Literature DB >> 23284318

Bis[4-(dimethyl-amino)-pyridinium] octa-aqua-chloridolanthanum(III) tetra-chloride trihydrate.

Meriem Benslimane1, Hocine Merazig, Jean-Claude Daran, Ouahida Zeghouan.   

Abstract

The title organic-inorganic salt, (C(7)n class="Species">H(11)N(2))(2)[LaCl(H(2)O)(8)]Cl(4)·3H(2)O, consists of two 4-(dimethyl-amino)-pyridinium and one [La(H(2)O)(8)Cl](2+) cations, four chloride anions and three solvent water mol-ecules. In the crystal, the various units are connected by N-H⋯Cl, O-H⋯Cl, O-H⋯O and N-H⋯O hydrogen bonds, forming a network of alternating organic and inorganic layers. The 4-(dimethyl-amino)-pyridinium cations stack along the c axis, while the inorganic layers lie parallel to the ac plane. The chloride anions are located between these entities, forming hydrogen bonds with the NH atom of the pyridinium ions and the water mol-ecules. There are also C-H⋯Cl hydrogen bonds present involving one of the 4-(dimethyl-amino)-pyridinium cations, resulting in the formation of a three-dimensional supra-molecular architecture.

Entities:  

Year:  2012        PMID： 23284318      PMCID： PMC3515091          DOI： 10.1107/S1600536812040901

Source DB:  PubMed          Journal:  Acta Crystallogr Sect E Struct Rep Online        ISSN： 1600-5368


Related literature

For common applications of organic–inorganic hybrid materials, see: Cui et al. (2000 ▶); Lacroix et al. (1994 ▶); Chakravarthy & Guloy (1997 ▶). For the crystal structures of compounds involving 4-(dimethyl­amino)­n class="Chemical">pyridinium, see: Chao et al. (1977 ▶); Mayr-Stein & Bolte (2000 ▶); Lo & Ng (2008 ▶, 2009 ▶); Koon et al. (2009 ▶). For hydrogen-bond motifs, see: Bernstein et al. (1995 ▶).

Experimental

Crystal data

(C7H11N2)2[LaCl(H2O)8]Cl4·3H2O M = 760.69 Triclinic, a = 9.6741 (4) Å b = 12.6695 (7) Å c = 14.3601 (7) Å α = 68.354 (5)° β = 75.273 (4)° γ = 84.264 (4)° V = 1582.16 (15) Å3 Z = 2 Mo Kα radiation μ = 1.82 mm−1 T = 180 K 0.43 × 0.28 × 0.08 mm

Data collection

Oxford Xcalibur Sapphire1 diffractometer Absorption correction: multi-scan (CrysAlis PRO; Agilent, 2011 ▶) T min = 0.548, T max = 0.864 33782 measured reflections 7144 independent reflections 6518 reflections with I > 2σ(I) R int = 0.038

