Poly[di-μ-aqua-bis-(μ-2-amino-4-nitro-benzoato)dicaesium].

In the structure of title compound, [Cs(2)(C(7)H(5)N(2)O(4))(2)(H(2)O)(2)](n), the asymmetric unit contains two independent Cs atoms comprising different coordination polyhedra. One is nine-coordinate, the other seven-coordinate, both having irregular configurations. The CsO(9) coordination polyhedron comprises O-atom donors from three bridging water mol-ecules, one of which is doubly bridging, three from carboxyl-ate groups, and three from nitro groups, of which two are bidentate chelate bridging. The CsO(6)N coordination polyhedron comprises the two bridging water mol-ecules, one amine N-atom donor, one carboxyl-ate O-atom donor and four O-atom donors from nitro groups (two from the chelate bridges). The extension of the dimeric unit gives a three-dimensional polymeric structure, which is stabilized by both intra- and inter-molecular amine N-H⋯O and water O-H⋯O hydrogen bonds to carboxyl-ate O-atom acceptors, as well as inter-ring π-π inter-actions [minimum ring centroid-centroid separation = 3.4172 (15) Å].

Related literature

For the structures of some Cs complexes of aromatic carboxylic acids, see: Wiesbrock & Schmidbaur (2003 ▶); Hu et al. (2005 ▶); Smith & Wermuth (2010 ▶). For Lewis base salts of 4-nitro­anthranilic acid, see: Smith et al. (2002 ▶, 2004 ▶, 2007 ▶).

Experimental

Crystal data

[Cs2(C7H5N2O4)2(H2O)2]

M = 664.12

Monoclinic,

a = 15.3615 (3) Å

b = 6.9573 (2) Å

c = 18.3714 (4) Å

β = 97.903 (2)°

V = 1944.79 (8) Å3

Z = 4

Mo Kα radiation

μ = 3.81 mm−1

T = 200 K

0.40 × 0.30 × 0.10 mm

Data collection

Oxford Diffraction Gemini-S CCD-detector diffractometer

Absorption correction: multi-scan (CrysAlis PRO; Oxford Diffraction, 2010 ▶) T min = 0.411, T max = 0.980

14204 measured reflections

4555 independent reflections

3818 reflections with I > 2σ(I)

R int = 0.026

Refinement

R[F 2 > 2σ(F 2)] = 0.024

wR(F 2) = 0.049

S = 1.02

4555 reflections

303 parameters

H atoms treated by a mixture of independent and constrained refinement

Δρmax = 0.47 e Å−3

Δρmin = −0.90 e Å−3

Data collection: CrysAlis PRO (Oxford Diffraction, 2010 ▶); cell refinement: CrysAlis PRO; data reduction: CrysAlis PRO; program(s) used to solve structure: SIR92 (Altomare et al., 1994 ▶); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008 ▶) within WinGX (Farrugia, 1999 ▶); molecular graphics: PLATON (Spek, 2009 ▶); software used to prepare material for publication: PLATON.

Crystal structure: contains datablock(s) global, I. DOI: 10.1107/S1600536811026614/wm2509sup1.cif

Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536811026614/wm2509Isup2.hkl

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

[Cs2(C7H5N2O4)2(H2O)2]	F(000) = 1264
Mr = 664.12	Dx = 2.268 Mg m−3
Monoclinic, P21/n	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2yn	Cell parameters from 8867 reflections
a = 15.3615 (3) Å	θ = 3.2–28.7°
b = 6.9573 (2) Å	µ = 3.81 mm−1
c = 18.3714 (4) Å	T = 200 K
β = 97.903 (2)°	Plate, red
V = 1944.79 (8) Å3	0.40 × 0.30 × 0.10 mm
Z = 4

Oxford Diffraction Gemini-S CCD-detector diffractometer	4555 independent reflections
Radiation source: Enhance (Mo) X-ray source	3818 reflections with I > 2σ(I)
graphite	Rint = 0.026
Detector resolution: 16.077 pixels mm-1	θmax = 28.8°, θmin = 3.3°
ω scans	h = −20→20
Absorption correction: multi-scan (CrysAlis PRO; Oxford Diffraction, 2010)	k = −8→9
Tmin = 0.411, Tmax = 0.980	l = −23→23
14204 measured reflections

