catena-Poly[diammonium [diaqua-bis(pyridine-2,4-dicarboxyl-ato-κN,O)cuprate(II)] [[diaqua-copper(II)]-μ-pyridine-2,4-dicarboxyl-ato-κN,O:O-[tetra-aqua-cadmium(II)]-μ-pyridine-2,4-dicarboxyl-ato-κO:N,O] hexa-hydrate].

The title mixed-metal complex, {(NH(4))(2)[Cu(C(7)H(3)NO(4))(2)(H(2)O)(2)][CdCu(C(7)H(3)NO(4))(2)(H(2)O)(6)]·6H(2)O}(n), contains one octa-hedrally coordinated Cd(II) center and two octa-hedrally coordinated Cu(II) centers, each lying on an inversion center. The two Cu(II) atoms are each coordinated by two O atoms and two N atoms from two 2,4-pydc (2,4-H(2)pydc = pyridine-2,4-dicarboxylic acid) ligands in the equatorial plane and two water mol-ecules at the axial sites, thus producing two crystallographically independent [Cu(2,4-pydc)(2)(H(2)O)(2)](2-) metalloligands. One metalloligand exists as a discrete anion and the other connects the Cd(H(2)O)(4) units, forming a neutral chain. O-H⋯O and N-H⋯O hydrogen bonds connects the polymeric chains, complex anions, ammonium cations and uncoordinated water mol-ecules into a three-dimensional supra-molecular network.

Related literature

For general background to coordination polymers, see: Caneschi et al. (2001 ▶); Dong et al. (2000 ▶); Evans & Lin (2002 ▶); Kitagawa et al. (1999 ▶, 2004 ▶, 2006 ▶). For related structures, see: Li et al. (2008 ▶); Noro et al. (2002a ▶,b ▶); Wang et al. (2009 ▶).

Experimental

Crystal data

(NH4)2[Cu(C7H3NO4)2(H2O)2][CdCu(C7H3NO4)2(H2O)6]·6H2O

M = 1188.20

Triclinic,

a = 10.4520 (19) Å

b = 10.5252 (19) Å

c = 10.6733 (19) Å

α = 102.869 (2)°

β = 103.536 (2)°

γ = 94.834 (2)°

V = 1101.3 (3) Å3

Z = 1

Mo Kα radiation

μ = 1.54 mm−1

T = 293 K

0.22 × 0.20 × 0.16 mm

Data collection

Bruker SMART APEX CCD diffractometer

Absorption correction: multi-scan (SADABS; Sheldrick, 1996 ▶) T min = 0.720, T max = 0.785

6205 measured reflections

4212 independent reflections

3869 reflections with I > 2σ(I)

R int = 0.011

Refinement

R[F 2 > 2σ(F 2)] = 0.026

wR(F 2) = 0.073

S = 1.05

4212 reflections

361 parameters

31 restraints

H atoms treated by a mixture of independent and constrained refinement

Δρmax = 0.67 e Å−3

Δρmin = −0.41 e Å−3

Data collection: SMART (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 I, global. DOI: 10.1107/S1600536809046911/bg2303sup1.cif

Structure factors: contains datablocks I. DOI: 10.1107/S1600536809046911/bg2303Isup2.hkl

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

(NH4)2[Cu(C7H3NO4)2(H2O)2][CdCu(C7H3NO4)2(H2O)6]·6H2O	Z = 1
Mr = 1188.20	F(000) = 604
Triclinic, P1	Dx = 1.792 Mg m−3
Hall symbol: -P 1	Mo Kα radiation, λ = 0.71073 Å
a = 10.4520 (19) Å	Cell parameters from 4140 reflections
b = 10.5252 (19) Å	θ = 2.5–26.1°
c = 10.6733 (19) Å	µ = 1.54 mm−1
α = 102.869 (2)°	T = 293 K
β = 103.536 (2)°	Block, blue
γ = 94.834 (2)°	0.22 × 0.20 × 0.16 mm
V = 1101.3 (3) Å3

Bruker SMART APEX CCD diffractometer	4212 independent reflections
Radiation source: fine-focus sealed tube	3869 reflections with I > 2σ(I)
graphite	Rint = 0.011
φ and ω scans	θmax = 26.1°, θmin = 2.0°
Absorption correction: multi-scan (SADABS; Sheldrick, 1996)	h = −12→8
Tmin = 0.720, Tmax = 0.785	k = −12→12
6205 measured reflections	l = −11→13

