Poly[diethyl-enetriammonium [aquadi-μ(2)-sulfato-sulfatocerium(III)]].

A new organically templated open-framework cerium sulfate, {(C(4)H(16)N(3))[Ce(SO(4))(3)(H(2)O)]}(n), was hydro-thermally synthesized. The Ce(III) cation is nine-coordinated by nine O atoms, including one water mol-ecule. Two of the SO(4) groups afford one monodentate and bidentate linkages as the bridge to connect adjacent Ce(III) cations, while the third SO(4) group attaches the Ce(III) cation in a bidentate mode. The crystal structure consists of layers composed of eight-membered-ring networks formed by four CeO(9) polyhedra and four SO(4) tetra-hedra. The triply protonated diethyl-enetriamine cations are located between adjacent layers and connect the layers via hydrogen bonds.

Related literature

For related literature, see: Choudhury et al. (2001 ▶); Fu et al. (2006 ▶); Paul et al. (2002 ▶); Rao et al. (2006 ▶); Wickleder (2002 ▶).

Experimental

Crystal data

(C4H16N3)[Ce(SO4)3(H2O)]

M = 552.51

Monoclinic,

a = 6.6774 (13) Å

b = 10.397 (2) Å

c = 11.093 (2) Å

β = 93.77 (3)°

V = 768.5 (3) Å3

Z = 2

Mo Kα radiation

μ = 3.44 mm−1

T = 293 K

0.25 × 0.22 × 0.19 mm

Data collection

Rigaku R-AXIS RAPID diffractometer

Absorption correction: empirical (using intensity measurements) (ABSCOR; Higashi, 1995 ▶) T min = 0.480, T max = 0.561

7575 measured reflections

3485 independent reflections

3443 reflections with I > 2σ(I)

R int = 0.017

Refinement

R[F 2 > 2σ(F 2)] = 0.015

wR(F 2) = 0.041

S = 1.15

3485 reflections

225 parameters

4 restraints

H atoms treated by a mixture of independent and constrained refinement

Δρmax = 0.56 e Å−3

Δρmin = −0.71 e Å−3

Absolute structure: Flack (1983 ▶)

Flack parameter: −0.009 (8)

Data collection: PROCESS-AUTO (Rigaku, 1998 ▶); cell refinement: PROCESS-AUTO; data reduction: CrystalStructure (Rigaku/MSC, 2002 ▶); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008 ▶); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008 ▶); molecular graphics: DIAMOND (Brandenburg, 2000 ▶); software used to prepare material for publication: SHELXL97.

Crystal structure: contains datablocks I, global. DOI: 10.1107/S1600536810016600/hb5433sup1.cif

Structure factors: contains datablocks I. DOI: 10.1107/S1600536810016600/hb5433Isup2.hkl

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

(C4H16N3)[Ce(SO4)3(H2O)]	F(000) = 546
Mr = 552.51	Dx = 2.388 Mg m−3
Monoclinic, P21	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: P 2yb	Cell parameters from 1000 reflections
a = 6.6774 (13) Å	θ = 3.1–24.8°
b = 10.397 (2) Å	µ = 3.44 mm−1
c = 11.093 (2) Å	T = 293 K
β = 93.77 (3)°	Block, colorless
V = 768.5 (3) Å3	0.25 × 0.22 × 0.19 mm
Z = 2

Rigaku R-AXIS RAPID diffractometer	3485 independent reflections
Radiation source: fine-focus sealed tube	3443 reflections with I > 2σ(I)
graphite	Rint = 0.017
Detector resolution: 10.00 pixels mm-1	θmax = 27.5°, θmin = 3.1°
ω scans	h = −7→8
Absorption correction: empirical (using intensity measurements) (ABSCOR; Higashi, 1995)	k = −13→13
Tmin = 0.480, Tmax = 0.561	l = −14→14
7575 measured reflections

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)] = 0.015	H atoms treated by a mixture of independent and constrained refinement
wR(F2) = 0.041	w = 1/[σ2(Fo2) + (0.005P)2 + 0.1027P] where P = (Fo2 + 2Fc2)/3
S = 1.15	(Δ/σ)max = 0.001
3485 reflections	Δρmax = 0.56 e Å−3
225 parameters	Δρmin = −0.71 e Å−3
4 restraints	Absolute structure: Flack (1983)
Primary atom site location: structure-invariant direct methods	Flack parameter: −0.009 (8)