Refinement

R[F 2 > 2σ(F 2)] = 0.023 wR(F 2) = 0.056 S = 1.11 7144 reflections 320 parameters H-atom parameters constrained Δρmax = 0.76 e Å−3 Δρmin = −1.03 e Å−3 Data collection: CrysAlis PRO (Agilent, 2011 ▶); cell refinement: CrysAlis PRO; data reduction: CrysAlis PRO; program(s) used to solve structure: SIR92 (Altomare et al., 1993 ▶); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008 ▶); molecular graphics: ORTEPIII (Burnett & Johnson, 1996 ▶) and ORTEP-3 for Windows (Farrugia, 2012 ▶); software used to prepare material for publication: SHELXL97. Click here for additional data file. Crystal structure: contains datablock(s) I, global. DOI: 10.1107/S1600536812040901/su2504sup1.cif Click here for additional data file. Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536812040901/su2504Isup2.hkl Additional supplementary materials: crystallographic information; 3D view; checkCIF report
(C7H11N2)2[LaCl(H2O)8]Cl4·3H2OZ = 2
Mr = 760.69F(000) = 772
Triclinic, P1Dx = 1.597 Mg m−3
Hall symbol: -P 1Mo Kα radiation, λ = 0.71073 Å
a = 9.6741 (4) ÅCell parameters from 22004 reflections
b = 12.6695 (7) Åθ = 3.0–28.3°
c = 14.3601 (7) ŵ = 1.82 mm−1
α = 68.354 (5)°T = 180 K
β = 75.273 (4)°Plate, colourless
γ = 84.264 (4)°0.43 × 0.28 × 0.08 mm
V = 1582.16 (15) Å3
Oxford Xcalibur Sapphire1 diffractometer7144 independent reflections
Radiation source: Enhance (Mo) X-ray Source6518 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.038
Detector resolution: 8.2632 pixels mm-1θmax = 27.5°, θmin = 3.0°
ω scansh = −12→12
Absorption correction: multi-scan (CrysAlis PRO; Agilent, 2011)k = −16→16
Tmin = 0.548, Tmax = 0.864l = −18→18
33782 measured reflections
Refinement on F2Primary atom site location: structure-invariant direct methods
Least-squares matrix: fullSecondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.023Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.056H-atom parameters constrained
S = 1.11w = 1/[σ2(Fo2) + (0.0257P)2 + 0.4439P] where P = (Fo2 + 2Fc2)/3
7144 reflections(Δ/σ)max = 0.003
320 parametersΔρmax = 0.76 e Å−3
0 restraintsΔρmin = −1.03 e Å−3
Geometry. Bond distances, angles etc. have been calculated using the rounded fractional coordinates. All su's are estimated from the variances of the (full) variance-covariance matrix. The cell esds are taken into account in the estimation of distances, angles and torsion angles
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 > 2sigma(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.
xyzUiso*/Ueq
La10.98356 (1)0.46700 (1)0.74019 (1)0.0192 (1)
Cl51.19118 (6)0.36620 (5)0.61364 (4)0.0342 (2)
O11.12672 (17)0.62452 (14)0.58572 (13)0.0428 (6)
O20.95865 (16)0.45114 (13)0.92689 (11)0.0297 (5)
O31.21742 (15)0.45676 (15)0.78883 (12)0.0346 (5)
O40.97883 (18)0.26017 (13)0.86085 (12)0.0361 (5)
O50.85068 (17)0.34195 (15)0.68566 (14)0.0436 (6)
O60.71719 (15)0.46052 (14)0.83325 (11)0.0343 (5)
O70.83661 (17)0.59127 (14)0.61058 (12)0.0374 (5)
O80.93133 (19)0.65745 (14)0.76941 (12)0.0383 (6)
N10.4241 (2)0.81063 (18)0.68388 (17)0.0442 (7)
N20.4146 (3)1.15628 (18)0.59093 (18)0.0461 (8)
C10.4218 (2)0.9227 (2)0.65305 (18)0.0322 (7)
C20.5477 (3)0.9873 (2)0.62318 (19)0.0370 (8)
