catena-Poly[[aqua-(4-ethyl-benzoic acid-κO)lanthanum(III)]-tri-μ-4-ethyl-benzoato].

The reaction of lanthanum nitrate and 4-ethyl-benzoic acid (EBAH) in aqueous solution yielded the title polymer, [La(C(9)H(9)O(2))(3)(C(9)H(10)O(2))(H(2)O)](n). The asymmetric unit contains one La(III) atom, three 4-ethyl-benzoate (EBA) ligands, one neutral EBAH ligand and one coordinated water mol-ecule. Each La(III) ion is eight-coordinated by six O atoms from six bridging-bidentate EBA ligands, one O atom from a monodentate EBAH ligand and one water O atom in a distorted bicapped trigonal-prismatic geometry. The adjacent La(III) ions are linked by the carboxyl-ate groups of EBA ligands in a bridging-bidetate coordination mode, resulting in an infinite chain structure along the c axis. O-H⋯O hydrogen-bonding inter-actions involving the water mol-ecules, carboxyl-ate groups and carboxyl H atoms are formed within the one-dimensional polymer. One of the ethyl groups is disordered over two positions with occupancies of 0.717 (7) and 0.283 (7).

Related literature

For information on lanthanum complexes, see: Ishii et al. (2002 ▶); Kim et al. (2001 ▶); Luneau & Rey (2005 ▶); Wang et al. (2006 ▶); Yu et al. (2003 ▶).

Experimental

Crystal data

[La(C9H9O2)3(C9H10O2)(H2O)]

M = 754.58

Triclinic,

a = 9.5319 (3) Å

b = 14.0378 (5) Å

c = 14.9847 (5) Å

α = 65.024 (2)°

β = 74.942 (2)°

γ = 74.734 (2)°

V = 1727.91 (10) Å3

Z = 2

Mo Kα radiation

μ = 1.29 mm−1

T = 296 K

0.35 × 0.32 × 0.23 mm

Data collection

Bruker APEXII CCD diffractometer

Absorption correction: multi-scan (SADABS; Bruker, 2007 ▶) T min = 0.643, T max = 0.744

22559 measured reflections

7733 independent reflections

6206 reflections with I > 2σ(I)

R int = 0.050

Refinement

R[F 2 > 2σ(F 2)] = 0.038

wR(F 2) = 0.077

S = 1.01

7733 reflections

427 parameters

14 restraints

H-atom parameters constrained

Δρmax = 0.63 e Å−3

Δρmin = −0.73 e Å−3

Data collection: APEX2 (Bruker, 2007 ▶); cell refinement: SAINT (Bruker, 2007 ▶); 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.

Crystal structure: contains datablocks global, I. DOI: 10.1107/S160053681000190X/gk2253sup1.cif

Structure factors: contains datablocks I. DOI: 10.1107/S160053681000190X/gk2253Isup2.hkl

Additional supplementary materials: crystallographic information; 3D view; checkCIF report

[La(C9H9O2)3(C9H10O2)(H2O)]	Z = 2
Mr = 754.58	F(000) = 768
Triclinic, P1	Dx = 1.450 Mg m−3
Hall symbol: -P 1	Mo Kα radiation, λ = 0.71073 Å
a = 9.5319 (3) Å	Cell parameters from 4271 reflections
b = 14.0378 (5) Å	θ = 1.6–27.4°
c = 14.9847 (5) Å	µ = 1.29 mm−1
α = 65.024 (2)°	T = 296 K
β = 74.942 (2)°	Prism, colorless
γ = 74.734 (2)°	0.35 × 0.32 × 0.23 mm
V = 1727.91 (10) Å3

Bruker APEXII CCD diffractometer	7733 independent reflections
Radiation source: fine-focus sealed tube	6206 reflections with I > 2σ(I)
graphite	Rint = 0.050
φ and ω scans	θmax = 27.4°, θmin = 1.6°
Absorption correction: multi-scan (SADABS; Bruker, 2007)	h = −12→12
Tmin = 0.643, Tmax = 0.744	k = −17→18
22559 measured reflections	l = −19→19