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
Ce1	0.468643 (16)	0.636197 (16)	0.819119 (10)	0.00928 (4)
S1	1.00549 (10)	0.68984 (7)	0.75724 (6)	0.01204 (13)
S2	0.57509 (11)	0.41208 (7)	0.63748 (6)	0.01388 (14)
S3	0.57345 (10)	0.97128 (6)	0.93682 (6)	0.01258 (13)
O1	0.5483 (3)	0.8315 (2)	0.9420 (2)	0.0190 (4)
O2	0.3896 (3)	1.0370 (2)	0.97444 (19)	0.0198 (4)
O3	0.5087 (3)	0.5445 (2)	0.60536 (19)	0.0199 (4)
O4	0.6164 (4)	1.0119 (2)	0.81523 (19)	0.0249 (5)
O5	1.1298 (3)	0.5804 (2)	0.71992 (18)	0.0181 (4)
O6	0.5651 (3)	0.40504 (19)	0.77192 (18)	0.0172 (4)
O7	0.8387 (2)	0.6423 (3)	0.82503 (16)	0.0198 (4)
O8	1.1447 (3)	0.7667 (2)	0.83878 (18)	0.0160 (4)
O9	0.7341 (3)	1.01219 (19)	1.02740 (19)	0.0178 (4)
O10	0.9302 (3)	0.7643 (2)	0.6533 (2)	0.0264 (5)
O11	0.4326 (3)	0.3179 (2)	0.5804 (2)	0.0242 (5)
O12	0.7762 (3)	0.3875 (2)	0.6036 (2)	0.0276 (5)
O1W	0.4833 (4)	0.8105 (2)	0.66809 (19)	0.0199 (4)
H1F	0.529 (5)	0.879 (2)	0.696 (3)	0.024*
H1G	0.520 (5)	0.799 (3)	0.600 (2)	0.024*
N1	−0.0899 (4)	0.3572 (3)	0.9309 (2)	0.0214 (5)
H1A	−0.1665	0.3382	0.9912	0.026*
H1B	−0.1653	0.3921	0.8703	0.026*
H1C	0.0049	0.4127	0.9567	0.026*
N2	0.2464 (4)	0.1635 (2)	0.7422 (2)	0.0204 (6)
H2A	0.3274	0.1334	0.8039	0.025*
H2B	0.3257	0.1928	0.6856	0.025*
N3	−0.0952 (4)	−0.0122 (3)	0.5183 (2)	0.0245 (6)
H3A	−0.1851	0.0142	0.4609	0.029*
H3B	−0.1518	−0.0693	0.5653	0.029*
H3C	0.0079	−0.0486	0.4845	0.029*
C1	0.0052 (5)	0.2382 (3)	0.8884 (3)	0.0223 (6)
H1D	−0.0969	0.1769	0.8604	0.027*
H1E	0.0873	0.1992	0.9540	0.027*
C2	0.1330 (5)	0.2739 (3)	0.7870 (3)	0.0182 (6)
H2C	0.0477	0.3090	0.7208	0.022*
H2D	0.2268	0.3405	0.8147	0.022*
C3	0.1272 (5)	0.0532 (3)	0.6894 (3)	0.0234 (7)
H3D	0.0579	0.0108	0.7524	0.028*
H3E	0.2169	−0.0087	0.6558	0.028*
C4	−0.0234 (5)	0.0989 (3)	0.5919 (3)	0.0279 (8)
H4A	−0.1355	0.1398	0.6280	0.034*
H4B	0.0383	0.1615	0.5412	0.034*