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)] = 0.026	Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.073	H atoms treated by a mixture of independent and constrained refinement
S = 1.05	w = 1/[σ2(Fo2) + (0.0412P)2 + 0.7186P] where P = (Fo2 + 2Fc2)/3
4212 reflections	(Δ/σ)max = 0.004
361 parameters	Δρmax = 0.67 e Å−3
31 restraints	Δρmin = −0.41 e Å−3

	x	y	z	Uiso*/Ueq
Cd1	0.0000	0.0000	0.5000	0.02604 (8)
Cu1	0.5000	0.0000	0.5000	0.02460 (10)
Cu2	0.5000	0.5000	1.0000	0.03268 (11)
N1	0.44406 (17)	0.04440 (17)	0.32615 (17)	0.0221 (4)
N2	0.60608 (19)	0.56353 (19)	0.88835 (18)	0.0282 (4)
O1	0.30942 (15)	−0.02363 (16)	0.48585 (15)	0.0281 (3)
O2	0.11497 (15)	−0.03483 (18)	0.34073 (16)	0.0342 (4)
O3	0.1713 (2)	−0.0467 (2)	−0.13119 (19)	0.0591 (6)
O4	0.30140 (19)	0.1332 (2)	−0.12763 (17)	0.0439 (5)
O5	0.35050 (16)	0.49779 (19)	0.84955 (17)	0.0369 (4)
O6	0.30210 (18)	0.5639 (2)	0.6633 (2)	0.0490 (5)
O7	0.71230 (17)	0.72200 (19)	0.51106 (18)	0.0391 (4)
O8	0.89977 (16)	0.65182 (18)	0.59992 (18)	0.0366 (4)
C1	0.2382 (2)	−0.0169 (2)	0.3746 (2)	0.0239 (4)
C2	0.3115 (2)	0.0180 (2)	0.2780 (2)	0.0227 (4)
C3	0.2475 (2)	0.0220 (2)	0.1505 (2)	0.0269 (5)
H3	0.1557	0.0001	0.1186	0.032*
C4	0.3247 (2)	0.0598 (2)	0.0707 (2)	0.0267 (5)
C5	0.2599 (2)	0.0495 (3)	−0.0752 (2)	0.0327 (5)
C6	0.4603 (2)	0.0970 (2)	0.1247 (2)	0.0262 (5)
H6	0.5124	0.1301	0.0763	0.031*
C7	0.5176 (2)	0.0845 (2)	0.2518 (2)	0.0255 (4)
H7	0.6094	0.1046	0.2858	0.031*
C8	0.7820 (2)	0.6710 (2)	0.5938 (2)	0.0280 (5)
C9	0.7192 (2)	0.6332 (2)	0.6975 (2)	0.0270 (5)
C10	0.7977 (2)	0.6251 (3)	0.8193 (2)	0.0337 (5)
H10	0.8898	0.6421	0.8379	0.040*
C11	0.7380 (2)	0.5914 (3)	0.9128 (2)	0.0340 (5)
H11	0.7913	0.5882	0.9948	0.041*
C12	0.5292 (2)	0.5726 (2)	0.7720 (2)	0.0261 (5)
C13	0.5820 (2)	0.6079 (2)	0.6751 (2)	0.0258 (4)
H13	0.5262	0.6147	0.5958	0.031*
C14	0.3820 (2)	0.5433 (2)	0.7580 (2)	0.0305 (5)
O1W	0.14804 (16)	0.17674 (17)	0.64065 (16)	0.0324 (4)
H1A	0.202 (2)	0.205 (3)	0.590 (2)	0.039*
H1B	0.201 (2)	0.159 (3)	0.7184 (16)	0.039*
O2W	0.08911 (16)	−0.15033 (17)	0.60774 (17)	0.0323 (4)
H2A	0.121 (2)	−0.102 (2)	0.6985 (13)	0.039*
H2B	0.023 (2)	−0.2214 (18)	0.603 (2)	0.039*
O3W	0.46396 (19)	−0.24026 (19)	0.37308 (18)	0.0397 (4)
H3A	0.3913 (16)	−0.275 (3)	0.399 (3)	0.048*
H3B	0.5449 (13)	−0.261 (3)	0.419 (3)	0.048*
O4W	0.4544 (2)	0.7280 (2)	1.10086 (19)	0.0445 (4)
H4A	0.447 (3)	0.731 (3)	1.1887 (15)	0.053*
H4B	0.5379 (17)	0.775 (3)	1.106 (3)	0.053*
O5W	0.1659 (2)	−0.2927 (2)	−0.0551 (2)	0.0585 (6)
H5A	0.2575 (14)	−0.294 (3)	−0.016 (3)	0.070*
H5B	0.158 (3)	−0.213 (2)	−0.084 (3)	0.070*
O6W	0.2430 (2)	0.6784 (2)	0.4538 (2)	0.0459 (5)
H6A	0.260 (3)	0.632 (2)	0.522 (2)	0.055*
H6B	0.210 (3)	0.7573 (18)	0.488 (3)	0.055*
O7W	0.0227 (3)	−0.2976 (3)	0.1422 (3)	0.0668 (7)
H7A	0.033 (3)	−0.2138 (19)	0.202 (3)	0.080*
H7B	0.083 (3)	−0.297 (3)	0.088 (3)	0.080*
N3	1.0503 (2)	0.4588 (2)	0.6944 (3)	0.0482 (6)
H31	1.020 (2)	0.406 (2)	0.749 (2)	0.058*
H32	0.9847 (18)	0.5165 (19)	0.666 (2)	0.058*
H33	1.1357 (14)	0.5156 (19)	0.745 (2)	0.058*
H34	1.065 (2)	0.4011 (19)	0.6132 (15)	0.058*