Refinement on F2	Secondary atom site location: difference Fourier map
Least-squares matrix: full	Hydrogen site location: inferred from neighbouring sites
R[F2 > 2σ(F2)] = 0.038	H-atom parameters constrained
wR(F2) = 0.077	w = 1/[σ2(Fo2) + (0.028P)2 + 0.4P] where P = (Fo2 + 2Fc2)/3
S = 1.01	(Δ/σ)max = 0.001
7733 reflections	Δρmax = 0.63 e Å−3
427 parameters	Δρmin = −0.73 e Å−3
14 restraints	Extinction correction: SHELXL97 (Sheldrick, 2008)
Primary atom site location: structure-invariant direct methods	Extinction coefficient: none

	x	y	z	Uiso*/Ueq	Occ. (<1)
La1	0.70393 (2)	0.005772 (14)	0.529430 (14)	0.03202 (7)
O1	0.8939 (2)	−0.14429 (17)	0.60351 (17)	0.0452 (6)
O2	1.1201 (2)	−0.12633 (17)	0.51839 (17)	0.0425 (6)
O3	0.7662 (3)	0.01235 (19)	0.69039 (17)	0.0476 (6)
O4	0.5733 (3)	0.1064 (2)	0.7549 (2)	0.0716 (9)
H4A	0.5546	0.1300	0.6982	0.086*
O5	0.5373 (2)	0.16617 (17)	0.56793 (17)	0.0438 (6)
O6	0.3932 (3)	0.11669 (17)	0.50875 (17)	0.0451 (6)
O7	0.4662 (3)	0.08426 (18)	0.32269 (17)	0.0480 (6)
O8	0.6584 (3)	0.11814 (19)	0.35678 (17)	0.0483 (6)
O9	0.9081 (3)	−0.0388 (2)	0.39017 (18)	0.0582 (7)
H9A	0.9185	0.0072	0.3337	0.087*
H9B	0.9818	−0.0684	0.4164	0.087*
C1	1.0302 (4)	−0.1780 (2)	0.5892 (2)	0.0369 (8)
C2	1.0876 (4)	−0.2861 (2)	0.6599 (2)	0.0382 (8)
C3	1.2323 (4)	−0.3347 (3)	0.6403 (3)	0.0510 (10)
H3	1.2948	−0.2994	0.5832	0.061*
C4	1.2843 (5)	−0.4349 (3)	0.7050 (3)	0.0686 (12)
H4	1.3809	−0.4675	0.6900	0.082*
C5	1.1953 (6)	−0.4879 (3)	0.7917 (3)	0.0717 (13)
C6	1.0516 (5)	−0.4374 (3)	0.8123 (3)	0.0695 (13)
H6	0.9906	−0.4712	0.8711	0.083*
C7	0.9980 (4)	−0.3380 (3)	0.7470 (3)	0.0545 (10)
H7	0.9011	−0.3058	0.7615	0.065*
C8A	1.243 (2)	−0.6017 (18)	0.8639 (16)	0.110 (7)	0.717 (7)
H8A	1.2931	−0.5979	0.9108	0.131*	0.717 (7)
H8B	1.1553	−0.6318	0.9019	0.131*	0.717 (7)
C9A	1.3372 (10)	−0.6726 (6)	0.8198 (6)	0.119 (3)	0.717 (7)
H9C	1.3514	−0.7432	0.8701	0.178*	0.717 (7)
H9D	1.4307	−0.6496	0.7902	0.178*	0.717 (7)
H9E	1.2930	−0.6729	0.7693	0.178*	0.717 (7)
C8B	1.271 (7)	−0.592 (5)	0.863 (4)	0.110 (7)	0.283 (7)
H8C	1.2841	−0.6473	0.8382	0.131*	0.283 (7)
H8D	1.3690	−0.5825	0.8627	0.131*	0.283 (7)
C9B	1.199 (3)	−0.6280 (15)	0.9635 (18)	0.119 (3)	0.283 (7)
H9F	1.2268	−0.7040	0.9943	0.178*	0.283 (7)
H9G	1.0938	−0.6101	0.9652	0.178*	0.283 (7)
