 (14)	0.0258 (15)	0.0017 (12)	−0.0029 (13)	0.0018 (12)
C3	0.0242 (17)	0.0241 (15)	0.0314 (17)	−0.0044 (12)	−0.0009 (14)	0.0021 (12)
C4	0.0170 (15)	0.0254 (14)	0.0233 (14)	−0.0002 (11)	−0.0002 (11)	−0.0025 (12)
C5	0.0257 (17)	0.0283 (15)	0.0265 (16)	−0.0030 (13)	−0.0051 (13)	0.0069 (12)
C6	0.0277 (18)	0.0236 (15)	0.0331 (17)	−0.0064 (13)	0.0023 (14)	0.0026 (13)
C7	0.0260 (17)	0.0235 (14)	0.0288 (16)	−0.0060 (12)	−0.0037 (13)	0.0022 (12)
C8	0.0193 (15)	0.0280 (15)	0.0217 (14)	−0.0044 (12)	0.0022 (12)	0.0005 (12)
C9	0.0289 (17)	0.0183 (13)	0.0254 (15)	−0.0023 (12)	0.0010 (13)	−0.0041 (11)
C10	0.0245 (16)	0.0211 (13)	0.0221 (14)	−0.0019 (12)	0.0058 (12)	−0.0023 (11)
C11	0.0251 (16)	0.0276 (15)	0.0281 (16)	0.0011 (13)	0.0077 (13)	−0.0011 (12)
C12	0.037 (2)	0.044 (2)	0.046 (2)	0.0013 (16)	0.0171 (17)	0.0124 (17)
C13	0.036 (2)	0.0395 (18)	0.053 (2)	0.0001 (15)	0.0250 (18)	−0.0003 (17)
C14	0.037 (2)	0.0363 (18)	0.044 (2)	−0.0082 (15)	0.0237 (17)	0.0038 (15)
C15	0.042 (2)	0.0354 (17)	0.049 (2)	−0.0069 (16)	0.0258 (18)	−0.0052 (16)
O1	0.0205 (11)	0.0202 (10)	0.0299 (11)	0.0003 (8)	−0.0063 (9)	−0.0074 (8)
O2	0.0381 (14)	0.0287 (12)	0.0379 (13)	0.0106 (10)	−0.0124 (11)	−0.0137 (10)
O3	0.0376 (13)	0.0236 (10)	0.0242 (11)	0.0021 (9)	0.0013 (10)	−0.0063 (9)
O4	0.0244 (12)	0.0240 (10)	0.0299 (11)	−0.0063 (9)	−0.0082 (9)	0.0037 (9)
O5	0.0302 (14)	0.0258 (11)	0.0321 (13)	−0.0017 (9)	−0.0089 (11)	0.0030 (9)
O6	0.0250 (12)	0.0243 (10)	0.0339 (12)	−0.0062 (9)	−0.0033 (10)	−0.0025 (9)
O7	0.0237 (12)	0.0350 (12)	0.0310 (12)	0.0060 (9)	0.0068 (10)	−0.0008 (9)
O8	0.0383 (14)	0.0271 (11)	0.0412 (13)	0.0082 (10)	0.0213 (11)	0.0065 (10)
O9	0.0376 (15)	0.0605 (16)	0.0445 (15)	−0.0084 (12)	0.0224 (13)	−0.0007 (12)
O1W	0.0558 (18)	0.0596 (17)	0.0378 (14)	−0.0291 (14)	−0.0046 (13)	0.0194 (13)
O2W	0.058 (2)	0.075 (2)	0.0552 (18)	−0.0225 (16)	0.0078 (15)	0.0125 (16)

Geometric parameters (Å, º)

La1—O6^i	2.4409 (19)	C9—O1	1.438 (3)
La1—O7	2.460 (2)	C9—C10	1.505 (4)
La1—O3^ii	2.500 (2)	C9—H9A	0.9700
La1—O2	2.505 (2)	C9—H9B	0.9700
La1—O5^iii	2.532 (2)	C10—O3	1.247 (3)
La1—O1W	2.570 (2)	C10—O2	1.252 (4)
La1—O8^iv	2.603 (2)	C11—O8	1.239 (4)
La1—O1	2.719 (2)	C11—O7	1.270 (4)