Refinement on F2	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.024	Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.049	H atoms treated by a mixture of independent and constrained refinement
S = 1.02	w = 1/[σ2(Fo2) + (0.0232P)2] where P = (Fo2 + 2Fc2)/3
4555 reflections	(Δ/σ)max = 0.002
303 parameters	Δρmax = 0.47 e Å−3
0 restraints	Δρmin = −0.90 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 e.s.d.'s 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 > 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
Cs1	0.84171 (1)	−0.10346 (2)	0.72068 (1)	0.0226 (1)
Cs2	0.90529 (1)	0.22312 (3)	0.53616 (1)	0.0262 (1)
O1W	0.83714 (17)	0.3457 (3)	0.68930 (14)	0.0301 (8)
O2W	0.8960 (2)	−0.2190 (4)	0.55795 (16)	0.0418 (9)
O11A	0.26335 (13)	0.4294 (3)	0.47800 (11)	0.0320 (7)
O11B	1.01545 (12)	0.4344 (3)	0.26444 (11)	0.0278 (7)
O12A	0.29653 (13)	0.3889 (3)	0.36507 (11)	0.0274 (6)
O12B	0.97730 (13)	0.4711 (3)	0.37664 (11)	0.0308 (7)
O41A	0.71088 (13)	0.0800 (3)	0.53048 (14)	0.0398 (8)
O41B	0.54158 (14)	0.4375 (4)	0.20587 (13)	0.0476 (9)
O42A	0.66924 (15)	0.1204 (3)	0.63677 (13)	0.0404 (8)
O42B	0.58798 (14)	0.4656 (4)	0.10161 (12)	0.0451 (8)
N2A	0.45730 (19)	0.2618 (4)	0.34723 (15)	0.0282 (8)
N2B	0.8077 (2)	0.4733 (4)	0.39156 (14)	0.0308 (9)
N4A	0.65627 (16)	0.1286 (3)	0.56911 (16)	0.0282 (8)
N4B	0.60057 (15)	0.4527 (3)	0.16866 (14)	0.0254 (7)
C1A	0.40690 (16)	0.3164 (4)	0.46641 (14)	0.0161 (8)
C1B	0.86323 (17)	0.4523 (4)	0.27425 (15)	0.0177 (8)
C2A	0.47163 (18)	0.2593 (3)	0.42261 (15)	0.0183 (8)
C2B	0.79362 (17)	0.4629 (4)	0.31685 (15)	0.0195 (8)
C3A	0.55438 (17)	0.2026 (4)	0.45856 (16)	0.0206 (8)
C3B	0.70712 (18)	0.4587 (4)	0.28022 (15)	0.0208 (8)
C4A	0.56969 (17)	0.1972 (4)	0.53363 (16)	0.0208 (8)
C4B	0.69270 (17)	0.4511 (4)	0.20513 (15)	0.0190 (8)
C5A	0.50738 (18)	0.2486 (3)	0.57821 (16)	0.0210 (8)
C5B	0.75952 (18)	0.4438 (4)	0.16125 (15)	0.0216 (8)
C6A	0.42732 (17)	0.3090 (4)	0.54248 (15)	0.0192 (8)
C6B	0.84406 (17)	0.4416 (4)	0.19793 (15)	0.0200 (8)
C11A	0.31553 (17)	0.3831 (4)	0.43413 (15)	0.0190 (8)
C11B	0.95942 (18)	0.4511 (4)	0.30752 (16)	0.0219 (8)
H3B	0.65990	0.46120	0.30690	0.0250*
H5B	0.74790	0.44050	0.11020	0.0260*
H21B	0.764 (2)	0.501 (4)	0.4175 (17)	0.030 (9)*
H3A	0.59870	0.16870	0.43130	0.0250*
H22B	0.857 (2)	0.507 (4)	0.4101 (17)	0.029 (9)*
H5A	0.51900	0.24270	0.62920	0.0250*
H6A	0.38460	0.34700	0.57080	0.0230*
H6B	0.89050	0.43270	0.17050	0.0240*
H11W	0.888 (3)	0.411 (6)	0.699 (2)	0.084 (16)*
H12W	0.797 (3)	0.425 (5)	0.673 (2)	0.048 (14)*
H21A	0.404 (3)	0.271 (5)	0.326 (2)	0.059 (13)*
H21W	0.849 (3)	−0.282 (5)	0.547 (2)	0.037 (13)*
H22A	0.487 (2)	0.182 (5)	0.3227 (18)	0.039 (10)*
H22W	0.932 (3)	−0.289 (6)	0.581 (2)	0.056 (13)*