H9H	1.2256	−0.5945	0.9993	0.178*	0.283 (7)
C10	0.6986 (4)	0.0379 (3)	0.7597 (3)	0.0446 (8)
C11	0.7491 (4)	−0.0046 (3)	0.8568 (3)	0.0461 (9)
C12	0.8705 (5)	−0.0842 (3)	0.8747 (3)	0.0613 (11)
H12	0.9191	−0.1116	0.8259	0.074*
C13	0.9214 (5)	−0.1240 (3)	0.9641 (3)	0.0703 (13)
H13	1.0038	−0.1779	0.9743	0.084*
C14	0.8540 (5)	−0.0862 (3)	1.0379 (3)	0.0637 (11)
C15	0.7330 (5)	−0.0069 (4)	1.0200 (3)	0.0802 (15)
H15	0.6844	0.0199	1.0691	0.096*
C16	0.6812 (5)	0.0343 (4)	0.9305 (3)	0.0711 (13)
H16	0.5995	0.0888	0.9202	0.085*
C17	0.9168 (6)	−0.1315 (4)	1.1346 (3)	0.0830 (15)
H17A	0.9530	−0.2072	1.1509	0.100*
H17B	1.0009	−0.0983	1.1223	0.100*
C18	0.8160 (7)	−0.1179 (5)	1.2215 (4)	0.124 (2)
H18A	0.7852	−0.0431	1.2089	0.186*
H18B	0.8651	−0.1520	1.2785	0.186*
H18C	0.7312	−0.1494	1.2344	0.186*
C19	0.4269 (3)	0.1873 (2)	0.5257 (2)	0.0353 (7)
C20	0.3432 (3)	0.2980 (2)	0.4932 (2)	0.0368 (8)
C21	0.2418 (4)	0.3307 (3)	0.4299 (3)	0.0502 (9)
H21	0.2218	0.2815	0.4105	0.060*
C22	0.1699 (5)	0.4353 (3)	0.3953 (3)	0.0617 (11)
H22	0.1025	0.4553	0.3527	0.074*
C23	0.1952 (5)	0.5096 (3)	0.4220 (3)	0.0616 (11)
C24	0.2970 (5)	0.4781 (3)	0.4853 (4)	0.0733 (14)
H24	0.3158	0.5278	0.5045	0.088*
C25	0.3715 (5)	0.3726 (3)	0.5205 (3)	0.0603 (11)
H25	0.4399	0.3528	0.5623	0.072*
C26	0.1122 (6)	0.6239 (3)	0.3830 (4)	0.0977 (18)
H26A	0.0694	0.6333	0.3271	0.117*
H26B	0.0312	0.6329	0.4351	0.117*
C27	0.1952 (8)	0.7071 (4)	0.3512 (5)	0.133 (2)
H27A	0.1389	0.7739	0.3146	0.199*
H27B	0.2859	0.6923	0.3090	0.199*
H27C	0.2168	0.7111	0.4085	0.199*
C28	0.5754 (4)	0.1295 (2)	0.2983 (2)	0.0381 (8)
C29	0.6127 (3)	0.2007 (2)	0.1914 (2)	0.0367 (8)
C30	0.7214 (4)	0.2619 (3)	0.1596 (3)	0.0476 (9)
H30	0.7741	0.2584	0.2055	0.057*
C31	0.7529 (4)	0.3279 (3)	0.0608 (3)	0.0527 (10)
H31	0.8253	0.3694	0.0415	0.063*
C32	0.6798 (4)	0.3339 (3)	−0.0099 (3)	0.0513 (10)
C33	0.5723 (5)	0.2719 (3)	0.0215 (3)	0.0579 (11)
H33	0.5222	0.2739	−0.0251	0.069*
C34	0.5373 (4)	0.2069 (3)	0.1209 (3)	0.0520 (10)
H34	0.4628	0.1670	0.1405	0.062*
C35	0.7126 (5)	0.4099 (3)	−0.1179 (3)	0.0732 (13)
H35A	0.8179	0.4101	−0.1368	0.088*
H35B	0.6846	0.3844	−0.1606	0.088*
C36	0.6326 (7)	0.5210 (4)	−0.1346 (4)	0.117 (2)
H36A	0.5286	0.5209	−0.1135	0.176*
H36B	0.6519	0.5650	−0.2043	0.176*
H36C	0.6659	0.5488	−0.0967	0.176*