La1—O7^iv	2.780 (2)	C11—C12	1.507 (5)
La1—C11^iv	3.065 (3)	C11—La1^iv	3.065 (3)
La1—La1^iv	4.1804 (4)	C12—O9	1.416 (4)
La1—H1WB	2.1919	C12—H12A	0.9700
C1—C2	1.369 (4)	C12—H12B	0.9700
C1—C6	1.384 (4)	C13—C15^v	1.383 (5)
C1—O1	1.395 (3)	C13—C14	1.388 (5)
C2—C3	1.391 (4)	C13—H13A	0.9300
C2—H2A	0.9300	C14—O9	1.377 (4)
C3—C4	1.383 (4)	C14—C15	1.378 (5)
C3—H3A	0.9300	C15—C13^v	1.383 (5)
C4—C5	1.385 (4)	C15—H15A	0.9300
C4—O4	1.385 (3)	O3—La1^vi	2.500 (2)
C5—C6	1.389 (5)	O5—La1^vii	2.532 (2)
C5—H5A	0.9300	O6—La1^i	2.4409 (19)
C6—H6A	0.9300	O7—La1^iv	2.780 (2)
C7—O4	1.417 (3)	O8—La1^iv	2.603 (2)
C7—C8	1.512 (4)	O1W—H1WA	0.8500
C7—H7A	0.9700	O1W—H1WB	0.8488
C7—H7B	0.9700	O2W—H2WA	0.8503
C8—O6	1.249 (3)	O2W—H2WB	0.8499
C8—O5	1.251 (4)
O6^i—La1—O7	70.15 (7)	C1—C2—H2A	120.0
O6^i—La1—O3^ii	73.88 (7)	C3—C2—H2A	120.0
O7—La1—O3^ii	82.31 (7)	C4—C3—C2	119.8 (3)
O6^i—La1—O2	138.73 (8)	C4—C3—H3A	120.1
O7—La1—O2	148.66 (7)	C2—C3—H3A	120.1
O3^ii—La1—O2	113.61 (7)	C3—C4—C5	119.8 (3)
O6^i—La1—O5^iii	132.90 (6)	C3—C4—O4	123.6 (3)
O7—La1—O5^iii	77.35 (7)	C5—C4—O4	116.6 (3)
O3^ii—La1—O5^iii	134.52 (8)	C4—C5—C6	120.5 (3)
O2—La1—O5^iii	72.40 (7)	C4—C5—H5A	119.8
O6^i—La1—O1W	139.22 (8)	C6—C5—H5A	119.8
O7—La1—O1W	88.22 (9)	C1—C6—C5	119.0 (3)
O3^ii—La1—O1W	69.13 (8)	C1—C6—H6A	120.5
O2—La1—O1W	74.04 (10)	C5—C6—H6A	120.5
O5^iii—La1—O1W	69.99 (8)	O4—C7—C8	112.5 (2)
O6^i—La1—O8^iv	72.86 (8)	O4—C7—H7A	109.1
O7—La1—O8^iv	119.98 (7)	C8—C7—H7A	109.1
O3^ii—La1—O8^iv	128.91 (8)	O4—C7—H7B	109.1
O2—La1—O8^iv	72.12 (8)	C8—C7—H7B	109.1
O5^iii—La1—O8^iv	96.38 (8)	H7A—C7—H7B	107.8
O1W—La1—O8^iv	146.00 (9)	O6—C8—O5	126.7 (3)
O6^i—La1—O1	88.96 (7)	O6—C8—C7	113.2 (3)
O7—La1—O1	149.63 (7)	O5—C8—C7	120.1 (3)
O3^ii—La1—O1	70.54 (7)	O1—C9—C10	108.4 (2)
O2—La1—O1	59.41 (6)	O1—C9—H9A	110.0
O5^iii—La1—O1	131.80 (6)	C10—C9—H9A	110.0
O1W—La1—O1	94.36 (8)	O1—C9—H9B	110.0
O8^iv—La1—O1	71.20 (7)	C10—C9—H9B	110.0
O6^i—La1—O7^iv	66.77 (7)	H9A—C9—H9B	108.4
O7—La1—O7^iv	74.32 (8)	O3—C10—O2	124.9 (3)
O3^ii—La1—O7^iv	139.05 (6)	O3—C10—C9	116.6 (2)
O2—La1—O7^iv	103.46 (8)	O2—C10—C9	118.5 (2)
O5^iii—La1—O7^iv	72.30 (7)	O8—C11—O7	121.9 (3)
O1W—La1—O7^iv	141.06 (7)	O8—C11—C12	120.8 (3)
O8^iv—La1—O7^iv	47.96 (6)	O7—C11—C12	117.3 (3)