C30.5401 (3)1.1014 (2)0.5933 (2)0.0416 (8)
C40.2929 (3)1.0995 (2)0.6179 (2)0.0479 (9)
C50.2927 (3)0.9862 (2)0.6480 (2)0.0436 (9)
C60.2940 (4)0.7466 (3)0.7103 (3)0.0670 (11)
C70.5568 (4)0.7456 (2)0.6892 (3)0.0618 (11)
N30.4436 (2)0.07909 (18)0.85825 (17)0.0432 (7)
N40.4840 (2)−0.26628 (19)0.94889 (18)0.0473 (8)
C80.4561 (2)−0.0328 (2)0.88707 (17)0.0334 (7)
C90.3378 (2)−0.1043 (2)0.9155 (2)0.0395 (8)
C100.3548 (3)−0.2174 (2)0.9445 (2)0.0465 (9)
C110.5998 (3)−0.2022 (2)0.9229 (2)0.0444 (8)
C120.5908 (2)−0.0884 (2)0.89126 (19)0.0378 (8)
C130.3050 (3)0.1370 (3)0.8590 (3)0.0613 (11)
C140.5691 (4)0.1508 (3)0.8259 (3)0.0609 (11)
Cl10.54269 (5)0.45268 (5)0.68027 (4)0.0344 (2)
Cl20.91549 (7)0.13843 (5)0.59452 (5)0.0433 (2)
Cl30.97602 (7)0.78867 (5)0.91759 (4)0.0388 (2)
Cl40.65967 (6)0.50633 (5)1.04257 (4)0.0340 (2)
O1W0.42022 (18)0.63535 (14)0.50183 (13)0.0391 (5)
O2W0.9449 (3)0.06121 (17)0.82838 (17)0.0733 (9)
O3W0.9016 (3)0.86973 (17)0.62175 (16)0.0676 (8)
H111.099600.680500.547100.0640*
H121.209500.616700.567800.0640*
H210.991100.391400.966500.0450*
H220.883800.471600.962200.0450*
H311.229000.461900.843100.0520*
H321.294000.446800.749900.0520*
H410.995900.242500.919600.0540*
H420.966300.199900.851800.0540*
H510.768900.359900.674300.0650*
H520.889300.295000.657400.0650*
H610.688100.481200.884500.0510*
H620.651000.463600.803300.0510*
H710.874900.611200.547100.0560*
H720.751300.570100.624700.0560*
H810.924500.719000.720200.0570*
H820.951100.670600.817900.0570*
H20.635900.950800.624300.0440*
H2A0.412401.229100.571800.0550*
H30.623401.142700.573900.0500*
H40.207001.139400.615600.0570*
H50.206700.948600.665900.0520*
H6A0.227500.760400.766900.1010*
H6B0.316600.667000.729600.1010*
H6C0.252200.770200.651800.1010*
H7A0.612000.756100.620600.0920*
H7B0.535300.666500.726000.0920*
H7C0.610600.771300.724400.0920*
H4A0.49240−0.339000.968500.0570*
H90.24700−0.072700.914200.0470*
H100.27570−0.262800.961900.0560*
H11A0.68830−0.237400.926800.0530*
H12A0.67300−0.045800.872000.0450*
H13A0.251200.108500.825800.0920*
H13B0.319400.217100.822900.0920*
H13C0.253500.123500.928900.0920*
H14A0.616700.130400.881300.0920*
H14B0.539700.229000.808300.0920*
H14C0.633300.140100.766900.0920*
H11W0.436100.610700.452700.0590*
H21W0.453100.591100.552100.0590*
H12W0.96180−0.009200.855500.1100*
H22W0.940900.075100.766700.1100*
H13W0.929300.930100.624800.1010*
H23W0.946700.866200.563700.1010*
U11U22U33U12U13U23
La10.0199 (1)0.0190 (1)0.0202 (1)0.0010 (1)−0.0061 (1)−0.0082 (1)
Cl50.0366 (3)0.0363 (3)0.0326 (3)0.0084 (2)−0.0054 (2)−0.0195 (3)
O10.0333 (9)0.0315 (10)0.0442 (10)0.0023 (7)0.0006 (7)0.0014 (8)
O20.0320 (8)0.0342 (9)0.0248 (7)0.0070 (7)−0.0090 (6)−0.0129 (7)
O30.0220 (7)0.0563 (11)0.0345 (8)0.0010 (7)−0.0080 (6)−0.0258 (8)
O40.0578 (11)0.0232 (9)0.0292 (8)−0.0007 (7)−0.0161 (7)−0.0077 (7)
O50.0318 (8)0.0492 (11)0.0738 (13)0.0131 (8)−0.0257 (8)−0.0438 (10)
O60.0251 (7)0.0533 (11)0.0307 (8)0.0001 (7)−0.0078 (6)−0.0214 (8)
O70.0343 (8)0.0452 (11)0.0312 (8)0.0027 (7)−0.0141 (7)−0.0083 (8)
O80.0621 (11)0.0244 (9)0.0325 (9)0.0036 (8)−0.0162 (8)−0.0124 (7)
N10.0510 (13)0.0267 (12)0.0516 (13)−0.0011 (10)−0.0022 (10)−0.0167 (10)
N20.0626 (15)0.0242 (11)0.0532 (14)0.0006 (10)−0.0205 (11)−0.0114 (10)