	U11	U22	U33	U12	U13	U23
La1	0.02659 (10)	0.03400 (11)	0.03639 (11)	−0.00694 (7)	−0.01086 (7)	−0.01010 (8)
O1	0.0330 (13)	0.0440 (13)	0.0504 (15)	−0.0023 (11)	−0.0126 (11)	−0.0096 (11)
O2	0.0350 (13)	0.0397 (12)	0.0501 (14)	−0.0112 (10)	−0.0132 (11)	−0.0082 (11)
O3	0.0458 (14)	0.0621 (16)	0.0420 (14)	−0.0068 (12)	−0.0105 (12)	−0.0263 (12)
O4	0.0567 (18)	0.100 (2)	0.0626 (18)	0.0178 (16)	−0.0241 (15)	−0.0452 (17)
O5	0.0373 (13)	0.0446 (13)	0.0541 (15)	−0.0007 (11)	−0.0208 (11)	−0.0193 (12)
O6	0.0475 (14)	0.0380 (13)	0.0555 (15)	−0.0107 (11)	−0.0110 (12)	−0.0201 (11)
O7	0.0421 (14)	0.0552 (15)	0.0432 (14)	−0.0194 (12)	−0.0068 (11)	−0.0092 (12)
O8	0.0434 (14)	0.0552 (15)	0.0399 (14)	−0.0118 (12)	−0.0186 (11)	−0.0033 (12)
O9	0.0387 (14)	0.0818 (19)	0.0522 (16)	−0.0015 (13)	−0.0134 (12)	−0.0255 (14)
C1	0.0369 (19)	0.0352 (17)	0.044 (2)	−0.0107 (15)	−0.0145 (16)	−0.0136 (15)
C2	0.0368 (19)	0.0337 (17)	0.046 (2)	−0.0073 (14)	−0.0195 (16)	−0.0090 (15)
C3	0.048 (2)	0.044 (2)	0.056 (2)	−0.0015 (17)	−0.0182 (19)	−0.0126 (18)
C4	0.063 (3)	0.052 (2)	0.079 (3)	0.010 (2)	−0.026 (2)	−0.018 (2)
C5	0.084 (3)	0.045 (2)	0.073 (3)	−0.002 (2)	−0.037 (3)	−0.002 (2)
C6	0.072 (3)	0.055 (2)	0.062 (3)	−0.023 (2)	−0.019 (2)	0.008 (2)
C7	0.046 (2)	0.052 (2)	0.060 (3)	−0.0148 (18)	−0.0183 (19)	−0.0066 (19)
C8A	0.118 (10)	0.072 (6)	0.097 (5)	0.014 (8)	−0.043 (7)	0.003 (4)
C9A	0.141 (6)	0.069 (4)	0.135 (6)	0.008 (4)	−0.062 (5)	−0.022 (4)
C8B	0.118 (10)	0.072 (6)	0.097 (5)	0.014 (8)	−0.043 (7)	0.003 (4)
C9B	0.141 (6)	0.069 (4)	0.135 (6)	0.008 (4)	−0.062 (5)	−0.022 (4)
C10	0.039 (2)	0.052 (2)	0.049 (2)	−0.0111 (17)	−0.0124 (17)	−0.0205 (18)
C11	0.041 (2)	0.058 (2)	0.043 (2)	−0.0056 (17)	−0.0096 (17)	−0.0236 (18)