O1—La1—O7^iv	118.28 (6)	O8—C11—La1^iv	56.82 (16)
O6^i—La1—C11^iv	67.52 (8)	O7—C11—La1^iv	65.09 (17)
O7—La1—C11^iv	97.58 (8)	C12—C11—La1^iv	177.5 (2)
O3^ii—La1—C11^iv	138.70 (8)	O9—C12—C11	113.6 (3)
O2—La1—C11^iv	87.64 (8)	O9—C12—H12A	108.9
O5^iii—La1—C11^iv	84.54 (8)	C11—C12—H12A	108.9
O1W—La1—C11^iv	152.01 (8)	O9—C12—H12B	108.9
O8^iv—La1—C11^iv	23.48 (7)	C11—C12—H12B	108.9
O1—La1—C11^iv	94.19 (7)	H12A—C12—H12B	107.7
O7^iv—La1—C11^iv	24.48 (7)	C15^v—C13—C14	119.6 (3)
O6^i—La1—La1^iv	62.48 (5)	C15^v—C13—H13A	120.2
O7—La1—La1^iv	39.82 (5)	C14—C13—H13A	120.2
O3^ii—La1—La1^iv	115.06 (5)	O9—C14—C15	115.7 (3)
O2—La1—La1^iv	131.10 (5)	O9—C14—C13	125.2 (3)
O5^iii—La1—La1^iv	70.67 (4)	C15—C14—C13	119.0 (4)
O1W—La1—La1^iv	119.94 (7)	C14—C15—C13^v	121.3 (3)
O8^iv—La1—La1^iv	81.30 (5)	C14—C15—H15A	119.3
O1—La1—La1^iv	145.36 (4)	C13^v—C15—H15A	119.3
O7^iv—La1—La1^iv	34.51 (4)	C1—O1—C9	115.9 (2)
C11^iv—La1—La1^iv	58.15 (6)	C1—O1—La1	125.69 (16)
O6^i—La1—H1WB	149.3	C9—O1—La1	118.05 (16)
O7—La1—H1WB	84.2	C10—O2—La1	129.78 (19)
O3^ii—La1—H1WB	86.5	C10—O3—La1^vi	135.28 (19)
O2—La1—H1WB	70.8	C4—O4—C7	115.4 (2)
O5^iii—La1—H1WB	51.6	C8—O5—La1^vii	129.89 (18)
O1W—La1—H1WB	18.4	C8—O6—La1^i	148.82 (19)
O8^iv—La1—H1WB	136.8	C11—O7—La1	155.4 (2)
O1—La1—H1WB	106.8	C11—O7—La1^iv	90.43 (18)
O7^iv—La1—H1WB	123.1	La1—O7—La1^iv	105.68 (8)
C11^iv—La1—H1WB	134.8	C11—O8—La1^iv	99.69 (19)
La1^iv—La1—H1WB	107.7	C14—O9—C12	117.7 (3)
C2—C1—C6	120.8 (3)	La1—O1W—H1WA	120.0
C2—C1—O1	116.8 (2)	La1—O1W—H1WB	54.7
C6—C1—O1	122.4 (3)	H1WA—O1W—H1WB	140.7
C1—C2—C3	120.1 (3)	H2WA—O2W—H2WB	163.8
C6—C1—C2—C3	2.1 (5)	O6^i—La1—O2—C10	−57.5 (3)
O1—C1—C2—C3	−176.5 (3)	O7—La1—O2—C10	150.7 (2)
C1—C2—C3—C4	−0.5 (5)	O3^ii—La1—O2—C10	34.7 (3)
C2—C3—C4—C5	−1.6 (5)	O5^iii—La1—O2—C10	166.4 (3)
C2—C3—C4—O4	178.7 (3)	O1W—La1—O2—C10	92.8 (3)
C3—C4—C5—C6	2.2 (5)	O8^iv—La1—O2—C10	−90.7 (3)
O4—C4—C5—C6	−178.1 (3)	O1—La1—O2—C10	−12.4 (3)
C2—C1—C6—C5	−1.5 (5)	O7^iv—La1—O2—C10	−127.5 (3)
O1—C1—C6—C5	177.1 (3)	C11^iv—La1—O2—C10	−108.6 (3)
C4—C5—C6—C1	−0.6 (5)	La1^iv—La1—O2—C10	−151.2 (3)
O4—C7—C8—O6	156.0 (3)	O2—C10—O3—La1^vi	−38.7 (5)
O4—C7—C8—O5	−25.7 (4)	C9—C10—O3—La1^vi	142.9 (2)
O1—C9—C10—O3	−164.6 (3)	C3—C4—O4—C7	−5.2 (4)