	U11	U22	U33	U12	U13	U23
Cs1	0.0213 (1)	0.0241 (1)	0.0224 (1)	0.0021 (1)	0.0035 (1)	−0.0006 (1)
Cs2	0.0251 (1)	0.0282 (1)	0.0242 (1)	−0.0013 (1)	−0.0008 (1)	−0.0002 (1)
O1W	0.0246 (13)	0.0298 (12)	0.0338 (14)	−0.0002 (11)	−0.0029 (10)	0.0040 (11)
O2W	0.0317 (15)	0.0376 (14)	0.0520 (18)	−0.0006 (13)	−0.0084 (13)	0.0074 (12)
O11A	0.0207 (10)	0.0497 (13)	0.0255 (12)	0.0087 (10)	0.0024 (9)	−0.0078 (10)
O11B	0.0145 (10)	0.0370 (12)	0.0316 (12)	0.0014 (9)	0.0022 (9)	−0.0027 (9)
O12A	0.0236 (10)	0.0377 (12)	0.0198 (11)	0.0084 (9)	−0.0007 (8)	0.0013 (9)
O12B	0.0235 (11)	0.0430 (12)	0.0241 (11)	0.0009 (10)	−0.0035 (9)	−0.0032 (10)
O41A	0.0172 (11)	0.0420 (14)	0.0602 (17)	0.0041 (10)	0.0050 (11)	−0.0026 (12)
O41B	0.0195 (11)	0.0811 (19)	0.0434 (15)	0.0017 (12)	0.0087 (11)	0.0026 (13)
O42A	0.0311 (12)	0.0438 (13)	0.0408 (15)	0.0044 (10)	−0.0141 (11)	−0.0011 (11)
O42B	0.0272 (12)	0.0750 (17)	0.0295 (13)	−0.0086 (12)	−0.0086 (10)	0.0112 (12)
N2A	0.0280 (15)	0.0360 (15)	0.0216 (14)	0.0063 (12)	0.0074 (12)	−0.0002 (12)
N2B	0.0230 (14)	0.0484 (17)	0.0210 (14)	0.0039 (13)	0.0027 (12)	−0.0008 (12)
N4A	0.0173 (12)	0.0200 (12)	0.0448 (17)	−0.0038 (10)	−0.0050 (12)	−0.0019 (12)
N4B	0.0194 (12)	0.0280 (12)	0.0280 (14)	0.0009 (10)	0.0006 (11)	0.0016 (11)
C1A	0.0161 (13)	0.0131 (12)	0.0187 (14)	0.0014 (10)	0.0009 (10)	−0.0018 (10)
C1B	0.0181 (13)	0.0151 (12)	0.0193 (14)	0.0014 (11)	0.0005 (11)	−0.0011 (11)
C2A	0.0211 (14)	0.0120 (13)	0.0223 (15)	−0.0008 (10)	0.0049 (11)	0.0004 (10)
C2B	0.0216 (14)	0.0184 (12)	0.0184 (14)	0.0012 (11)	0.0024 (11)	0.0004 (11)
C3A	0.0170 (14)	0.0163 (13)	0.0300 (16)	−0.0024 (11)	0.0083 (11)	−0.0021 (12)
C3B	0.0181 (14)	0.0212 (13)	0.0241 (15)	−0.0004 (11)	0.0062 (11)	0.0004 (12)
C4A	0.0151 (13)	0.0136 (12)	0.0320 (17)	−0.0027 (11)	−0.0031 (12)	−0.0004 (12)
C4B	0.0140 (13)	0.0173 (12)	0.0247 (15)	−0.0007 (11)	−0.0011 (11)	0.0009 (11)
C5A	0.0238 (15)	0.0182 (14)	0.0197 (15)	−0.0023 (11)	−0.0017 (12)	0.0002 (11)
C5B	0.0222 (14)	0.0246 (14)	0.0176 (14)	−0.0023 (12)	0.0009 (11)	0.0003 (12)
C6A	0.0181 (13)	0.0193 (13)	0.0211 (15)	0.0008 (11)	0.0056 (11)	−0.0017 (11)
C6B	0.0209 (14)	0.0193 (13)	0.0208 (14)	−0.0004 (11)	0.0061 (11)	−0.0025 (11)
C11A	0.0190 (14)	0.0162 (13)	0.0217 (15)	−0.0002 (11)	0.0025 (11)	−0.0016 (11)
C11B	0.0216 (14)	0.0189 (13)	0.0248 (16)	−0.0016 (11)	0.0021 (12)	−0.0001 (12)