C10.0363 (12)0.0279 (12)0.0336 (12)0.0008 (10)−0.0043 (9)−0.0153 (10)
C20.0324 (12)0.0374 (14)0.0396 (13)0.0019 (10)−0.0075 (10)−0.0130 (11)
C30.0449 (14)0.0366 (15)0.0413 (14)−0.0113 (12)−0.0094 (11)−0.0093 (12)
C40.0444 (15)0.0405 (16)0.0643 (18)0.0127 (12)−0.0178 (13)−0.0249 (14)
C50.0326 (12)0.0411 (16)0.0624 (17)−0.0019 (11)−0.0070 (12)−0.0267 (14)
C60.078 (2)0.0392 (18)0.082 (2)−0.0244 (16)−0.0016 (18)−0.0250 (17)
C70.080 (2)0.0334 (16)0.068 (2)0.0189 (15)−0.0171 (17)−0.0187 (15)
N30.0473 (12)0.0294 (12)0.0466 (12)0.0040 (10)−0.0076 (10)−0.0096 (10)
N40.0484 (13)0.0284 (12)0.0572 (14)0.0009 (10)−0.0025 (11)−0.0133 (11)
C80.0348 (12)0.0335 (13)0.0300 (11)0.0025 (10)−0.0070 (9)−0.0102 (10)
C90.0262 (11)0.0425 (15)0.0491 (15)0.0028 (10)−0.0077 (10)−0.0170 (12)
C100.0385 (14)0.0438 (17)0.0563 (17)−0.0104 (12)−0.0038 (12)−0.0193 (14)
C110.0366 (13)0.0414 (16)0.0491 (15)0.0077 (11)−0.0074 (11)−0.0130 (13)
C120.0267 (11)0.0382 (15)0.0451 (14)−0.0026 (10)−0.0058 (10)−0.0123 (12)
C130.072 (2)0.0458 (18)0.067 (2)0.0261 (16)−0.0248 (17)−0.0222 (16)
C140.076 (2)0.0347 (17)0.0626 (19)−0.0163 (15)−0.0038 (16)−0.0109 (15)
Cl10.0247 (2)0.0445 (3)0.0366 (3)0.0009 (2)−0.0099 (2)−0.0158 (3)
Cl20.0529 (4)0.0348 (3)0.0459 (3)0.0063 (3)−0.0157 (3)−0.0177 (3)
Cl30.0485 (3)0.0358 (3)0.0342 (3)0.0040 (3)−0.0174 (3)−0.0110 (3)
Cl40.0317 (3)0.0403 (3)0.0372 (3)0.0066 (2)−0.0128 (2)−0.0208 (3)
O1W0.0455 (10)0.0304 (9)0.0404 (9)0.0044 (7)−0.0106 (8)−0.0125 (8)
O2W0.138 (2)0.0342 (12)0.0592 (13)0.0006 (13)−0.0433 (14)−0.0167 (10)
O3W0.1061 (18)0.0352 (12)0.0511 (12)0.0020 (11)−0.0040 (12)−0.0139 (10)
La1—Cl52.8829 (6)O1W—H11W0.8500
La1—O12.5585 (17)O1W—H21W0.8500
La1—O22.5632 (15)N4—H4A0.8600
La1—O32.5101 (15)O2W—H22W0.8500
La1—O42.5505 (17)O2W—H12W0.8500
La1—O52.5710 (19)O3W—H13W0.8500
La1—O62.5775 (15)O3W—H23W0.8500
La1—O72.5885 (17)C1—C21.418 (4)
La1—O82.5786 (19)C1—C51.419 (4)
O1—H110.7900C2—C31.348 (4)
O1—H120.7800C4—C51.338 (4)
O2—H210.8500C2—H20.9300
O2—H220.8500C3—H30.9300
O3—H310.8400C4—H40.9300
O3—H320.8400C5—H50.9300
O4—H410.8400C6—H6B0.9600
O4—H420.8500C6—H6C0.9600
O5—H510.8400C6—H6A0.9600
O5—H520.8500C7—H7C0.9600
O6—H610.8400C7—H7A0.9600
O6—H620.8500C7—H7B0.9600
O7—H710.8400C8—C91.412 (3)
O7—H720.8400C8—C121.422 (3)
O8—H810.8500C9—C101.342 (4)
O8—H820.8400C11—C121.343 (4)
N1—C11.322 (4)C9—H90.9300
N1—C61.456 (5)C10—H100.9300
N1—C71.458 (4)C11—H11A0.9300
N2—C31.339 (4)C12—H12A0.9300
N2—C41.336 (4)C13—H13B0.9600
N2—H2A0.8600C13—H13A0.9600
N3—C81.324 (4)C13—H13C0.9600
N3—C141.462 (5)C14—H14C0.9600
N3—C131.462 (4)C14—H14A0.9600
N4—C101.344 (4)C14—H14B0.9600
N4—C111.341 (4)
Cl5—La1—O170.83 (4)C4—N2—H2A120.00
Cl5—La1—O2130.08 (4)C8—N3—C14121.1 (2)
Cl5—La1—O372.34 (4)C13—N3—C14116.7 (3)
Cl5—La1—O478.77 (4)C8—N3—C13122.3 (2)
Cl5—La1—O571.63 (4)C10—N4—C11120.3 (3)
Cl5—La1—O6142.42 (4)H11W—O1W—H21W112.00
Cl5—La1—O7101.27 (4)C11—N4—H4A120.00
Cl5—La1—O8139.80 (4)C10—N4—H4A120.00
O1—La1—O2122.67 (5)H12W—O2W—H22W108.00
O1—La1—O377.88 (5)H13W—O3W—H23W107.00
O1—La1—O4146.68 (6)C2—C1—C5115.6 (2)
O1—La1—O5112.45 (6)N1—C1—C2122.3 (2)
O1—La1—O6130.10 (5)N1—C1—C5122.0 (2)
O1—La1—O765.71 (5)C1—C2—C3120.3 (3)
O1—La1—O870.66 (6)N2—C3—C2121.1 (3)
