catena-Poly[[[diacrylato-κO,O'-neodymium(III)]-di-μ-acrylato-κO,O':O';κO:O,O'-[triaqua-neodymium(III)]-di-μ-acrylato-κO,O':O';κO:O,O'] trihydrate].

The title compound, {[Nd(2)(CH(2)CHCOO)(6)(H(2)O)(3)]·3H(2)O}(n), was synthesized by hydro-thermal methods. The structure contains one-dimensional coordination polymers in which two distinct Nd(III) atoms show different coordination modes. One is coordinated by four bidentate acrylate ligands, two of which bridge Nd(III) atoms, and by two O atoms from a further two bridging acrylate ligands. The other Nd(III) atom is coordinated by two bidentate acrylate ligands, two O atoms from bridging acrylate ligands, and three water mol-ecules. Extensive hydrogen bonding between the coordinated and uncoordin-ated water mol-ecules and the O atoms of the acrylate ligands link the coordination polymers into a three-dimensional network.

Related literature

For related literature, see: Church & Halvorson (1959 ▶); Chung et al. (1971 ▶); Okabe & Oya (2000 ▶); Okabe et al. (2002 ▶); Serre et al. (2005 ▶); Pocker & Fong (1980 ▶); Scapin et al. (1997 ▶).

Experimental

Crystal data

[Nd2(C3H3O2)6(H2O)3]·3H2O

M = 822.90

Monoclinic,

a = 10.2012 (10) Å

b = 15.242 (2) Å

c = 20.3073 (10) Å

β = 100.801 (2)°

V = 3101.7 (5) Å3

Z = 4

Mo Kα radiation

μ = 3.38 mm−1

T = 295 (2) K

0.42 × 0.28 × 0.22 mm

Data collection

Bruker APEXII CCD diffractometer

Absorption correction: multi-scan (SADABS; Bruker, 2001 ▶) T min = 0.300, T max = 0.475

14403 measured reflections

5390 independent reflections

4416 reflections with I > 2σ(I)

R int = 0.034

Refinement

R[F 2 > 2σ(F 2)] = 0.041

wR(F 2) = 0.109

S = 1.10

5390 reflections

343 parameters

72 restraints

H-atom parameters constrained

Δρmax = 0.87 e Å−3

Δρmin = −0.87 e Å−3

Data collection: APEX2 (Bruker, 2004 ▶); cell refinement: SAINT-Plus (Bruker, 2001 ▶); data reduction: SAINT-Plus; 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/S1600536808026354/bi2299sup1.cif

Structure factors: contains datablocks I. DOI: 10.1107/S1600536808026354/bi2299Isup2.hkl

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

[Nd2(C3H3O2)6(H2O)3]·3H2O	F000 = 1608
Mr = 822.90	Dx = 1.749 Mg m−3
Monoclinic, P21/c	Mo Kα radiation λ = 0.71073 Å
Hall symbol: -P 2ybc	Cell parameters from 5390 reflections
a = 10.2012 (10) Å	θ = 1.7–25.1º
b = 15.242 (2) Å	µ = 3.38 mm−1
c = 20.3073 (10) Å	T = 295 (2) K
β = 100.801 (2)º	Block, violet
V = 3101.7 (5) Å3	0.42 × 0.28 × 0.22 mm
Z = 4

Bruker APEXII CCD diffractometer	5390 independent reflections
Radiation source: fine-focus sealed tube	4416 reflections with I > 2σ(I)
Monochromator: graphite	Rint = 0.034
T = 295(2) K	θmax = 25.1º
φ and ω scans	θmin = 1.7º
Absorption correction: multi-scan(SADABS; Bruker, 2001)	h = −12→10
Tmin = 0.300, Tmax = 0.475	k = −18→18
14403 measured reflections	l = −21→24

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)] = 0.041	H-atom parameters constrained
wR(F2) = 0.109	w = 1/[σ2(Fo2) + (0.0473P)2 + 8.3226P] where P = (Fo2 + 2Fc2)/3
S = 1.10	(Δ/σ)max = 0.001
5390 reflections	Δρmax = 0.87 e Å−3
343 parameters	Δρmin = −0.87 e Å−3
72 restraints	Extinction correction: none
Primary atom site location: structure-invariant direct methods