	U11	U22	U33	U12	U13	U23
Ce1	0.00800 (7)	0.00962 (6)	0.01010 (6)	−0.00022 (6)	−0.00020 (5)	−0.00028 (7)
S1	0.0082 (3)	0.0151 (3)	0.0127 (3)	−0.0003 (2)	−0.0003 (3)	0.0010 (2)
S2	0.0137 (3)	0.0150 (3)	0.0128 (3)	0.0005 (3)	−0.0002 (3)	−0.0029 (2)
S3	0.0141 (3)	0.0122 (3)	0.0113 (3)	−0.0004 (2)	−0.0007 (3)	−0.0016 (2)
O1	0.0245 (11)	0.0130 (10)	0.0190 (10)	−0.0016 (8)	−0.0016 (9)	−0.0026 (8)
O2	0.0165 (10)	0.0207 (10)	0.0216 (10)	0.0066 (8)	−0.0027 (9)	−0.0042 (8)
O3	0.0222 (11)	0.0194 (10)	0.0178 (10)	0.0059 (8)	−0.0012 (9)	0.0004 (8)
O4	0.0369 (13)	0.0251 (12)	0.0131 (10)	−0.0070 (10)	0.0043 (10)	0.0000 (8)
O5	0.0118 (9)	0.0214 (10)	0.0208 (10)	0.0010 (8)	−0.0019 (9)	−0.0082 (8)
O6	0.0212 (10)	0.0181 (10)	0.0118 (9)	−0.0005 (8)	−0.0022 (9)	0.0000 (8)
O7	0.0102 (7)	0.0279 (10)	0.0216 (8)	−0.0029 (11)	0.0029 (7)	0.0037 (12)
O8	0.0133 (9)	0.0177 (10)	0.0171 (9)	−0.0015 (7)	0.0012 (8)	−0.0040 (8)
O9	0.0142 (9)	0.0185 (10)	0.0202 (10)	−0.0012 (8)	−0.0033 (9)	−0.0053 (8)
O10	0.0243 (11)	0.0317 (13)	0.0220 (11)	0.0019 (10)	−0.0074 (10)	0.0097 (9)
O11	0.0277 (12)	0.0270 (12)	0.0176 (10)	−0.0095 (10)	−0.0012 (10)	−0.0062 (9)
O12	0.0199 (10)	0.0321 (13)	0.0317 (12)	0.0067 (9)	0.0077 (10)	−0.0061 (10)
O1W	0.0268 (11)	0.0179 (11)	0.0153 (10)	−0.0013 (10)	0.0034 (9)	0.0011 (8)
N1	0.0179 (13)	0.0301 (15)	0.0164 (11)	−0.0004 (10)	0.0017 (11)	0.0016 (10)
N2	0.0166 (11)	0.0171 (16)	0.0268 (12)	0.0019 (9)	−0.0046 (11)	−0.0027 (9)
N3	0.0334 (15)	0.0221 (14)	0.0174 (12)	−0.0037 (11)	−0.0025 (12)	0.0021 (10)
C1	0.0245 (16)	0.0212 (15)	0.0213 (14)	−0.0046 (12)	0.0027 (13)	0.0043 (11)
C2	0.0202 (14)	0.0151 (14)	0.0193 (13)	−0.0008 (11)	0.0025 (12)	−0.0001 (11)
C3	0.0255 (16)	0.0140 (14)	0.0300 (16)	0.0022 (11)	−0.0046 (14)	−0.0006 (12)
C4	0.0401 (19)	0.0169 (15)	0.0250 (15)	0.0030 (12)	−0.0111 (16)	−0.0025 (11)