C12	0.066 (3)	0.067 (3)	0.047 (2)	0.003 (2)	−0.012 (2)	−0.026 (2)
C13	0.071 (3)	0.074 (3)	0.057 (3)	0.011 (2)	−0.021 (2)	−0.024 (2)
C14	0.063 (3)	0.077 (3)	0.049 (2)	−0.005 (2)	−0.016 (2)	−0.022 (2)
C15	0.081 (3)	0.109 (4)	0.052 (3)	0.017 (3)	−0.019 (2)	−0.048 (3)
C16	0.064 (3)	0.088 (3)	0.058 (3)	0.020 (2)	−0.021 (2)	−0.038 (2)
C17	0.089 (4)	0.104 (4)	0.052 (3)	−0.010 (3)	−0.031 (3)	−0.019 (3)
C18	0.109 (5)	0.202 (7)	0.064 (4)	−0.002 (5)	−0.031 (3)	−0.058 (4)
C19	0.0304 (17)	0.0358 (17)	0.0388 (19)	−0.0061 (14)	−0.0045 (14)	−0.0139 (15)
C20	0.0323 (17)	0.0371 (17)	0.0411 (19)	−0.0046 (14)	−0.0063 (15)	−0.0159 (15)
C21	0.051 (2)	0.044 (2)	0.055 (2)	−0.0051 (17)	−0.0187 (19)	−0.0139 (18)
C22	0.058 (3)	0.050 (2)	0.066 (3)	−0.002 (2)	−0.024 (2)	−0.008 (2)
C23	0.054 (3)	0.044 (2)	0.069 (3)	0.0001 (19)	−0.004 (2)	−0.014 (2)
C24	0.087 (3)	0.049 (3)	0.100 (4)	−0.007 (2)	−0.020 (3)	−0.043 (3)
C25	0.066 (3)	0.049 (2)	0.081 (3)	0.001 (2)	−0.028 (2)	−0.037 (2)
C26	0.083 (4)	0.046 (3)	0.128 (5)	0.002 (2)	−0.004 (3)	−0.015 (3)
C27	0.157 (5)	0.058 (3)	0.184 (6)	−0.007 (3)	−0.073 (5)	−0.028 (4)
C28	0.0319 (18)	0.0368 (17)	0.0400 (19)	−0.0034 (15)	−0.0093 (15)	−0.0091 (15)
C29	0.0316 (17)	0.0368 (17)	0.0379 (18)	−0.0031 (14)	−0.0080 (14)	−0.0111 (15)
C30	0.045 (2)	0.056 (2)	0.042 (2)	−0.0144 (18)	−0.0121 (17)	−0.0128 (17)
C31	0.045 (2)	0.058 (2)	0.050 (2)	−0.0221 (18)	0.0001 (18)	−0.0124 (19)
C32	0.058 (2)	0.047 (2)	0.041 (2)	−0.0027 (19)	−0.0059 (19)	−0.0143 (17)
C33	0.077 (3)	0.059 (2)	0.041 (2)	−0.011 (2)	−0.027 (2)	−0.0126 (19)
C34	0.058 (2)	0.051 (2)	0.051 (2)	−0.0212 (19)	−0.0182 (19)	−0.0104 (18)
C35	0.083 (3)	0.076 (3)	0.037 (2)	−0.011 (3)	0.004 (2)	−0.009 (2)
C36	0.133 (5)	0.071 (3)	0.064 (3)	0.011 (3)	0.019 (3)	0.015 (3)