Cs1—O1W	3.177 (2)	N2A—C2A	1.372 (4)
Cs1—O2W	3.311 (3)	N2B—C2B	1.362 (4)
Cs1—O42A	3.271 (2)	N4A—C4A	1.478 (4)
Cs1—O1Wi	3.414 (3)	N4B—C4B	1.480 (4)
Cs1—O42Ai	3.271 (2)	N2A—H21A	0.86 (4)
Cs1—O12Aii	3.165 (2)	N2A—H22A	0.88 (3)
Cs1—O11Biii	3.166 (2)	N2B—H21B	0.90 (3)
Cs1—O12Aiv	3.202 (2)	N2B—H22B	0.82 (3)
Cs1—O41Biv	3.326 (2)	C1A—C2A	1.419 (4)
Cs2—O1W	3.248 (3)	C1A—C6A	1.391 (4)
Cs2—O2W	3.108 (3)	C1A—C11A	1.519 (4)
Cs2—O41A	3.136 (2)	C1B—C2B	1.411 (4)
Cs2—N2B	3.352 (3)	C1B—C6B	1.395 (4)
Cs2—O42Bv	3.114 (2)	C1B—C11B	1.519 (4)
Cs2—O12Bvi	3.090 (2)	C2A—C3A	1.406 (4)
Cs2—O42Biv	3.181 (2)	C2B—C3B	1.405 (4)
O11A—C11A	1.254 (3)	C3A—C4A	1.367 (4)
O11B—C11B	1.252 (3)	C3B—C4B	1.368 (4)
O12A—C11A	1.263 (3)	C4A—C5A	1.389 (4)
O12B—C11B	1.269 (4)	C4B—C5B	1.391 (4)
O41A—N4A	1.219 (3)	C5A—C6A	1.378 (4)
O41B—N4B	1.212 (3)	C5B—C6B	1.379 (4)
O42A—N4A	1.233 (4)	C3A—H3A	0.9300
O42B—N4B	1.224 (3)	C3B—H3B	0.9300
O1W—H11W	0.90 (5)	C5A—H5A	0.9300
O1W—H12W	0.85 (4)	C5B—H5B	0.9300
O2W—H21W	0.85 (4)	C6A—H6A	0.9300
O2W—H22W	0.81 (4)	C6B—H6B	0.9300
O1W—Cs1—O2W	94.42 (7)	Cs2viii—O42B—N4B	111.06 (17)
O1W—Cs1—O42A	56.62 (6)	Cs2ix—O42B—Cs2viii	93.23 (6)
O1W—Cs1—O1Wi	100.99 (6)	Cs1—O1W—H12W	134 (3)
O1W—Cs1—O42Ai	136.12 (6)	Cs2—O1W—H11W	86 (2)
O1W—Cs1—O12Aii	122.03 (6)	Cs2—O1W—H12W	100 (3)
O1W—Cs1—O11Biii	136.78 (6)	H11W—O1W—H12W	108 (4)
O1W—Cs1—O12Aiv	71.93 (6)	Cs1vii—O1W—H11W	126 (3)
O1W—Cs1—O41Biv	68.98 (7)	Cs1vii—O1W—H12W	61 (3)
O2W—Cs1—O42A	88.76 (7)	Cs1—O1W—H11W	118 (3)
O1Wi—Cs1—O2W	137.01 (7)	Cs2—O2W—H21W	122 (3)
O2W—Cs1—O42Ai	128.85 (6)	Cs2—O2W—H22W	128 (3)
O2W—Cs1—O12Aii	68.49 (6)	H21W—O2W—H22W	108 (4)
O2W—Cs1—O11Biii	69.14 (6)	Cs1—O2W—H21W	92 (3)
O2W—Cs1—O12Aiv	166.24 (6)	Cs1—O2W—H22W	85 (3)
O2W—Cs1—O41Biv	70.16 (7)	Cs2—N2B—C2B	139.7 (2)
O1Wi—Cs1—O42A	67.92 (6)	O42A—N4A—C4A	118.1 (2)
O42A—Cs1—O42Ai	121.97 (6)	O41A—N4A—C4A	118.9 (3)
O12Aii—Cs1—O42A	67.64 (5)	O41A—N4A—O42A	123.1 (3)
O11Biii—Cs1—O42A	153.35 (5)	O41B—N4B—C4B	119.1 (2)
O12Aiv—Cs1—O42A	85.11 (5)	O41B—N4B—O42B	123.2 (2)
O41Biv—Cs1—O42A	119.55 (6)	O42B—N4B—C4B	117.7 (2)
O1Wi—Cs1—O42Ai	54.41 (6)	C2A—N2A—H21A	118 (3)
O1Wi—Cs1—O12Aii	69.30 (5)	H21A—N2A—H22A	110 (3)
O1Wi—Cs1—O11Biii	118.49 (5)	C2A—N2A—H22A	119 (2)
O1Wi—Cs1—O12Aiv	50.69 (5)	Cs2—N2B—H21B	88.6 (19)
O1Wi—Cs1—O41Biv	152.73 (6)	C2B—N2B—H21B	121 (2)
O12Aii—Cs1—O42Ai	85.71 (5)	C2B—N2B—H22B	116 (2)
O11Biii—Cs1—O42Ai	67.36 (5)	H21B—N2B—H22B	116 (3)
O12Aiv—Cs1—O42Ai	64.51 (5)	Cs2—N2B—H22B	62 (2)
O41Biv—Cs1—O42Ai	114.78 (6)	C6A—C1A—C11A	118.2 (2)