Ce1—O7	2.4685 (17)	N1—C1	1.481 (4)
Ce1—O1W	2.474 (2)	N1—H1A	0.8900
Ce1—O1	2.484 (2)	N1—H1B	0.8900
Ce1—O5i	2.518 (2)	N1—H1C	0.8900
Ce1—O6	2.551 (2)	N2—C2	1.479 (4)
Ce1—O8i	2.575 (2)	N2—C3	1.493 (4)
Ce1—O3	2.586 (2)	N2—H2A	0.9000
Ce1—O9ii	2.588 (2)	N2—H2B	0.9000
Ce1—O2ii	2.631 (2)	N3—C4	1.476 (4)
S1—O10	1.451 (2)	N3—H3A	0.8900
S1—O7	1.470 (2)	N3—H3B	0.8900
S1—O5	1.483 (2)	N3—H3C	0.8900
S1—O8	1.487 (2)	C1—C2	1.502 (4)
S2—O12	1.441 (2)	C1—H1D	0.9700
S2—O11	1.478 (2)	C1—H1E	0.9700
S2—O3	1.482 (2)	C2—H2C	0.9700
S2—O6	1.499 (2)	C2—H2D	0.9700
S3—O4	1.460 (2)	C3—C4	1.504 (4)
S3—O1	1.465 (2)	C3—H3D	0.9700
S3—O9	1.483 (2)	C3—H3E	0.9700
S3—O2	1.488 (2)	C4—H4A	0.9700
O1W—H1F	0.828 (18)	C4—H4B	0.9700
O1W—H1G	0.813 (18)
O7—Ce1—O1W	85.13 (8)	O11—S2—O3	109.76 (14)
O7—Ce1—O1	77.68 (8)	O11—S2—O3	109.76 (14)
O1W—Ce1—O1	75.90 (8)	O12—S2—O6	110.75 (13)
O7—Ce1—O5i	152.47 (7)	O11—S2—O6	108.94 (13)
O1W—Ce1—O5i	86.97 (8)	O11—S2—O6	108.94 (13)
O1—Ce1—O5i	125.59 (7)	O3—S2—O6	104.62 (12)
O7—Ce1—O6	76.34 (8)	O12—S2—Ce1	122.98 (10)
O1W—Ce1—O6	121.95 (7)	O11—S2—Ce1	126.18 (10)
O1—Ce1—O6	146.61 (7)	O11—S2—Ce1	126.18 (10)
O5i—Ce1—O6	85.70 (7)	O3—S2—Ce1	53.00 (8)
O7—Ce1—O8i	146.03 (8)	O6—S2—Ce1	51.77 (8)
O1W—Ce1—O8i	75.06 (7)	O4—S3—O1	110.70 (14)
O1—Ce1—O8i	70.94 (7)	O4—S3—O1	110.70 (14)
O5i—Ce1—O8i	54.73 (6)	O4—S3—O9	111.45 (13)
O6—Ce1—O8i	137.61 (6)	O4—S3—O9	111.45 (13)
O7—Ce1—O3	82.53 (7)	O1—S3—O9	109.74 (12)
O1W—Ce1—O3	68.78 (7)	O4—S3—O2	109.99 (14)
O1—Ce1—O3	140.66 (7)	O4—S3—O2	109.99 (14)
O5i—Ce1—O3	70.03 (7)	O1—S3—O2	110.21 (14)
O6—Ce1—O3	54.67 (6)	O9—S3—O2	104.58 (12)
O8i—Ce1—O3	114.22 (7)	O4—S3—Ce1iv	130.80 (10)
O7—Ce1—O9ii	124.15 (7)	O4—S3—Ce1iv	130.80 (10)
O1W—Ce1—O9ii	148.88 (7)	O1—S3—Ce1iv	118.49 (10)
O1—Ce1—O9ii	98.55 (7)	O9—S3—Ce1iv	51.63 (9)
O5i—Ce1—O9ii	71.27 (7)	O2—S3—Ce1iv	53.35 (8)
O6—Ce1—O9ii	79.38 (7)	S3—O1—Ce1	144.17 (13)
O8i—Ce1—O9ii	74.23 (7)	S3—O2—Ce1iv	99.66 (10)
O3—Ce1—O9ii	120.64 (7)	S2—O3—Ce1	99.75 (10)
O7—Ce1—O2ii	71.62 (7)	S1—O5—Ce1iii	101.82 (10)
O1W—Ce1—O2ii	148.08 (7)	S2—O6—Ce1	100.75 (10)
O1—Ce1—O2ii	77.94 (7)	S1—O7—Ce1	141.80 (12)
O5i—Ce1—O2ii	123.49 (7)	S1—O8—Ce1iii	99.21 (10)
O6—Ce1—O2ii	74.22 (7)	S3—O9—Ce1iv	101.66 (10)
O8i—Ce1—O2ii	112.91 (7)	Ce1—O1W—H1F	114 (3)
O3—Ce1—O2ii	126.92 (7)	Ce1—O1W—H1G	123 (3)
O9ii—Ce1—O2ii	53.54 (6)	H1F—O1W—H1G	110 (3)
O7—Ce1—S1i	163.95 (6)	C1—N1—H1A	109.5
O1W—Ce1—S1i	78.82 (6)	C1—N1—H1B	109.5
O1—Ce1—S1i	98.37 (5)	H1A—N1—H1B	109.5
O5i—Ce1—S1i	27.23 (5)	C1—N1—H1C	109.5
O6—Ce1—S1i	112.13 (5)	H1A—N1—H1C	109.5