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

	x	y	z	Uiso*/Ueq
Nd1	0.56385 (3)	0.45807 (2)	0.191128 (18)	0.03537 (12)
Nd2	0.35529 (3)	0.70432 (2)	0.209240 (18)	0.03519 (12)
C1	0.4158 (6)	0.2907 (4)	0.1465 (3)	0.0340 (14)
C2	0.3402 (8)	0.2089 (5)	0.1262 (4)	0.0483 (18)
H2A	0.3751	0.1561	0.1448	0.058*
C3	0.2300 (10)	0.2073 (7)	0.0846 (5)	0.080 (3)
H3A	0.1931	0.2592	0.0654	0.096*
H3B	0.1864	0.1542	0.0735	0.096*
C4	0.7001 (6)	0.6303 (4)	0.2170 (3)	0.0395 (15)
C5	0.7686 (7)	0.7146 (5)	0.2180 (4)	0.0500 (18)
H5A	0.7206	0.7657	0.2217	0.060*
C6	0.8912 (9)	0.7210 (6)	0.2139 (5)	0.076 (3)
H6A	0.9410	0.6707	0.2102	0.092*
H6B	0.9311	0.7760	0.2147	0.092*
C7	0.2188 (7)	0.5346 (4)	0.1710 (4)	0.0417 (16)
C8	0.1496 (8)	0.4493 (5)	0.1711 (5)	0.067 (2)
H8A	0.1979	0.3980	0.1687	0.080*
C9	0.0265 (10)	0.4431 (7)	0.1744 (6)	0.093 (3)
H9A	−0.0237	0.4936	0.1768	0.111*
H9B	−0.0133	0.3882	0.1743	0.111*
C10	0.2684 (7)	0.6554 (5)	0.3355 (4)	0.0459 (17)
C11	0.2344 (11)	0.6327 (6)	0.4014 (5)	0.080 (3)
H11A	0.2777	0.5852	0.4247	0.097*
C12	0.1484 (14)	0.6749 (9)	0.4281 (7)	0.115 (4)
H12A	0.1036	0.7226	0.4059	0.138*
H12B	0.1311	0.6576	0.4695	0.138*
C13	0.1885 (7)	0.8637 (4)	0.1723 (4)	0.0456 (17)
C14	0.0995 (10)	0.9380 (6)	0.1499 (5)	0.078 (3)
H14A	0.1112	0.9901	0.1741	0.094*
C15	0.0045 (12)	0.9334 (8)	0.0971 (6)	0.114 (4)
H15A	−0.0087	0.8818	0.0723	0.137*
H15B	−0.0500	0.9817	0.0843	0.137*
C16	0.4621 (8)	0.7649 (5)	0.0902 (4)	0.0476 (17)
C17	0.5220 (12)	0.7930 (7)	0.0339 (5)	0.091 (3)
H17A	0.5154	0.7577	−0.0039	0.110*
C18	0.5862 (17)	0.8694 (12)	0.0366 (9)	0.168 (7)
H18A	0.5929	0.9048	0.0744	0.201*
H18B	0.6244	0.8873	0.0007	0.201*
O1	0.5484 (5)	0.5364 (3)	0.0820 (2)	0.0486 (12)
H1	0.5011	0.5826	0.0761	0.073*
H2	0.6054	0.5372	0.0564	0.073*
O2	0.7108 (5)	0.3755 (3)	0.1297 (2)	0.0473 (12)
H3	0.7501	0.3300	0.1480	0.071*
H4	0.7247	0.3802	0.0899	0.071*
O3	0.4934 (8)	0.4659 (4)	0.3008 (3)	0.093 (3)
H5	0.5148	0.4174	0.3206	0.139*
H6	0.4108	0.4757	0.2991	0.139*
O4	0.7608 (5)	0.5595 (3)	0.2143 (3)	0.0539 (14)
O5	0.5747 (4)	0.6278 (3)	0.2182 (2)	0.0341 (9)
O6	0.3974 (5)	0.3575 (3)	0.1107 (2)	0.0450 (11)
O7	0.4972 (4)	0.2917 (3)	0.2019 (2)	0.0364 (10)
O8	0.4008 (5)	0.6912 (3)	0.0861 (2)	0.0473 (12)
O9	0.4736 (5)	0.8099 (3)	0.1423 (2)	0.0476 (12)
O10	0.2794 (4)	0.8729 (3)	0.2236 (2)	0.0392 (10)
O11	0.1697 (5)	0.7925 (3)	0.1422 (3)	0.0525 (13)
O12	0.2189 (5)	0.7220 (3)	0.3044 (3)	0.0457 (12)
O13	0.3521 (5)	0.6084 (3)	0.3138 (3)	0.0508 (12)
O14	0.1589 (4)	0.6050 (3)	0.1722 (3)	0.0539 (14)
O15	0.3457 (4)	0.5347 (3)	0.1730 (3)	0.0438 (12)
O16	0.7445 (5)	0.5710 (4)	0.0093 (3)	0.0594 (14)
H7	0.7020	0.5927	−0.0271	0.089*
H8	0.7596	0.5161	0.0095	0.089*
O17	0.7927 (5)	0.3919 (4)	0.0102 (3)	0.0590 (14)
H9	0.7296	0.3650	−0.0151	0.088*
H10	0.8651	0.3843	−0.0040	0.088*
O18	0.9798 (6)	0.6714 (5)	0.0387 (3)	0.091 (2)
H11	0.9085	0.6413	0.0298	0.137*
H12	1.0283	0.6535	0.0749	0.137*