	U11	U22	U33	U12	U13	U23
Cd1	0.02452 (13)	0.03503 (14)	0.02213 (13)	0.00417 (9)	0.00922 (9)	0.01115 (9)
Cu1	0.02026 (19)	0.0393 (2)	0.01908 (19)	0.00659 (15)	0.00640 (15)	0.01509 (16)
Cu2	0.0253 (2)	0.0519 (3)	0.0262 (2)	−0.00001 (18)	0.00792 (17)	0.02147 (19)
N1	0.0217 (9)	0.0281 (9)	0.0180 (8)	0.0046 (7)	0.0060 (7)	0.0077 (7)
N2	0.0284 (10)	0.0354 (10)	0.0239 (9)	0.0021 (8)	0.0081 (8)	0.0132 (8)
O1	0.0248 (8)	0.0418 (9)	0.0230 (8)	0.0056 (7)	0.0091 (6)	0.0158 (7)
O2	0.0214 (8)	0.0579 (11)	0.0241 (8)	0.0019 (7)	0.0082 (7)	0.0113 (8)
O3	0.0686 (15)	0.0667 (14)	0.0275 (10)	−0.0263 (12)	−0.0090 (10)	0.0183 (9)
O4	0.0468 (11)	0.0582 (12)	0.0280 (9)	−0.0027 (9)	0.0038 (8)	0.0235 (9)
O5	0.0264 (9)	0.0565 (11)	0.0323 (9)	−0.0003 (8)	0.0089 (7)	0.0214 (8)
O6	0.0295 (9)	0.0816 (15)	0.0422 (11)	0.0023 (9)	0.0037 (8)	0.0367 (11)
O7	0.0360 (9)	0.0528 (11)	0.0423 (10)	0.0131 (8)	0.0178 (8)	0.0298 (9)
O8	0.0295 (9)	0.0450 (10)	0.0460 (10)	0.0076 (7)	0.0177 (8)	0.0241 (8)
C1	0.0238 (11)	0.0291 (11)	0.0201 (10)	0.0040 (8)	0.0076 (8)	0.0068 (8)
C2	0.0219 (10)	0.0292 (11)	0.0199 (10)	0.0055 (8)	0.0077 (8)	0.0087 (8)
C3	0.0220 (11)	0.0375 (12)	0.0216 (11)	0.0040 (9)	0.0047 (9)	0.0096 (9)
C4	0.0305 (12)	0.0319 (12)	0.0191 (10)	0.0054 (9)	0.0063 (9)	0.0089 (9)
C5	0.0345 (13)	0.0440 (14)	0.0214 (11)	0.0053 (11)	0.0069 (10)	0.0124 (10)
C6	0.0290 (11)	0.0314 (11)	0.0213 (10)	0.0021 (9)	0.0110 (9)	0.0092 (9)
C7	0.0231 (11)	0.0322 (12)	0.0236 (11)	0.0030 (9)	0.0088 (9)	0.0095 (9)
C8	0.0308 (12)	0.0278 (11)	0.0310 (12)	0.0035 (9)	0.0139 (10)	0.0129 (9)
C9	0.0305 (12)	0.0263 (11)	0.0285 (11)	0.0041 (9)	0.0127 (9)	0.0104 (9)
C10	0.0257 (12)	0.0453 (14)	0.0328 (12)	0.0026 (10)	0.0090 (10)	0.0149 (11)
C11	0.0263 (12)	0.0498 (15)	0.0291 (12)	0.0031 (10)	0.0058 (10)	0.0190 (11)
C12	0.0277 (11)	0.0267 (11)	0.0263 (11)	0.0037 (9)	0.0092 (9)	0.0091 (9)
C13	0.0280 (11)	0.0299 (11)	0.0223 (10)	0.0035 (9)	0.0085 (9)	0.0104 (9)
C14	0.0280 (12)	0.0377 (13)	0.0274 (12)	0.0017 (10)	0.0076 (10)	0.0123 (10)
O1W	0.0271 (8)	0.0448 (10)	0.0260 (8)	−0.0001 (7)	0.0065 (7)	0.0126 (7)
O2W	0.0289 (9)	0.0393 (9)	0.0310 (9)	0.0019 (7)	0.0074 (7)	0.0150 (7)
O3W	0.0398 (10)	0.0460 (11)	0.0390 (10)	0.0101 (8)	0.0139 (8)	0.0168 (8)
O4W	0.0488 (12)	0.0475 (11)	0.0367 (10)	−0.0018 (9)	0.0118 (9)	0.0120 (9)
O5W	0.0555 (13)	0.0568 (13)	0.0681 (15)	0.0083 (11)	0.0205 (12)	0.0208 (11)
O6W	0.0532 (12)	0.0450 (11)	0.0466 (11)	0.0098 (9)	0.0174 (9)	0.0205 (9)
O7W	0.0744 (17)	0.0650 (15)	0.0564 (15)	−0.0103 (13)	0.0218 (13)	0.0085 (12)
N3	0.0302 (12)	0.0545 (15)	0.0682 (17)	0.0102 (10)	0.0157 (11)	0.0277 (13)