O2—La1—O365.87 (5)N2—C4—C5121.1 (3)
O2—La1—O468.56 (5)C1—C5—C4120.9 (3)
O2—La1—O5124.62 (6)C3—C2—H2120.00
O2—La1—O670.04 (5)C1—C2—H2120.00
O2—La1—O7128.53 (5)C2—C3—H3119.00
O2—La1—O865.90 (5)N2—C3—H3119.00
O3—La1—O480.24 (6)N2—C4—H4119.00
O3—La1—O5135.98 (6)C5—C4—H4119.00
O3—La1—O6135.89 (5)C4—C5—H5119.00
O3—La1—O7142.78 (6)C1—C5—H5120.00
O3—La1—O888.74 (6)H6A—C6—H6C109.00
O4—La1—O568.67 (6)N1—C6—H6B109.00
O4—La1—O682.76 (6)N1—C6—H6A109.00
O4—La1—O7135.63 (6)H6A—C6—H6B109.00
O4—La1—O8133.68 (5)N1—C6—H6C109.00
O5—La1—O671.22 (6)H6B—C6—H6C109.00
O5—La1—O769.44 (6)H7B—C7—H7C109.00
O5—La1—O8135.28 (6)N1—C7—H7A109.00
O6—La1—O770.55 (5)N1—C7—H7B109.00
O6—La1—O874.49 (6)H7A—C7—H7B109.00
O7—La1—O872.67 (6)H7A—C7—H7C109.00
La1—O1—H11130.00N1—C7—H7C110.00
La1—O1—H12119.00N3—C8—C9122.6 (2)
H11—O1—H12111.00N3—C8—C12121.6 (2)
La1—O2—H21117.00C9—C8—C12115.8 (2)
La1—O2—H22123.00C8—C9—C10120.8 (2)
H21—O2—H22108.00N4—C10—C9121.3 (3)
La1—O3—H31126.00N4—C11—C12121.5 (3)
La1—O3—H32121.00C8—C12—C11120.3 (2)
H31—O3—H32113.00C10—C9—H9120.00
La1—O4—H41121.00C8—C9—H9120.00
La1—O4—H42131.00N4—C10—H10119.00
H41—O4—H42109.00C9—C10—H10119.00
La1—O5—H51121.00N4—C11—H11A119.00
La1—O5—H52126.00C12—C11—H11A119.00
H51—O5—H52110.00C11—C12—H12A120.00
La1—O6—H61122.00C8—C12—H12A120.00
La1—O6—H62122.00N3—C13—H13B109.00
H61—O6—H62112.00H13A—C13—H13C109.00
La1—O7—H71119.00N3—C13—H13C109.00
La1—O7—H72114.00H13A—C13—H13B110.00
H71—O7—H72112.00N3—C13—H13A110.00
La1—O8—H81121.00H13B—C13—H13C109.00
La1—O8—H82124.00N3—C14—H14C110.00
H81—O8—H82111.00H14A—C14—H14C109.00
C1—N1—C6121.2 (2)H14B—C14—H14C109.00
C1—N1—C7121.9 (2)H14A—C14—H14B109.00
C6—N1—C7116.8 (3)N3—C14—H14A109.00
C3—N2—C4121.0 (2)N3—C14—H14B109.00
C3—N2—H2A119.00
C6—N1—C1—C2−177.6 (3)C5—C1—C2—C30.5 (4)
C7—N1—C1—C2−0.1 (4)N1—C1—C2—C3−179.3 (2)
C6—N1—C1—C52.6 (4)C2—C1—C5—C4−0.8 (4)
C7—N1—C1—C5−179.9 (3)N1—C1—C5—C4179.1 (2)
C3—N2—C4—C50.0 (4)C1—C2—C3—N2−0.1 (4)
C4—N2—C3—C2−0.2 (4)N2—C4—C5—C10.5 (4)
C13—N3—C8—C93.4 (4)C12—C8—C9—C100.1 (4)
C13—N3—C8—C12−176.6 (3)N3—C8—C9—C10−179.9 (2)
C14—N3—C8—C122.2 (4)N3—C8—C12—C11178.6 (2)
C14—N3—C8—C9−177.9 (3)C9—C8—C12—C11−1.4 (3)
C11—N4—C10—C9−0.8 (4)C8—C9—C10—N41.0 (4)
C10—N4—C11—C12−0.5 (4)N4—C11—C12—C81.6 (4)
D—H···AD—HH···AD···AD—H···A
N2—H2A···Cl5i0.862.713.314 (3)129
N2—H2A···O1Wii0.862.242.909 (3)134
N4—H4A···Cl4iii0.862.513.213 (2)140
N4—H4A···Cl4iv0.862.773.418 (3)133
O1—H11···Cl2v0.792.463.2316 (19)165
O1—H12···O1Wvi0.782.012.784 (2)167
O2W—H12W···Cl3iii0.852.383.222 (2)169
O3W—H13W···Cl2vii0.852.513.293 (2)153
O2—H21···Cl3viii0.852.323.1537 (17)166
O1W—H21W···Cl10.852.313.1538 (19)173
O2—H22···Cl40.852.273.1023 (17)168
O2W—H22W···Cl20.852.373.213 (2)172
O3W—H23W···Cl2v0.852.343.193 (2)176
O3—H31···Cl4viii0.842.343.1471 (17)160
O3—H32···Cl1vi0.842.363.1413 (16)157
O4—H41···Cl3viii0.842.313.1459 (17)173
O4—H42···O2W0.851.952.791 (3)178
O5—H51···Cl10.842.383.1707 (19)158
O5—H52···Cl20.852.433.241 (2)160
O6—H61···Cl40.842.353.1708 (17)164
O6—H62···Cl10.852.323.1250 (16)158
O7—H71···Cl5v0.842.463.1402 (17)139
O7—H72···Cl10.842.413.2287 (18)162
O8—H81···O3W0.851.942.786 (3)172
O8—H82···Cl30.842.483.2711 (19)156
C11—H11A···Cl3iii0.932.803.612 (3)147
C14—H14B···Cl10.962.753.639 (4)154
Table 1