La1—O7i	2.446 (2)	C12—C13	1.380 (5)
La1—O1	2.451 (2)	C12—H12	0.9300
La1—O2ii	2.457 (2)	C13—C14	1.365 (5)
La1—O6i	2.466 (2)	C13—H13	0.9300
La1—O8	2.479 (2)	C14—C15	1.369 (5)
La1—O5	2.581 (2)	C14—C17	1.528 (6)
La1—O9	2.624 (2)	C15—C16	1.383 (5)
La1—O3	2.672 (2)	C15—H15	0.9300
La1—O6	2.989 (2)	C16—H16	0.9300
O1—C1	1.255 (4)	C17—C18	1.455 (6)
O2—C1	1.262 (4)	C17—H17A	0.9700
O2—La1ii	2.457 (2)	C17—H17B	0.9700
O3—C10	1.212 (4)	C18—H18A	0.9600
O4—C10	1.318 (4)	C18—H18B	0.9600
O4—H4A	0.8200	C18—H18C	0.9600
O5—C19	1.272 (4)	C19—C20	1.482 (4)
O6—C19	1.255 (4)	C20—C25	1.381 (5)
O6—La1i	2.466 (2)	C20—C21	1.385 (5)
O7—C28	1.255 (4)	C21—C22	1.381 (5)
O7—La1i	2.446 (2)	C21—H21	0.9300
O8—C28	1.263 (4)	C22—C23	1.358 (6)
O9—H9A	0.8199	C22—H22	0.9300
O9—H9B	0.8200	C23—C24	1.390 (6)
C1—C2	1.494 (4)	C23—C26	1.524 (5)
C2—C7	1.382 (5)	C24—C25	1.399 (5)
C2—C3	1.385 (5)	C24—H24	0.9300
C3—C4	1.377 (5)	C25—H25	0.9300
C3—H3	0.9300	C26—C27	1.428 (7)
C4—C5	1.380 (6)	C26—H26A	0.9700
C4—H4	0.9300	C26—H26B	0.9700
C5—C6	1.389 (6)	C27—H27A	0.9600
C5—C8B	1.527 (12)	C27—H27B	0.9600
C5—C8A	1.530 (9)	C27—H27C	0.9600
C6—C7	1.377 (5)	C28—C29	1.494 (4)
C6—H6	0.9300	C29—C30	1.380 (5)
C7—H7	0.9300	C29—C34	1.388 (5)
C8A—C9A	1.42 (3)	C30—C31	1.378 (5)
C8A—H8A	0.9700	C30—H30	0.9300
C8A—H8B	0.9700	C31—C32	1.376 (5)
C9A—H9C	0.9600	C31—H31	0.9300
C9A—H9D	0.9600	C32—C33	1.379 (5)
C9A—H9E	0.9600	C32—C35	1.520 (5)
C8B—C9B	1.41 (3)	C33—C34	1.385 (5)
C8B—H8C	0.9700	C33—H33	0.9300
C8B—H8D	0.9700	C34—H34	0.9300
C9B—H9F	0.9600	C35—C36	1.491 (6)
C9B—H9G	0.9600	C35—H35A	0.9700
C9B—H9H	0.9600	C35—H35B	0.9700
C10—C11	1.478 (5)	C36—H36A	0.9600
C11—C16	1.374 (5)	C36—H36B	0.9600
C11—C12	1.374 (5)	C36—H36C	0.9600
O7i—La1—O1	85.28 (8)	C12—C11—C10	119.7 (3)
O7i—La1—O2ii	138.39 (8)	C11—C12—C13	120.8 (4)
O1—La1—O2ii	88.76 (7)	C11—C12—H12	119.6
O7i—La1—O6i	72.11 (8)	C13—C12—H12	119.6
O1—La1—O6i	88.38 (8)	C14—C13—C12	121.7 (4)
O2ii—La1—O6i	148.91 (8)	C14—C13—H13	119.1
O7i—La1—O8	129.46 (8)	C12—C13—H13	119.1