Cd1—O2	2.2850 (16)	C3—H3	0.9300
Cd1—O2i	2.2850 (16)	C4—C6	1.384 (3)
Cd1—O1W	2.3004 (17)	C4—C5	1.521 (3)
Cd1—O2Wi	2.2915 (17)	C6—C7	1.389 (3)
Cd1—O2W	2.2915 (17)	C6—H6	0.9300
Cd1—O1Wi	2.3004 (17)	C7—H7	0.9300
Cu1—O1ii	1.9523 (15)	C8—C9	1.519 (3)
Cu1—O1	1.9523 (15)	C9—C13	1.390 (3)
Cu1—N1	1.9819 (17)	C9—C10	1.389 (3)
Cu1—N1ii	1.9819 (17)	C10—C11	1.386 (3)
Cu1—O3Wii	2.539 (2)	C10—H10	0.9300
Cu1—O3W	2.539 (2)	C11—H11	0.9300
Cu2—O5	1.9553 (17)	C12—C13	1.385 (3)
Cu2—O5iii	1.9553 (17)	C12—C14	1.509 (3)
Cu2—N2	1.9862 (18)	C13—H13	0.9300
Cu2—N2iii	1.9862 (18)	O1W—H1A	0.94 (2)
Cu2—O4Wiii	2.535 (2)	O1W—H1B	0.95 (2)
Cu2—O4W	2.535 (2)	O2W—H2A	0.95 (1)
N1—C7	1.334 (3)	O2W—H2B	0.95 (1)
N1—C2	1.342 (3)	O3W—H3A	0.94 (1)
N2—C11	1.336 (3)	O3W—H3B	0.94 (1)
N2—C12	1.340 (3)	O4W—H4A	0.95 (1)
O1—C1	1.266 (3)	O4W—H4B	0.95 (1)
O2—C1	1.239 (3)	O5W—H5A	0.95 (1)
O3—C5	1.246 (3)	O5W—H5B	0.96 (1)
O4—C5	1.244 (3)	O6W—H6A	0.95 (1)
O5—C14	1.275 (3)	O6W—H6B	0.96 (3)
O6—C14	1.224 (3)	O7W—H7A	0.95 (3)
O7—C8	1.255 (3)	O7W—H7B	0.95 (3)
O8—C8	1.253 (3)	N3—H31	0.98 (2)
C1—C2	1.509 (3)	N3—H32	0.99 (2)
C2—C3	1.379 (3)	N3—H33	0.99 (1)
C3—C4	1.397 (3)	N3—H34	0.99 (2)
O2—Cd1—O2i	180.00 (6)	N1—C2—C3	122.80 (19)
O2—Cd1—O2Wi	84.25 (6)	N1—C2—C1	114.40 (18)
O2i—Cd1—O2Wi	95.75 (6)	C3—C2—C1	122.80 (19)
O2—Cd1—O2W	95.75 (6)	C2—C3—C4	118.1 (2)
O2i—Cd1—O2W	84.25 (6)	C2—C3—H3	121.0
O2Wi—Cd1—O2W	180.0	C4—C3—H3	121.0
O2—Cd1—O1W	95.40 (6)	C6—C4—C3	118.78 (19)
O2i—Cd1—O1W	84.60 (6)	C6—C4—C5	121.7 (2)
O2Wi—Cd1—O1W	85.58 (6)	C3—C4—C5	119.4 (2)
O2W—Cd1—O1W	94.42 (6)	O4—C5—O3	126.5 (2)
O2—Cd1—O1Wi	84.60 (6)	O4—C5—C4	118.3 (2)
O2i—Cd1—O1Wi	95.40 (6)	O3—C5—C4	115.1 (2)
O2Wi—Cd1—O1Wi	94.43 (6)	C4—C6—C7	119.3 (2)
O2W—Cd1—O1Wi	85.57 (6)	C4—C6—H6	120.3
O1W—Cd1—O1Wi	179.999 (1)	C7—C6—H6	120.3