O11Biii—Cs1—O12Aii	89.79 (5)	C2A—C1A—C6A	118.7 (2)
O12Aii—Cs1—O12Aiv	119.86 (5)	C2A—C1A—C11A	123.1 (2)
O12Aii—Cs1—O41Biv	137.81 (6)	C2B—C1B—C11B	123.1 (2)
O11Biii—Cs1—O12Aiv	119.61 (5)	C6B—C1B—C11B	117.6 (2)
O11Biii—Cs1—O41Biv	67.85 (6)	C2B—C1B—C6B	119.3 (2)
O12Aiv—Cs1—O41Biv	102.33 (6)	N2A—C2A—C1A	122.8 (3)
O1W—Cs2—O2W	97.03 (7)	N2A—C2A—C3A	119.1 (3)
O1W—Cs2—O41A	72.14 (6)	C1A—C2A—C3A	118.1 (2)
O1W—Cs2—N2B	112.82 (6)	N2B—C2B—C1B	122.3 (3)
O1W—Cs2—O42Bv	154.92 (6)	C1B—C2B—C3B	118.2 (2)
O1W—Cs2—O12Bvi	66.73 (6)	N2B—C2B—C3B	119.5 (3)
O1W—Cs2—O42Biv	98.84 (6)	C2A—C3A—C4A	120.0 (3)
O2W—Cs2—O41A	68.26 (7)	C2B—C3B—C4B	119.7 (3)
O2W—Cs2—N2B	126.34 (7)	C3A—C4A—C5A	123.4 (3)
O2W—Cs2—O42Bv	62.78 (7)	N4A—C4A—C3A	118.3 (2)
O2W—Cs2—O12Bvi	130.43 (7)	N4A—C4A—C5A	118.3 (3)
O2W—Cs2—O42Biv	66.20 (7)	C3B—C4B—C5B	123.8 (3)
O41A—Cs2—N2B	79.54 (7)	N4B—C4B—C5B	118.3 (2)
O41A—Cs2—O42Bv	85.88 (6)	N4B—C4B—C3B	117.9 (2)
O12Bvi—Cs2—O41A	136.14 (6)	C4A—C5A—C6A	116.1 (3)
O41A—Cs2—O42Biv	131.93 (6)	C4B—C5B—C6B	116.0 (2)
O42Bv—Cs2—N2B	73.49 (7)	C1A—C6A—C5A	123.6 (3)
O12Bvi—Cs2—N2B	102.64 (6)	C1B—C6B—C5B	123.1 (2)
O42Biv—Cs2—N2B	142.10 (7)	O11A—C11A—O12A	123.9 (3)
O12Bvi—Cs2—O42Bv	137.32 (6)	O11A—C11A—C1A	117.7 (2)
O42Bv—Cs2—O42Biv	86.77 (6)	O12A—C11A—C1A	118.4 (2)
O12Bvi—Cs2—O42Biv	70.52 (6)	O11B—C11B—C1B	117.5 (2)
Cs1—O1W—Cs2	84.10 (5)	O12B—C11B—C1B	117.8 (2)
Cs1—O1W—Cs1vii	90.76 (6)	O11B—C11B—O12B	124.7 (3)
Cs1vii—O1W—Cs2	145.43 (8)	C2A—C3A—H3A	120.00
Cs1—O2W—Cs2	84.13 (7)	C4A—C3A—H3A	120.00
Cs1iii—O11B—C11B	122.77 (17)	C2B—C3B—H3B	120.00
Cs1ii—O12A—C11A	121.78 (17)	C4B—C3B—H3B	120.00
Cs1viii—O12A—C11A	143.20 (18)	C4A—C5A—H5A	122.00
Cs1ii—O12A—Cs1viii	95.00 (5)	C6A—C5A—H5A	122.00
Cs2vi—O12B—C11B	128.65 (17)	C4B—C5B—H5B	122.00
Cs2—O41A—N4A	128.40 (18)	C6B—C5B—H5B	122.00
Cs1viii—O41B—N4B	141.79 (19)	C1A—C6A—H6A	118.00
Cs1—O42A—N4A	120.36 (17)	C5A—C6A—H6A	118.00
Cs1—O42A—Cs1vii	91.71 (6)	C1B—C6B—H6B	118.00
Cs1vii—O42A—N4A	139.56 (16)	C5B—C6B—H6B	118.00
Cs2ix—O42B—N4B	147.4 (2)
O2W—Cs1—O1W—Cs2	−4.20 (7)	O1W—Cs2—N2B—C2B	−161.7 (3)
O2W—Cs1—O1W—Cs1vii	141.55 (7)	O2W—Cs2—N2B—C2B	−43.4 (3)
O42A—Cs1—O1W—Cs2	−89.79 (7)	O41A—Cs2—N2B—C2B	−96.3 (3)
O42A—Cs1—O1W—Cs1vii	55.96 (6)	O42Bv—Cs2—N2B—C2B	−7.5 (3)
O1Wi—Cs1—O1W—Cs2	−143.87 (6)	O12Bvi—Cs2—N2B—C2B	128.5 (3)
O1Wi—Cs1—O1W—Cs1vii	1.88 (7)	O42Biv—Cs2—N2B—C2B	54.0 (4)
O42Ai—Cs1—O1W—Cs2	166.94 (6)	O1W—Cs2—O42Bv—N4Bv	116.9 (3)
O42Ai—Cs1—O1W—Cs1vii	−47.32 (10)	O1W—Cs2—O42Bv—Cs2iii	−104.03 (13)