O8i—Ce1—S1i	27.55 (4)	H1B—N1—H1C	109.5
O3—Ce1—S1i	91.41 (6)	C2—N2—C3	117.1 (2)
O9ii—Ce1—S1i	71.66 (5)	C2—N2—H2A	108.0
O2ii—Ce1—S1i	123.17 (5)	C3—N2—H2A	108.0
O7—Ce1—S2	76.78 (6)	C2—N2—H2B	108.0
O1W—Ce1—S2	94.98 (6)	C3—N2—H2B	108.0
O1—Ce1—S2	153.51 (6)	H2A—N2—H2B	107.3
O5i—Ce1—S2	77.70 (5)	C4—N3—H3A	109.5
O6—Ce1—S2	27.48 (4)	C4—N3—H3B	109.5
O8i—Ce1—S2	131.42 (5)	H3A—N3—H3B	109.5
O3—Ce1—S2	27.25 (5)	C4—N3—H3C	109.5
O9ii—Ce1—S2	101.51 (5)	H3A—N3—H3C	109.5
O2ii—Ce1—S2	100.43 (5)	H3B—N3—H3C	109.5
S1i—Ce1—S2	104.25 (3)	N1—C1—C2	108.0 (2)
O7—Ce1—S3ii	97.66 (6)	N1—C1—H1D	110.1
O1W—Ce1—S3ii	164.83 (5)	C2—C1—H1D	110.1
O1—Ce1—S3ii	90.07 (5)	N1—C1—H1E	110.1
O5i—Ce1—S3ii	96.83 (6)	C2—C1—H1E	110.1
O6—Ce1—S3ii	73.10 (5)	H1D—C1—H1E	108.4
O8i—Ce1—S3ii	95.10 (5)	N2—C2—C1	112.9 (2)
O3—Ce1—S3ii	126.32 (5)	N2—C2—H2C	109.0
O9ii—Ce1—S3ii	26.70 (4)	C1—C2—H2C	109.0
O2ii—Ce1—S3ii	26.99 (4)	N2—C2—H2D	109.0
S1i—Ce1—S3ii	97.89 (3)	C1—C2—H2D	109.0
S2—Ce1—S3ii	100.18 (2)	H2C—C2—H2D	107.8
O10—S1—O7	110.58 (13)	N2—C3—C4	110.7 (2)
O10—S1—O5	111.01 (14)	N2—C3—H3D	109.5
O7—S1—O5	109.98 (15)	C4—C3—H3D	109.5
O10—S1—O8	111.51 (13)	N2—C3—H3E	109.5
O7—S1—O8	109.51 (12)	C4—C3—H3E	109.5
O5—S1—O8	104.08 (11)	H3D—C3—H3E	108.1
O10—S1—Ce1iii	123.20 (11)	N3—C4—C3	109.2 (3)
O7—S1—Ce1iii	126.20 (9)	N3—C4—H4A	109.8
O5—S1—Ce1iii	50.96 (8)	C3—C4—H4A	109.8
O8—S1—Ce1iii	53.24 (8)	N3—C4—H4B	109.8
O12—S2—O11	110.80 (15)	C3—C4—H4B	109.8
O12—S2—O11	110.80 (15)	H4A—C4—H4B	108.3
O12—S2—O3	111.77 (14)
O7—Ce1—S2—O12	−5.76 (14)	O4—S3—O2—Ce1iv	−126.59 (11)
O1W—Ce1—S2—O12	78.04 (14)	O4—S3—O2—Ce1iv	−126.59 (11)
O1—Ce1—S2—O12	9.97 (17)	O1—S3—O2—Ce1iv	111.08 (11)
O5i—Ce1—S2—O12	163.83 (14)	O9—S3—O2—Ce1iv	−6.81 (12)
O6—Ce1—S2—O12	−91.51 (16)	O12—S2—O3—Ce1	−115.66 (13)
O8i—Ce1—S2—O12	152.48 (14)	O11—S2—O3—Ce1	120.98 (12)
O3—Ce1—S2—O12	93.70 (17)	O11—S2—O3—Ce1	120.98 (12)
O9ii—Ce1—S2—O12	−128.49 (13)	O6—S2—O3—Ce1	4.23 (12)
O2ii—Ce1—S2—O12	−73.88 (13)	O7—Ce1—O3—S2	75.58 (12)
S1i—Ce1—S2—O12	157.75 (12)	O1W—Ce1—O3—S2	163.23 (14)
S3ii—Ce1—S2—O12	−101.32 (13)	O1—Ce1—O3—S2	135.61 (11)
O7—Ce1—S2—O11	172.06 (13)	O5i—Ce1—O3—S2	−102.14 (12)
O1W—Ce1—S2—O11	−104.14 (14)	O6—Ce1—O3—S2	−2.95 (8)
O1—Ce1—S2—O11	−172.22 (17)	O8i—Ce1—O3—S2	−135.32 (10)
O5i—Ce1—S2—O11	−18.35 (13)	O9ii—Ce1—O3—S2	−49.90 (13)
O6—Ce1—S2—O11	86.31 (16)	O2ii—Ce1—O3—S2	15.33 (15)
O8i—Ce1—S2—O11	−29.70 (14)	S1i—Ce1—O3—S2	−119.34 (10)
O3—Ce1—S2—O11	−88.48 (17)	S3ii—Ce1—O3—S2	−18.47 (13)
O9ii—Ce1—S2—O11	49.33 (13)	O1—S3—O4—O4	0.0 (7)
O2ii—Ce1—S2—O11	103.93 (13)	O9—S3—O4—O4	0.0 (7)