O1ii—Cu1—O1	180.0	N1—C7—C6	121.5 (2)
O1ii—Cu1—N1	96.26 (7)	N1—C7—H7	119.2
O1—Cu1—N1	83.74 (7)	C6—C7—H7	119.2
O1ii—Cu1—N1ii	83.74 (7)	O8—C8—O7	125.5 (2)
O1—Cu1—N1ii	96.26 (7)	O8—C8—C9	117.5 (2)
N1—Cu1—N1ii	180.0	O7—C8—C9	117.0 (2)
O1ii—Cu1—O3Wii	85.99 (6)	C13—C9—C10	117.8 (2)
O1—Cu1—O3Wii	94.01 (6)	C13—C9—C8	121.3 (2)
N1—Cu1—O3Wii	92.15 (7)	C10—C9—C8	120.8 (2)
N1ii—Cu1—O3Wii	87.85 (7)	C11—C10—C9	119.8 (2)
O1ii—Cu1—O3W	94.01 (6)	C11—C10—H10	120.1
O1—Cu1—O3W	85.99 (6)	C9—C10—H10	120.1
N1—Cu1—O3W	87.85 (7)	N2—C11—C10	121.8 (2)
N1ii—Cu1—O3W	92.15 (7)	N2—C11—H11	119.1
O3Wii—Cu1—O3W	180.00 (4)	C10—C11—H11	119.1
O5—Cu2—O5iii	180.0	N2—C12—C13	122.2 (2)
O5—Cu2—N2	83.06 (7)	N2—C12—C14	114.18 (19)
O5iii—Cu2—N2	96.94 (7)	C13—C12—C14	123.7 (2)
O5—Cu2—N2iii	96.95 (7)	C12—C13—C9	119.4 (2)
O5iii—Cu2—N2iii	83.05 (7)	C12—C13—H13	120.3
N2—Cu2—N2iii	179.998 (1)	C9—C13—H13	120.3
O5—Cu2—O4Wiii	94.09 (7)	O6—C14—O5	124.6 (2)
O5iii—Cu2—O4Wiii	85.91 (7)	O6—C14—C12	119.9 (2)
N2—Cu2—O4Wiii	86.13 (7)	O5—C14—C12	115.49 (19)
N2iii—Cu2—O4Wiii	93.87 (7)	Cd1—O1W—H1A	106.3 (16)
O5—Cu2—O4W	85.91 (7)	Cd1—O1W—H1B	114.8 (16)
O5iii—Cu2—O4W	94.09 (7)	H1A—O1W—H1B	110 (1)
N2—Cu2—O4W	93.87 (7)	Cd1—O2W—H2A	104.0 (16)
N2iii—Cu2—O4W	86.13 (7)	Cd1—O2W—H2B	112.0 (16)
O4Wiii—Cu2—O4W	180.0	H2A—O2W—H2B	108 (1)
C7—N1—C2	119.16 (18)	H3A—O3W—H3B	112 (1)
C7—N1—Cu1	129.85 (15)	H4A—O4W—H4B	109 (3)
C2—N1—Cu1	110.76 (13)	H5A—O5W—H5B	108 (3)
C11—N2—C12	119.09 (19)	H6A—O6W—H6B	108 (1)
C11—N2—Cu2	128.85 (15)	H7A—O7W—H7B	110 (3)
C12—N2—Cu2	112.00 (15)	H31—N3—H32	112 (1)
C1—O1—Cu1	113.79 (13)	H31—N3—H33	110 (1)
C1—O2—Cd1	119.57 (14)	H32—N3—H33	108 (1)
C14—O5—Cu2	114.67 (15)	H31—N3—H34	111 (1)
O2—C1—O1	125.21 (19)	H32—N3—H34	108 (1)
O2—C1—C2	118.48 (18)	H33—N3—H34	108 (1)
O1—C1—C2	116.30 (18)