O12Aii—Cs1—O1W—Cs2	−71.52 (7)	O2W—Cs2—O42Bv—N4Bv	156.1 (3)
O12Aii—Cs1—O1W—Cs1vii	74.23 (7)	O2W—Cs2—O42Bv—Cs2iii	−64.82 (8)
O11Biii—Cs1—O1W—Cs2	59.73 (9)	O41A—Cs2—O42Bv—N4Bv	88.5 (3)
O11Biii—Cs1—O1W—Cs1vii	−154.52 (6)	O41A—Cs2—O42Bv—Cs2iii	−132.46 (7)
O12Aiv—Cs1—O1W—Cs2	174.05 (7)	N2B—Cs2—O42Bv—N4Bv	8.2 (3)
O12Aiv—Cs1—O1W—Cs1vii	−40.21 (5)	N2B—Cs2—O42Bv—Cs2iii	147.25 (8)
O41Biv—Cs1—O1W—Cs2	62.57 (6)	O1W—Cs2—O12Bvi—C11Bvi	33.6 (2)
O41Biv—Cs1—O1W—Cs1vii	−151.68 (7)	O2W—Cs2—O12Bvi—C11Bvi	−45.3 (2)
O1W—Cs1—O2W—Cs2	4.39 (7)	O41A—Cs2—O12Bvi—C11Bvi	55.3 (2)
O42A—Cs1—O2W—Cs2	60.77 (6)	N2B—Cs2—O12Bvi—C11Bvi	143.3 (2)
O1Wi—Cs1—O2W—Cs2	115.69 (8)	O1W—Cs2—O42Biv—Cs2iii	155.41 (6)
O42Ai—Cs1—O2W—Cs2	−167.73 (5)	O1W—Cs2—O42Biv—N4Biv	−2.3 (2)
O12Aii—Cs1—O2W—Cs2	127.16 (8)	O2W—Cs2—O42Biv—Cs2iii	61.58 (7)
O11Biii—Cs1—O2W—Cs2	−134.45 (8)	O2W—Cs2—O42Biv—N4Biv	−96.2 (2)
O41Biv—Cs1—O2W—Cs2	−61.39 (7)	O41A—Cs2—O42Biv—Cs2iii	81.52 (9)
O1W—Cs1—O42A—N4A	94.23 (19)	O41A—Cs2—O42Biv—N4Biv	−76.2 (2)
O1W—Cs1—O42A—Cs1vii	−59.92 (6)	N2B—Cs2—O42Biv—Cs2iii	−57.61 (13)
O2W—Cs1—O42A—N4A	−1.89 (19)	N2B—Cs2—O42Biv—N4Biv	144.65 (17)
O2W—Cs1—O42A—Cs1vii	−156.03 (6)	Cs1iii—O11B—C11B—O12B	57.9 (3)
O1Wi—Cs1—O42A—N4A	−144.9 (2)	Cs1iii—O11B—C11B—C1B	−123.6 (2)
O1Wi—Cs1—O42A—Cs1vii	60.99 (5)	Cs1ii—O12A—C11A—O11A	−68.7 (3)
O42Ai—Cs1—O42A—N4A	−138.46 (18)	Cs1ii—O12A—C11A—C1A	111.4 (2)
O42Ai—Cs1—O42A—Cs1vii	67.40 (7)	Cs1viii—O12A—C11A—O11A	113.3 (3)
O12Aii—Cs1—O42A—N4A	−69.08 (18)	Cs1viii—O12A—C11A—C1A	−66.7 (4)
O12Aii—Cs1—O42A—Cs1vii	136.78 (7)	Cs2vi—O12B—C11B—O11B	55.1 (4)
O11Biii—Cs1—O42A—N4A	−35.0 (3)	Cs2vi—O12B—C11B—C1B	−123.3 (2)
O11Biii—Cs1—O42A—Cs1vii	170.83 (9)	Cs2—O41A—N4A—O42A	−54.8 (3)
O12Aiv—Cs1—O42A—N4A	165.78 (19)	Cs2—O41A—N4A—C4A	126.4 (2)
O12Aiv—Cs1—O42A—Cs1vii	11.64 (5)	Cs1viii—O41B—N4B—O42B	−40.7 (4)
O41Biv—Cs1—O42A—N4A	64.4 (2)	Cs1viii—O41B—N4B—C4B	140.9 (2)
O41Biv—Cs1—O42A—Cs1vii	−89.77 (7)	Cs1—O42A—N4A—O41A	−10.5 (3)
O1W—Cs1—O1Wi—Cs1i	161.87 (6)	Cs1—O42A—N4A—C4A	168.30 (16)
O1W—Cs1—O1Wi—Cs2i	−117.46 (12)	Cs1vii—O42A—N4A—O41A	127.3 (2)
O2W—Cs1—O1Wi—Cs1i	53.01 (11)	Cs1vii—O42A—N4A—C4A	−53.9 (4)
O2W—Cs1—O1Wi—Cs2i	133.68 (12)	Cs2ix—O42B—N4B—O41B	110.6 (3)
O42A—Cs1—O1Wi—Cs1i	115.00 (7)	Cs2ix—O42B—N4B—C4B	−70.9 (4)
O42A—Cs1—O1Wi—Cs2i	−164.33 (14)	Cs2viii—O42B—N4B—O41B	−24.9 (3)
O1W—Cs1—O42Ai—Cs1i	121.80 (8)	Cs2viii—O42B—N4B—C4B	153.57 (17)
O1W—Cs1—O42Ai—N4Ai	−22.7 (3)	Cs2—N2B—C2B—C1B	−58.5 (4)