O1—La1—O8	134.90 (8)	C13—C14—C15	117.3 (4)
O2ii—La1—O8	81.26 (8)	C13—C14—C17	119.6 (4)
O6i—La1—O8	79.01 (8)	C15—C14—C17	123.1 (4)
O7i—La1—O5	78.89 (8)	C14—C15—C16	121.6 (4)
O1—La1—O5	137.55 (8)	C14—C15—H15	119.2
O2ii—La1—O5	78.19 (7)	C16—C15—H15	119.2
O6i—La1—O5	122.55 (7)	C11—C16—C15	120.7 (4)
O8—La1—O5	83.19 (8)	C11—C16—H16	119.7
O7i—La1—O9	138.96 (8)	C15—C16—H16	119.7
O1—La1—O9	69.14 (8)	C18—C17—C14	116.4 (4)
O2ii—La1—O9	74.56 (8)	C18—C17—H17A	108.2
O6i—La1—O9	75.51 (8)	C14—C17—H17A	108.2
O8—La1—O9	65.79 (8)	C18—C17—H17B	108.2
O5—La1—O9	141.12 (8)	C14—C17—H17B	108.2
O7i—La1—O3	70.76 (8)	H17A—C17—H17B	107.3
O1—La1—O3	67.79 (7)	C17—C18—H18A	109.5
O2ii—La1—O3	68.89 (8)	C17—C18—H18B	109.5
O6i—La1—O3	137.01 (8)	H18A—C18—H18B	109.5
O8—La1—O3	142.87 (8)	C17—C18—H18C	109.5
O5—La1—O3	69.82 (7)	H18A—C18—H18C	109.5
O9—La1—O3	122.91 (7)	H18B—C18—H18C	109.5
O7i—La1—O6	69.86 (7)	O6—C19—O5	120.5 (3)
O1—La1—O6	154.19 (7)	O6—C19—C20	120.8 (3)
O2ii—La1—O6	114.27 (7)	O5—C19—C20	118.7 (3)
O6i—La1—O6	77.73 (7)	C25—C20—C21	118.4 (3)
O8—La1—O6	63.95 (7)	C25—C20—C19	120.4 (3)
O5—La1—O6	45.66 (7)	C21—C20—C19	121.0 (3)
O9—La1—O6	126.33 (7)	C22—C21—C20	120.9 (4)
O3—La1—O6	108.39 (7)	C22—C21—H21	119.5
C1—O1—La1	141.5 (2)	C20—C21—H21	119.5
C1—O2—La1ii	144.6 (2)	C23—C22—C21	121.5 (4)
C10—O3—La1	136.8 (2)	C23—C22—H22	119.2
C10—O4—H4A	109.2	C21—C22—H22	119.2
C19—O5—La1	104.12 (19)	C22—C23—C24	118.3 (4)
C19—O6—La1i	172.4 (2)	C22—C23—C26	119.8 (5)
C19—O6—La1	85.22 (18)	C24—C23—C26	122.0 (4)
La1i—O6—La1	102.27 (7)	C23—C24—C25	120.9 (4)
C28—O7—La1i	140.7 (2)	C23—C24—H24	119.5
C28—O8—La1	139.7 (2)	C25—C24—H24	119.5
La1—O9—H9A	119.0	C20—C25—C24	119.9 (4)
La1—O9—H9B	105.1	C20—C25—H25	120.0
H9A—O9—H9B	117.6	C24—C25—H25	120.0
O1—C1—O2	123.7 (3)	C27—C26—C23	116.9 (5)
O1—C1—C2	117.6 (3)	C27—C26—H26A	108.1
O2—C1—C2	118.7 (3)	C23—C26—H26A	108.1
C7—C2—C3	119.0 (3)	C27—C26—H26B	108.1
C7—C2—C1	120.4 (3)	C23—C26—H26B	108.1
C3—C2—C1	120.5 (3)	H26A—C26—H26B	107.3