O1—C9—C10—O2	16.9 (4)	C5—C4—O4—C7	175.0 (3)
O8—C11—C12—O9	−14.5 (5)	C8—C7—O4—C4	−174.8 (3)
O7—C11—C12—O9	168.0 (3)	O6—C8—O5—La1^vii	2.3 (5)
La1^iv—C11—C12—O9	−29 (6)	C7—C8—O5—La1^vii	−175.8 (2)
C15^v—C13—C14—O9	−178.1 (3)	O5—C8—O6—La1^i	−18.4 (6)
C15^v—C13—C14—C15	0.6 (6)	C7—C8—O6—La1^i	159.8 (3)
O9—C14—C15—C13^v	178.2 (3)	O8—C11—O7—La1	133.6 (4)
C13—C14—C15—C13^v	−0.6 (6)	C12—C11—O7—La1	−49.0 (6)
C2—C1—O1—C9	−140.2 (3)	La1^iv—C11—O7—La1	131.8 (5)
C6—C1—O1—C9	41.2 (4)	O8—C11—O7—La1^iv	1.8 (3)
C2—C1—O1—La1	47.0 (4)	C12—C11—O7—La1^iv	179.2 (3)
C6—C1—O1—La1	−131.7 (3)	O6^i—La1—O7—C11	160.3 (5)
C10—C9—O1—C1	159.9 (3)	O3^ii—La1—O7—C11	84.7 (5)
C10—C9—O1—La1	−26.7 (3)	O2—La1—O7—C11	−39.0 (6)
O6^i—La1—O1—C1	−14.5 (2)	O5^iii—La1—O7—C11	−54.4 (5)
O7—La1—O1—C1	30.8 (3)	O1W—La1—O7—C11	15.5 (5)
O3^ii—La1—O1—C1	58.7 (2)	O8^iv—La1—O7—C11	−144.5 (5)
O2—La1—O1—C1	−166.7 (3)	O1—La1—O7—C11	111.1 (5)
O5^iii—La1—O1—C1	−168.3 (2)	O7^iv—La1—O7—C11	−129.3 (5)
O1W—La1—O1—C1	124.8 (2)	C11^iv—La1—O7—C11	−137.0 (5)
O8^iv—La1—O1—C1	−86.8 (2)	La1^iv—La1—O7—C11	−129.3 (5)
O7^iv—La1—O1—C1	−77.3 (2)	O6^i—La1—O7—La1^iv	−70.47 (8)
C11^iv—La1—O1—C1	−81.9 (2)	O3^ii—La1—O7—La1^iv	−146.04 (8)
La1^iv—La1—O1—C1	−47.5 (3)	O2—La1—O7—La1^iv	90.22 (16)
O6^i—La1—O1—C9	172.7 (2)	O5^iii—La1—O7—La1^iv	74.90 (8)
O7—La1—O1—C9	−141.9 (2)	O1W—La1—O7—La1^iv	144.78 (8)
O3^ii—La1—O1—C9	−114.0 (2)	O8^iv—La1—O7—La1^iv	−15.22 (11)
O2—La1—O1—C9	20.61 (19)	O1—La1—O7—La1^iv	−119.62 (12)
O5^iii—La1—O1—C9	19.0 (2)	O7^iv—La1—O7—La1^iv	0.0
O1W—La1—O1—C9	−48.0 (2)	C11^iv—La1—O7—La1^iv	−7.73 (9)
O8^iv—La1—O1—C9	100.5 (2)	O7—C11—O8—La1^iv	−1.9 (3)
O7^iv—La1—O1—C9	110.0 (2)	C12—C11—O8—La1^iv	−179.3 (3)
C11^iv—La1—O1—C9	105.4 (2)	C15—C14—O9—C12	168.6 (3)
La1^iv—La1—O1—C9	139.81 (17)	C13—C14—O9—C12	−12.6 (5)
O3—C10—O2—La1	−175.9 (2)	C11—C12—O9—C14	−66.8 (4)
C9—C10—O2—La1	2.6 (4)

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

Hydrogen-bond geometry (Å, º)

D—H···A	D—H	H···A	D···A	D—H···A
O1W—H1WA···O2^ii	0.85	2.24	2.716 (3)	115
O1W—H1WB···O5^iii	0.85	2.08	2.926 (3)	180
O2W—H2WA···O1W^ii	0.85	2.33	3.179 (5)	180
O2W—H2WB···O4^viii	0.85	2.50	3.240 (4)	146

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