O2W—Cs1—O42Ai—Cs1i	−69.58 (9)	Cs2—N2B—C2B—C3B	120.3 (3)
O2W—Cs1—O42Ai—N4Ai	145.9 (3)	O41A—N4A—C4A—C3A	0.2 (4)
O42A—Cs1—O42Ai—Cs1i	48.46 (7)	O41A—N4A—C4A—C5A	178.8 (2)
O42A—Cs1—O42Ai—N4Ai	−96.1 (3)	O42A—N4A—C4A—C3A	−178.6 (2)
O1W—Cs1—O12Aii—Cs1i	−131.61 (6)	O42A—N4A—C4A—C5A	−0.1 (4)
O1W—Cs1—O12Aii—C11Aii	47.2 (2)	O41B—N4B—C4B—C3B	−8.7 (4)
O2W—Cs1—O12Aii—Cs1i	146.96 (8)	O41B—N4B—C4B—C5B	171.9 (3)
O2W—Cs1—O12Aii—C11Aii	−34.2 (2)	O42B—N4B—C4B—C3B	172.7 (3)
O42A—Cs1—O12Aii—Cs1i	−115.17 (7)	O42B—N4B—C4B—C5B	−6.7 (4)
O42A—Cs1—O12Aii—C11Aii	63.7 (2)	C6A—C1A—C2A—N2A	180.0 (3)
O1W—Cs1—O11Biii—C11Biii	−43.5 (2)	C6A—C1A—C2A—C3A	−1.6 (4)
O2W—Cs1—O11Biii—C11Biii	30.0 (2)	C11A—C1A—C2A—N2A	0.8 (4)
O42A—Cs1—O11Biii—C11Biii	65.8 (2)	C11A—C1A—C2A—C3A	179.2 (2)
O1W—Cs1—O12Aiv—Cs1vii	44.36 (6)	C2A—C1A—C6A—C5A	−0.1 (4)
O1W—Cs1—O12Aiv—C11Aiv	−134.0 (3)	C11A—C1A—C6A—C5A	179.1 (2)
O42A—Cs1—O12Aiv—Cs1vii	−12.08 (5)	C2A—C1A—C11A—O11A	179.7 (2)
O42A—Cs1—O12Aiv—C11Aiv	169.6 (3)	C2A—C1A—C11A—O12A	−0.4 (4)
O1W—Cs1—O41Biv—N4Biv	−117.3 (3)	C6A—C1A—C11A—O11A	0.5 (4)
O2W—Cs1—O41Biv—N4Biv	−14.2 (3)	C6A—C1A—C11A—O12A	−179.6 (3)
O42A—Cs1—O41Biv—N4Biv	−90.9 (3)	C6B—C1B—C2B—N2B	179.9 (3)
O2W—Cs2—O1W—Cs1	4.49 (7)	C6B—C1B—C2B—C3B	1.1 (4)
O2W—Cs2—O1W—Cs1vii	−78.23 (13)	C11B—C1B—C2B—N2B	0.1 (4)
O41A—Cs2—O1W—Cs1	68.91 (6)	C11B—C1B—C2B—C3B	−178.6 (3)
O41A—Cs2—O1W—Cs1vii	−13.81 (11)	C2B—C1B—C6B—C5B	1.0 (4)
N2B—Cs2—O1W—Cs1	138.88 (6)	C11B—C1B—C6B—C5B	−179.2 (3)
N2B—Cs2—O1W—Cs1vii	56.16 (14)	C2B—C1B—C11B—O11B	177.5 (3)
O42Bv—Cs2—O1W—Cs1	38.99 (17)	C2B—C1B—C11B—O12B	−3.9 (4)
O42Bv—Cs2—O1W—Cs1vii	−43.7 (2)	C6B—C1B—C11B—O11B	−2.2 (4)
O12Bvi—Cs2—O1W—Cs1	−126.67 (7)	C6B—C1B—C11B—O12B	176.3 (3)
O12Bvi—Cs2—O1W—Cs1vii	150.61 (14)	N2A—C2A—C3A—C4A	−179.3 (3)
O42Biv—Cs2—O1W—Cs1	−62.41 (7)	C1A—C2A—C3A—C4A	2.2 (4)
O42Biv—Cs2—O1W—Cs1vii	−145.14 (12)	N2B—C2B—C3B—C4B	179.1 (3)
O1W—Cs2—O2W—Cs1	−4.31 (7)	C1B—C2B—C3B—C4B	−2.2 (4)
O41A—Cs2—O2W—Cs1	−71.86 (7)	C2A—C3A—C4A—N4A	177.3 (2)
N2B—Cs2—O2W—Cs1	−129.46 (7)	C2A—C3A—C4A—C5A	−1.1 (4)
O42Bv—Cs2—O2W—Cs1	−168.65 (9)	C2B—C3B—C4B—N4B	−178.2 (2)
O12Bvi—Cs2—O2W—Cs1	60.98 (10)	C2B—C3B—C4B—C5B	1.2 (4)
O42Biv—Cs2—O2W—Cs1	92.29 (7)	N4A—C4A—C5A—C6A	−179.1 (2)
O1W—Cs2—O41A—N4A	16.2 (2)	C3A—C4A—C5A—C6A	−0.7 (4)
O2W—Cs2—O41A—N4A	121.7 (2)	N4B—C4B—C5B—C6B	−179.7 (2)
N2B—Cs2—O41A—N4A	−102.1 (2)	C3B—C4B—C5B—C6B	1.0 (4)
O42Bv—Cs2—O41A—N4A	−176.1 (2)	C4A—C5A—C6A—C1A	1.3 (4)
O12Bvi—Cs2—O41A—N4A	−4.7 (3)	C4B—C5B—C6B—C1B	−2.1 (4)
O42Biv—Cs2—O41A—N4A	102.0 (2)