	U11	U22	U33	U12	U13	U23
Nd1	0.0335 (2)	0.0297 (2)	0.0442 (2)	0.00266 (13)	0.01071 (16)	0.00193 (14)
Nd2	0.0305 (2)	0.0306 (2)	0.0441 (2)	0.00072 (13)	0.00585 (15)	−0.00324 (14)
C1	0.032 (3)	0.037 (3)	0.038 (3)	0.003 (3)	0.019 (3)	−0.004 (3)
C2	0.053 (4)	0.042 (4)	0.046 (4)	−0.015 (3)	−0.002 (3)	−0.003 (3)
C3	0.074 (6)	0.074 (5)	0.084 (6)	−0.021 (4)	−0.005 (5)	0.000 (5)
C4	0.035 (4)	0.044 (4)	0.041 (4)	−0.003 (3)	0.011 (3)	0.000 (3)
C5	0.043 (4)	0.042 (4)	0.069 (5)	−0.005 (3)	0.019 (3)	−0.003 (3)
C6	0.061 (5)	0.058 (5)	0.117 (7)	−0.014 (4)	0.033 (5)	−0.011 (5)
C7	0.032 (4)	0.043 (4)	0.052 (4)	−0.006 (3)	0.012 (3)	−0.001 (3)
C8	0.044 (4)	0.046 (4)	0.116 (7)	−0.002 (3)	0.027 (4)	−0.009 (4)
C9	0.059 (5)	0.074 (6)	0.151 (8)	−0.012 (5)	0.035 (5)	−0.007 (6)
C10	0.049 (4)	0.039 (4)	0.056 (4)	−0.012 (3)	0.025 (4)	−0.009 (3)
C11	0.100 (6)	0.065 (5)	0.089 (6)	0.002 (5)	0.052 (5)	0.006 (5)
C12	0.134 (8)	0.110 (7)	0.120 (8)	−0.011 (7)	0.069 (7)	0.009 (6)
C13	0.038 (4)	0.036 (4)	0.062 (5)	0.002 (3)	0.007 (3)	0.005 (3)
C14	0.080 (6)	0.059 (5)	0.085 (6)	0.018 (4)	−0.013 (5)	−0.006 (4)
C15	0.108 (7)	0.099 (7)	0.117 (7)	0.039 (6)	−0.027 (6)	−0.004 (6)
C16	0.059 (5)	0.040 (4)	0.048 (4)	0.009 (3)	0.020 (4)	0.000 (3)
C17	0.133 (8)	0.079 (6)	0.075 (6)	−0.033 (6)	0.055 (6)	−0.009 (5)
C18	0.205 (11)	0.167 (10)	0.153 (10)	−0.040 (8)	0.089 (8)	−0.012 (8)
O1	0.068 (3)	0.039 (3)	0.045 (3)	0.014 (2)	0.025 (2)	0.012 (2)
O2	0.055 (3)	0.039 (3)	0.055 (3)	0.014 (2)	0.028 (2)	0.007 (2)
O3	0.154 (7)	0.070 (4)	0.076 (4)	0.075 (4)	0.074 (4)	0.039 (3)
O4	0.032 (3)	0.029 (2)	0.100 (4)	0.001 (2)	0.011 (3)	0.000 (3)
O5	0.021 (2)	0.034 (2)	0.048 (3)	0.0008 (17)	0.0099 (18)	−0.003 (2)
O6	0.049 (3)	0.039 (3)	0.043 (3)	−0.001 (2)	−0.001 (2)	0.004 (2)
O7	0.032 (2)	0.039 (2)	0.035 (2)	−0.0001 (18)	−0.0015 (19)	0.0082 (19)
O8	0.056 (3)	0.038 (3)	0.047 (3)	0.001 (2)	0.007 (2)	−0.004 (2)
O9	0.064 (3)	0.037 (3)	0.048 (3)	−0.008 (2)	0.023 (2)	−0.005 (2)
O10	0.028 (2)	0.042 (3)	0.043 (3)	−0.0012 (19)	−0.004 (2)	−0.005 (2)
O11	0.044 (3)	0.038 (3)	0.066 (3)	0.009 (2)	−0.014 (2)	−0.005 (2)
O12	0.045 (3)	0.032 (2)	0.065 (3)	−0.003 (2)	0.023 (2)	−0.002 (2)
O13	0.060 (3)	0.038 (3)	0.060 (3)	0.010 (2)	0.026 (3)	0.002 (2)
O14	0.030 (2)	0.037 (3)	0.091 (4)	0.000 (2)	0.002 (2)	−0.016 (3)
O15	0.022 (2)	0.039 (3)	0.070 (3)	−0.0021 (18)	0.011 (2)	−0.007 (2)
O16	0.056 (3)	0.068 (4)	0.052 (3)	0.000 (3)	0.006 (3)	0.013 (3)
O17	0.056 (3)	0.067 (4)	0.054 (3)	−0.007 (3)	0.011 (3)	−0.003 (3)
O18	0.057 (4)	0.135 (6)	0.075 (4)	0.002 (4)	−0.008 (3)	−0.010 (4)