S1i—Ce1—S2—O11	−24.43 (12)	O2—S3—O4—O4	0.0 (7)
S3ii—Ce1—S2—O11	76.49 (12)	Ce1iv—S3—O4—O4	0.0 (8)
O7—Ce1—S2—O11	172.06 (13)	O10—S1—O5—Ce1iii	116.35 (13)
O1W—Ce1—S2—O11	−104.14 (14)	O7—S1—O5—Ce1iii	−120.96 (10)
O1—Ce1—S2—O11	−172.22 (17)	O8—S1—O5—Ce1iii	−3.73 (13)
O5i—Ce1—S2—O11	−18.35 (13)	O12—S2—O6—Ce1	116.27 (13)
O6—Ce1—S2—O11	86.31 (16)	O11—S2—O6—Ce1	−121.62 (12)
O8i—Ce1—S2—O11	−29.70 (14)	O11—S2—O6—Ce1	−121.62 (12)
O3—Ce1—S2—O11	−88.48 (17)	O3—S2—O6—Ce1	−4.30 (12)
O9ii—Ce1—S2—O11	49.33 (13)	O7—Ce1—O6—S2	−87.55 (11)
O2ii—Ce1—S2—O11	103.93 (13)	O1W—Ce1—O6—S2	−12.30 (13)
S1i—Ce1—S2—O11	−24.43 (12)	O1—Ce1—O6—S2	−127.41 (12)
S3ii—Ce1—S2—O11	76.49 (12)	O5i—Ce1—O6—S2	71.42 (11)
O7—Ce1—S2—O3	−99.46 (13)	O8i—Ce1—O6—S2	91.15 (13)
O1W—Ce1—S2—O3	−15.66 (13)	O3—Ce1—O6—S2	2.92 (8)
O1—Ce1—S2—O3	−83.74 (16)	O9ii—Ce1—O6—S2	143.15 (11)
O5i—Ce1—S2—O3	70.13 (13)	O2ii—Ce1—O6—S2	−161.97 (11)
O6—Ce1—S2—O3	174.79 (15)	S1i—Ce1—O6—S2	78.11 (10)
O8i—Ce1—S2—O3	58.78 (13)	S3ii—Ce1—O6—S2	169.90 (10)
O9ii—Ce1—S2—O3	137.81 (12)	O10—S1—O7—Ce1	3.9 (3)
O2ii—Ce1—S2—O3	−167.59 (12)	O5—S1—O7—Ce1	−119.0 (2)
S1i—Ce1—S2—O3	64.05 (11)	O8—S1—O7—Ce1	127.2 (2)
S3ii—Ce1—S2—O3	164.97 (11)	Ce1iii—S1—O7—Ce1	−174.67 (17)
O7—Ce1—S2—O6	85.75 (12)	O1W—Ce1—O7—S1	−16.4 (3)
O1W—Ce1—S2—O6	169.55 (12)	O1—Ce1—O7—S1	−93.0 (3)
O1—Ce1—S2—O6	101.48 (15)	O5i—Ce1—O7—S1	57.5 (4)
O5i—Ce1—S2—O6	−104.66 (12)	O6—Ce1—O7—S1	108.2 (3)
O8i—Ce1—S2—O6	−116.01 (12)	O8i—Ce1—O7—S1	−70.3 (3)
O3—Ce1—S2—O6	−174.79 (15)	O3—Ce1—O7—S1	52.8 (3)
O9ii—Ce1—S2—O6	−36.98 (11)	O9ii—Ce1—O7—S1	175.0 (2)
O2ii—Ce1—S2—O6	17.63 (11)	O2ii—Ce1—O7—S1	−174.2 (3)
S1i—Ce1—S2—O6	−110.74 (10)	S1i—Ce1—O7—S1	−15.7 (5)
S3ii—Ce1—S2—O6	−9.81 (10)	S2—Ce1—O7—S1	79.9 (3)
O4—S3—O1—Ce1	−21.6 (3)	S3ii—Ce1—O7—S1	178.6 (3)
O4—S3—O1—Ce1	−21.6 (3)	O10—S1—O8—Ce1iii	−116.13 (12)
O9—S3—O1—Ce1	−145.0 (2)	O7—S1—O8—Ce1iii	121.17 (12)
O2—S3—O1—Ce1	100.3 (2)	O5—S1—O8—Ce1iii	3.62 (12)
Ce1iv—S3—O1—Ce1	158.70 (17)	O4—S3—O9—Ce1iv	125.76 (12)
O7—Ce1—O1—S3	93.1 (2)	O4—S3—O9—Ce1iv	125.76 (12)
O1W—Ce1—O1—S3	5.1 (2)	O1—S3—O9—Ce1iv	−111.24 (12)
O5i—Ce1—O1—S3	−70.6 (3)	O2—S3—O9—Ce1iv	6.96 (13)
O6—Ce1—O1—S3	132.7 (2)	O12—S2—O11—O11	0.0 (2)
O8i—Ce1—O1—S3	−73.7 (2)	O3—S2—O11—O11	0.0 (2)
O3—Ce1—O1—S3	31.6 (3)	O6—S2—O11—O11	0.00 (19)
O9ii—Ce1—O1—S3	−143.6 (2)	Ce1—S2—O11—O11	0.00 (19)
O2ii—Ce1—O1—S3	166.7 (2)	C3—N2—C2—C1	61.8 (3)
S1i—Ce1—O1—S3	−71.1 (2)	N1—C1—C2—N2	176.3 (2)
S2—Ce1—O1—S3	77.5 (3)	C2—N2—C3—C4	53.3 (4)
S3ii—Ce1—O1—S3	−169.0 (2)	N2—C3—C4—N3	163.5 (3)