Hydrogen-bond geometry (Å, °)

D—H⋯A D—HH⋯A D⋯A D—H⋯A
N2—H2A⋯Cl5i 0.862.713.314 (3)129
N2—H2A⋯O1W ii 0.862.242.909 (3)134
N4—H4A⋯Cl4iii 0.862.513.213 (2)140
N4—H4A⋯Cl4iv 0.862.773.418 (3)133
O1—H11⋯Cl2v 0.792.463.2316 (19)165
O1—H12⋯O1W vi 0.782.012.784 (2)167
O2W—H12W⋯Cl3iii 0.852.383.222 (2)169
O3W—H13W⋯Cl2vii 0.852.513.293 (2)153
O2—H21⋯Cl3viii 0.852.323.1537 (17)166
O1W—H21W⋯Cl10.852.313.1538 (19)173
O2—H22⋯Cl40.852.273.1023 (17)168
O2W—H22W⋯Cl20.852.373.213 (2)172
O3W—H23W⋯Cl2v 0.852.343.193 (2)176
O3—H31⋯Cl4viii 0.842.343.1471 (17)160
O3—H32⋯Cl1vi 0.842.363.1413 (16)157
O4—H41⋯Cl3viii 0.842.313.1459 (17)173
O4—H42⋯O2W 0.851.952.791 (3)178
O5—H51⋯Cl10.842.383.1707 (19)158
O5—H52⋯Cl20.852.433.241 (2)160
O6—H61⋯Cl40.842.353.1708 (17)164
O6—H62⋯Cl10.852.323.1250 (16)158
O7—H71⋯Cl5v 0.842.463.1402 (17)139
O7—H72⋯Cl10.842.413.2287 (18)162
O8—H81⋯O3W 0.851.942.786 (3)172
O8—H82⋯Cl30.842.483.2711 (19)156
C11—H11A⋯Cl3iii 0.932.803.612 (3)147
C14—H14B⋯Cl10.962.753.639 (4)154

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

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