Nd1—O2	2.467 (4)	C8—C9	1.273 (12)
Nd1—O3	2.468 (6)	C8—H8A	0.930
Nd1—O15	2.479 (4)	C9—H9A	0.930
Nd1—O10i	2.490 (4)	C9—H9B	0.930
Nd1—O1	2.496 (4)	C10—O12	1.250 (9)
Nd1—O4	2.508 (5)	C10—O13	1.256 (8)
Nd1—O6	2.619 (5)	C10—C11	1.485 (12)
Nd1—O5	2.643 (4)	C11—C12	1.286 (15)
Nd1—O7	2.645 (4)	C11—H11A	0.930
Nd1—C4	2.971 (7)	C12—H12A	0.930
Nd1—C1	3.016 (6)	C12—H12B	0.930
Nd2—O5	2.500 (4)	C13—O11	1.243 (8)
Nd2—O7ii	2.505 (4)	C13—O10	1.266 (8)
Nd2—O11	2.506 (4)	C13—C14	1.470 (11)
Nd2—O14	2.511 (4)	C14—C15	1.305 (14)
Nd2—O9	2.552 (5)	C14—H14A	0.930
Nd2—O13	2.583 (5)	C15—H15A	0.930
Nd2—O12	2.598 (5)	C15—H15B	0.930
Nd2—O8	2.636 (5)	C16—O9	1.247 (8)
Nd2—O15	2.685 (4)	C16—O8	1.281 (9)
Nd2—O10	2.716 (4)	C16—C17	1.459 (12)
Nd2—C10	2.961 (7)	C17—C18	1.331 (17)
Nd2—C7	2.972 (7)	C17—H17A	0.930
C1—O6	1.246 (7)	C18—H18A	0.930
C1—O7	1.267 (7)	C18—H18B	0.930
C1—C2	1.483 (9)	O1—H1	0.850
C2—C3	1.274 (11)	O1—H2	0.850
C2—H2A	0.930	O2—H3	0.850
C3—H3A	0.930	O2—H4	0.850
C3—H3B	0.930	O3—H5	0.850
C4—O4	1.251 (8)	O3—H6	0.850
C4—O5	1.285 (7)	O7—Nd2i	2.505 (4)
C4—C5	1.461 (9)	O10—Nd1ii	2.490 (4)
C5—C6	1.273 (11)	O16—H7	0.850
C5—H5A	0.930	O16—H8	0.850
C6—H6A	0.930	O17—H9	0.850
C6—H6B	0.930	O17—H10	0.850
C7—O14	1.238 (8)	O18—H11	0.850
C7—O15	1.288 (8)	O18—H12	0.850
C7—C8	1.480 (10)
O2—Nd1—O3	141.98 (17)	O14—Nd2—C7	24.29 (16)
O2—Nd1—O15	141.19 (16)	O9—Nd2—C7	130.91 (17)
O3—Nd1—O15	72.91 (19)	O13—Nd2—C7	69.20 (18)
O2—Nd1—O10i	73.36 (15)	O12—Nd2—C7	89.70 (17)
O3—Nd1—O10i	69.83 (17)	O8—Nd2—C7	80.95 (17)
O15—Nd1—O10i	142.21 (16)	O15—Nd2—C7	25.68 (16)
O2—Nd1—O1	74.85 (15)	O10—Nd2—C7	136.31 (16)
O3—Nd1—O1	142.90 (16)	C10—Nd2—C7	78.80 (19)
O15—Nd1—O1	74.78 (17)	O6—C1—O7	120.7 (6)
O10i—Nd1—O1	142.37 (16)	O6—C1—C2	120.8 (6)
O2—Nd1—O4	82.42 (17)	O7—C1—C2	118.4 (6)
O3—Nd1—O4	99.1 (2)	O6—C1—Nd1	59.7 (3)
O15—Nd1—O4	113.74 (14)	O7—C1—Nd1	61.0 (3)
O10i—Nd1—O4	78.65 (15)	C2—C1—Nd1	178.1 (5)
O1—Nd1—O4	77.71 (18)	C3—C2—C1	123.2 (8)
O2—Nd1—O6	76.75 (16)	C3—C2—H2A	118.4
O3—Nd1—O6	109.1 (2)	C1—C2—H2A	118.4