C4—C3—C2	120.3 (4)	C26—C27—H27A	109.5
C4—C3—H3	119.8	C26—C27—H27B	109.5
C2—C3—H3	119.8	H27A—C27—H27B	109.5
C3—C4—C5	121.1 (4)	C26—C27—H27C	109.5
C3—C4—H4	119.5	H27A—C27—H27C	109.5
C5—C4—H4	119.5	H27B—C27—H27C	109.5
C4—C5—C6	118.2 (4)	O7—C28—O8	125.1 (3)
C4—C5—C8B	115.9 (19)	O7—C28—C29	117.8 (3)
C6—C5—C8B	125.3 (17)	O8—C28—C29	117.1 (3)
C4—C5—C8A	123.8 (8)	C30—C29—C34	118.1 (3)
C6—C5—C8A	117.9 (8)	C30—C29—C28	121.8 (3)
C7—C6—C5	121.0 (4)	C34—C29—C28	120.1 (3)
C7—C6—H6	119.5	C31—C30—C29	120.8 (3)
C5—C6—H6	119.5	C31—C30—H30	119.6
C6—C7—C2	120.3 (4)	C29—C30—H30	119.6
C6—C7—H7	119.9	C32—C31—C30	121.6 (4)
C2—C7—H7	119.9	C32—C31—H31	119.2
C9A—C8A—C5	116.0 (15)	C30—C31—H31	119.2
C9A—C8A—H8A	108.3	C31—C32—C33	117.7 (3)
C5—C8A—H8A	108.3	C31—C32—C35	120.8 (4)
C9A—C8A—H8B	108.3	C33—C32—C35	121.5 (4)
C5—C8A—H8B	108.3	C32—C33—C34	121.4 (4)
H8A—C8A—H8B	107.4	C32—C33—H33	119.3
C9B—C8B—C5	116 (3)	C34—C33—H33	119.3
C9B—C8B—H8C	108.2	C33—C34—C29	120.4 (4)
C5—C8B—H8C	108.2	C33—C34—H34	119.8
C5—C8B—H8D	108.2	C29—C34—H34	119.8
H8C—C8B—H8D	107.4	C36—C35—C32	112.5 (3)
C8B—C9B—H9F	109.5	C36—C35—H35A	109.1
C8B—C9B—H9G	109.5	C32—C35—H35A	109.1
H9F—C9B—H9G	109.5	C36—C35—H35B	109.1
C8B—C9B—H9H	109.5	C32—C35—H35B	109.1
H9F—C9B—H9H	109.5	H35A—C35—H35B	107.8
H9G—C9B—H9H	109.5	C35—C36—H36A	109.5
O3—C10—O4	122.7 (3)	C35—C36—H36B	109.5
O3—C10—C11	123.2 (3)	H36A—C36—H36B	109.5
O4—C10—C11	114.1 (3)	C35—C36—H36C	109.5
C16—C11—C12	117.8 (4)	H36A—C36—H36C	109.5
C16—C11—C10	122.5 (3)	H36B—C36—H36C	109.5

D—H···A	D—H	H···A	D···A	D—H···A
O4—H4A···O5	0.82	1.84	2.652 (3)	171
O9—H9B···O2	0.82	2.04	2.829 (3)	161

Table 1

Selected bond lengths (Å)

La1—O7i	2.446 (2)
La1—O1	2.451 (2)
La1—O2ii	2.457 (2)
La1—O6i	2.466 (2)
La1—O8	2.479 (2)
La1—O5	2.581 (2)
La1—O9	2.624 (2)
La1—O3	2.672 (2)

Symmetry codes: (i) ; (ii) .

Table 2

Hydrogen-bond geometry (Å, °)

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
O4—H4A⋯O5	0.82	1.84	2.652 (3)	171
O9—H9B⋯O2	0.82	2.04	2.829 (3)	161