D—H···A	D—H	H···A	D···A	D—H···A
N2A—H22A···O11Bv	0.88 (3)	2.35 (3)	3.132 (3)	148 (3)
N2A—H21A···O12A	0.86 (4)	2.06 (4)	2.685 (4)	129 (3)
N2B—H21B···O11Ax	0.90 (3)	2.08 (3)	2.848 (3)	143 (3)
N2B—H22B···O12B	0.82 (3)	2.04 (3)	2.657 (4)	131 (3)
O1W—H11W···O11Bvi	0.90 (5)	1.88 (4)	2.768 (3)	169 (3)
O1W—H12W···O12Ax	0.85 (4)	1.99 (4)	2.839 (3)	180 (5)
O2W—H21W···O11Aii	0.85 (4)	2.01 (4)	2.851 (4)	179 (6)
O2W—H22W···O12Biii	0.81 (4)	1.96 (4)	2.769 (4)	172 (4)
C6A—H6A···O11A	0.93	2.41	2.762 (3)	102
C6B—H6B···O11B	0.93	2.40	2.746 (3)	102

Table 1

Selected bond lengths (Å)

Cs1—O1W	3.177 (2)
Cs1—O2W	3.311 (3)
Cs1—O42A	3.271 (2)
Cs1—O1Wi	3.414 (3)
Cs1—O42Ai	3.271 (2)
Cs1—O12Aii	3.165 (2)
Cs1—O11Biii	3.166 (2)
Cs1—O12Aiv	3.202 (2)
Cs1—O41Biv	3.326 (2)
Cs2—O1W	3.248 (3)
Cs2—O2W	3.108 (3)
Cs2—O41A	3.136 (2)
Cs2—N2B	3.352 (3)
Cs2—O42Bv	3.114 (2)
Cs2—O12Bvi	3.090 (2)
Cs2—O42Biv	3.181 (2)

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

Table 2

Hydrogen-bond geometry (Å, °)

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
N2A—H22A⋯O11Bv	0.88 (3)	2.35 (3)	3.132 (3)	148 (3)
N2A—H21A⋯O12A	0.86 (4)	2.06 (4)	2.685 (4)	129 (3)
N2B—H21B⋯O11Avii	0.90 (3)	2.08 (3)	2.848 (3)	143 (3)
N2B—H22B⋯O12B	0.82 (3)	2.04 (3)	2.657 (4)	131 (3)
O1W—H11W⋯O11Bvi	0.90 (5)	1.88 (4)	2.768 (3)	169 (3)
O1W—H12W⋯O12Avii	0.85 (4)	1.99 (4)	2.839 (3)	180 (5)
O2W—H21W⋯O11Aii	0.85 (4)	2.01 (4)	2.851 (4)	179 (6)
O2W—H22W⋯O12Biii	0.81 (4)	1.96 (4)	2.769 (4)	172 (4)

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