O15—Nd1—O6	73.98 (15)	C2—C3—H3A	120.0
O10i—Nd1—O6	112.68 (14)	C2—C3—H3B	120.0
O1—Nd1—O6	78.48 (16)	H3A—C3—H3B	120.0
O4—Nd1—O6	151.69 (18)	O4—C4—O5	118.6 (6)
O2—Nd1—O5	126.78 (14)	O4—C4—C5	121.4 (6)
O3—Nd1—O5	76.88 (17)	O5—C4—C5	120.1 (6)
O15—Nd1—O5	64.60 (13)	O4—C4—Nd1	56.5 (3)
O10i—Nd1—O5	111.66 (14)	O5—C4—Nd1	62.8 (3)
O1—Nd1—O5	73.12 (14)	C5—C4—Nd1	170.5 (5)
O4—Nd1—O5	49.98 (13)	C6—C5—C4	122.7 (8)
O6—Nd1—O5	134.37 (13)	C6—C5—H5A	118.7
O2—Nd1—O7	75.09 (15)	C4—C5—H5A	118.7
O3—Nd1—O7	81.30 (18)	C5—C6—H6A	120.0
O15—Nd1—O7	103.09 (14)	C5—C6—H6B	120.0
O10i—Nd1—O7	65.44 (13)	H6A—C6—H6B	120.0
O1—Nd1—O7	123.89 (15)	O14—C7—O15	119.7 (6)
O4—Nd1—O7	141.67 (14)	O14—C7—C8	121.6 (6)
O6—Nd1—O7	49.02 (13)	O15—C7—C8	118.6 (6)
O5—Nd1—O7	157.32 (14)	O14—C7—Nd2	56.5 (3)
O2—Nd1—C4	103.41 (17)	O15—C7—Nd2	64.6 (3)
O3—Nd1—C4	90.2 (2)	C8—C7—Nd2	164.7 (6)
O15—Nd1—C4	89.26 (16)	C9—C8—C7	122.7 (8)
O10i—Nd1—C4	96.84 (16)	C9—C8—H8A	118.7
O1—Nd1—C4	71.59 (17)	C7—C8—H8A	118.7
O4—Nd1—C4	24.58 (16)	C8—C9—H9A	120.0
O6—Nd1—C4	148.70 (16)	C8—C9—H9B	120.0
O5—Nd1—C4	25.61 (15)	H9A—C9—H9B	120.0
O7—Nd1—C4	162.07 (16)	O12—C10—O13	121.5 (7)
O2—Nd1—C1	74.59 (16)	O12—C10—C11	120.3 (7)
O3—Nd1—C1	95.6 (2)	O13—C10—C11	118.2 (7)
O15—Nd1—C1	88.21 (15)	O12—C10—Nd2	61.1 (4)
O10i—Nd1—C1	89.33 (16)	O13—C10—Nd2	60.4 (4)
O1—Nd1—C1	101.13 (16)	C11—C10—Nd2	175.9 (6)
O4—Nd1—C1	156.34 (16)	C12—C11—C10	123.8 (11)
O6—Nd1—C1	24.25 (15)	C12—C11—H11A	118.1
O5—Nd1—C1	152.81 (14)	C10—C11—H11A	118.1
O7—Nd1—C1	24.78 (15)	C11—C12—H12A	120.0
C4—Nd1—C1	172.70 (18)	C11—C12—H12B	120.0
O5—Nd2—O7ii	77.69 (14)	H12A—C12—H12B	120.0
O5—Nd2—O11	149.84 (17)	O11—C13—O10	121.6 (6)
O7ii—Nd2—O11	113.40 (15)	O11—C13—C14	119.4 (7)
O5—Nd2—O14	113.20 (14)	O10—C13—C14	118.9 (7)
O7ii—Nd2—O14	150.92 (17)	O11—C13—Nd2	56.0 (3)
O11—Nd2—O14	71.41 (16)	O10—C13—Nd2	65.7 (3)
O5—Nd2—O9	80.01 (15)	C14—C13—Nd2	175.3 (6)
O7ii—Nd2—O9	76.61 (15)	C15—C14—C13	122.3 (10)
O11—Nd2—O9	75.91 (17)	C15—C14—H14A	118.9
O14—Nd2—O9	130.62 (18)	C13—C14—H14A	118.9
O5—Nd2—O13	79.93 (15)	C14—C15—H15A	120.0