D—H···A	D—H	H···A	D···A	D—H···A
O1W—H1F···O4	0.83 (2)	1.98 (2)	2.766 (3)	159 (4)
O1W—H1G···O11v	0.81 (2)	2.06 (2)	2.850 (3)	164 (4)
N1—H1A···O8ii	0.89	2.02	2.769 (3)	141
N1—H1C···O9ii	0.89	2.02	2.883 (3)	162
N1—H1B···O6i	0.89	2.05	2.852 (3)	150
N2—H2B···O11	0.90	1.92	2.764 (4)	156
N2—H2A···O2vi	0.90	2.16	2.993 (3)	154
N2—H2A···O4vi	0.90	2.30	2.997 (3)	134
N3—H3A···O5vii	0.89	2.17	2.808 (3)	128
N3—H3A···O3viii	0.89	2.26	3.059 (4)	150
N3—H3C···O12vii	0.89	1.91	2.799 (4)	173
N3—H3B···O10ix	0.89	2.04	2.763 (4)	137

Table 1

Hydrogen-bond geometry (Å, °)

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
O1W—H1F⋯O4	0.83 (2)	1.98 (2)	2.766 (3)	159 (4)
O1W—H1G⋯O11i	0.81 (2)	2.06 (2)	2.850 (3)	164 (4)
N1—H1A⋯O8ii	0.89	2.02	2.769 (3)	141
N1—H1C⋯O9ii	0.89	2.02	2.883 (3)	162
N1—H1B⋯O6iii	0.89	2.05	2.852 (3)	150
N2—H2B⋯O11	0.90	1.92	2.764 (4)	156
N2—H2A⋯O2iv	0.90	2.16	2.993 (3)	154
N2—H2A⋯O4iv	0.90	2.30	2.997 (3)	134
N3—H3A⋯O5v	0.89	2.17	2.808 (3)	128
N3—H3A⋯O3vi	0.89	2.26	3.059 (4)	150
N3—H3C⋯O12v	0.89	1.91	2.799 (4)	173
N3—H3B⋯O10vii	0.89	2.04	2.763 (4)	137

Symmetry codes: (i) ; (ii) ; (iii) ; (iv) ; (v) ; (vi) ; (vii) .