O7ii—Nd2—O13	78.88 (16)	C14—C15—H15B	120.0
O11—Nd2—O13	128.74 (18)	H15A—C15—H15B	120.0
O14—Nd2—O13	76.87 (18)	O9—C16—O8	120.4 (7)
O9—Nd2—O13	151.06 (17)	O9—C16—C17	121.0 (7)
O5—Nd2—O12	126.24 (15)	O8—C16—C17	118.6 (7)
O7ii—Nd2—O12	75.06 (15)	O9—C16—Nd2	58.2 (4)
O11—Nd2—O12	83.88 (17)	O8—C16—Nd2	62.2 (4)
O14—Nd2—O12	77.10 (16)	C17—C16—Nd2	176.7 (7)
O9—Nd2—O12	134.73 (14)	C18—C17—C16	120.1 (11)
O13—Nd2—O12	49.93 (15)	C18—C17—H17A	120.0
O5—Nd2—O8	73.69 (15)	C16—C17—H17A	120.0
O7ii—Nd2—O8	122.36 (15)	C17—C18—H18A	120.0
O11—Nd2—O8	76.95 (17)	C17—C18—H18B	120.0
O14—Nd2—O8	86.70 (17)	H18A—C18—H18B	120.0
O9—Nd2—O8	50.00 (15)	Nd1—O1—H1	117.5
O13—Nd2—O8	140.23 (14)	Nd1—O1—H2	127.9
O12—Nd2—O8	158.09 (16)	H1—O1—H2	109.7
O5—Nd2—O15	63.70 (13)	Nd1—O2—H3	118.6
O7ii—Nd2—O15	134.05 (14)	Nd1—O2—H4	131.5
O11—Nd2—O15	112.49 (15)	H3—O2—H4	109.5
O14—Nd2—O15	49.58 (14)	Nd1—O3—H5	107.0
O9—Nd2—O15	117.26 (15)	Nd1—O3—H6	115.2
O13—Nd2—O15	71.02 (16)	H5—O3—H6	109.7
O12—Nd2—O15	107.85 (14)	C4—O4—Nd1	98.9 (4)
O8—Nd2—O15	70.77 (15)	C4—O5—Nd2	150.0 (4)
O5—Nd2—O10	134.66 (13)	C4—O5—Nd1	91.6 (4)
O7ii—Nd2—O10	64.17 (13)	Nd2—O5—Nd1	116.07 (15)
O11—Nd2—O10	49.41 (14)	C1—O6—Nd1	96.0 (4)
O14—Nd2—O10	112.03 (14)	C1—O7—Nd2i	147.0 (4)
O9—Nd2—O10	68.48 (14)	C1—O7—Nd1	94.2 (4)
O13—Nd2—O10	113.55 (14)	Nd2i—O7—Nd1	116.12 (15)
O12—Nd2—O10	67.59 (14)	C16—O8—Nd2	92.4 (4)
O8—Nd2—O10	106.17 (14)	C16—O9—Nd2	97.2 (4)
O15—Nd2—O10	160.80 (13)	C13—O10—Nd1ii	155.0 (4)
O5—Nd2—C10	103.23 (18)	C13—O10—Nd2	89.2 (4)
O7ii—Nd2—C10	75.35 (17)	Nd1ii—O10—Nd2	114.15 (15)
O11—Nd2—C10	106.7 (2)	C13—O11—Nd2	99.7 (4)
O14—Nd2—C10	75.88 (19)	C10—O12—Nd2	94.0 (4)
O9—Nd2—C10	150.29 (17)	C10—O13—Nd2	94.6 (4)
O13—Nd2—C10	25.02 (17)	C7—O14—Nd2	99.2 (4)
O12—Nd2—C10	24.91 (17)	C7—O15—Nd1	150.9 (4)
O8—Nd2—C10	159.58 (16)	C7—O15—Nd2	89.7 (4)
O15—Nd2—C10	89.62 (17)	Nd1—O15—Nd2	115.31 (16)
O10—Nd2—C10	90.43 (17)	H7—O16—H8	116.9
O5—Nd2—C7	88.98 (16)	H9—O17—H10	109.7
O7ii—Nd2—C7	147.14 (17)	H11—O18—H12	110.4
O11—Nd2—C7	93.18 (17)

D—H···A	D—H	H···A	D···A	D—H···A
O1—H1···O8	0.85	1.98	2.808 (6)	166
O1—H2···O16	0.85	1.92	2.751 (7)	164
O2—H3···O12i	0.85	1.91	2.723 (6)	161
O2—H4···O17	0.85	1.89	2.723 (7)	168
O3—H5···O9i	0.85	1.80	2.637 (7)	169
O3—H6···O13	0.85	2.15	2.647 (7)	117
O16—H7···O6iii	0.85	1.96	2.809 (7)	180
O16—H8···O17	0.85	1.92	2.772 (8)	180
O17—H9···O8iii	0.85	1.96	2.806 (7)	170
O17—H10···O18iv	0.85	2.03	2.859 (9)	163
O18—H12···O11v	0.85	2.77	3.169 (8)	110
O18—H12···O14v	0.85	2.29	3.139 (8)	180

Table 1

Hydrogen-bond geometry (Å, °)

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
O1—H1⋯O8	0.85	1.98	2.808 (6)	166
O1—H2⋯O16	0.85	1.92	2.751 (7)	164
O2—H3⋯O12i	0.85	1.91	2.723 (6)	161
O2—H4⋯O17	0.85	1.89	2.723 (7)	168
O3—H5⋯O9i	0.85	1.80	2.637 (7)	169
O3—H6⋯O13	0.85	2.15	2.647 (7)	117
O16—H7⋯O6ii	0.85	1.96	2.809 (7)	180
O16—H8⋯O17	0.85	1.92	2.772 (8)	180
O17—H9⋯O8ii	0.85	1.96	2.806 (7)	170
O17—H10⋯O18iii	0.85	2.03	2.859 (9)	163
O18—H12⋯O11iv	0.85	2.77	3.169 (8)	110
O18—H12⋯O14iv	0.85	2.29	3.139 (8)	180

Symmetry codes: (i) ; (ii) ; (iii) ; (iv) .