D—H···A	D—H	H···A	D···A	D—H···A
O1W—H1A···O7iv	0.94 (2)	1.80 (1)	2.739 (2)	171 (2)
O1W—H1B···O4v	0.95 (2)	1.82 (1)	2.769 (2)	177 (3)
O2W—H2A···O3v	0.95 (1)	1.72 (1)	2.657 (3)	168 (2)
O2W—H2B···O8vi	0.95 (1)	1.77 (1)	2.722 (2)	177 (2)
O3W—H3A···O6Wvii	0.94 (1)	1.84 (1)	2.781 (3)	172 (3)
O3W—H3B···O7vii	0.94 (1)	1.84 (1)	2.776 (3)	172 (3)
O4W—H4A···O3Wviii	0.95 (1)	1.89 (1)	2.827 (3)	169 (2)
O4W—H4B···O4iv	0.95 (1)	1.80 (1)	2.752 (3)	176 (2)
O5W—H5A···O4Wix	0.95 (1)	2.10 (1)	3.048 (3)	170 (3)
O5W—H5B···O3	0.96 (1)	1.93 (1)	2.882 (3)	171 (3)
O6W—H6A···O6	0.95 (1)	1.79 (1)	2.742 (3)	173 (3)
O6W—H6B···O2Wx	0.96 (3)	2.14 (2)	2.991 (3)	147 (2)
O7W—H7A···O2	0.95 (3)	2.09 (3)	3.009 (3)	163 (3)
O7W—H7B···O5W	0.95 (3)	1.93 (3)	2.861 (3)	165 (4)
N3—H31···O7Wii	0.98 (2)	1.90 (2)	2.867 (3)	174 (2)
N3—H32···O8	0.99 (2)	1.92 (1)	2.886 (3)	164 (2)
N3—H33···O5Wxi	0.99 (1)	2.53 (2)	3.208 (4)	126 (2)
N3—H33···O5xii	0.99 (1)	2.30 (2)	3.131 (3)	140 (2)
N3—H33···O6xii	0.99 (1)	2.19 (2)	2.888 (3)	126 (2)
N3—H34···O8xiii	0.99 (2)	2.34 (1)	3.277 (3)	157 (2)

Table 1

Hydrogen-bond geometry (Å, °)

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
O1W—H1A⋯O7i	0.94 (2)	1.80 (1)	2.739 (2)	171 (2)
O1W—H1B⋯O4ii	0.95 (2)	1.82 (1)	2.769 (2)	177 (3)
O2W—H2A⋯O3ii	0.95 (1)	1.72 (1)	2.657 (3)	168 (2)
O2W—H2B⋯O8iii	0.95 (1)	1.77 (1)	2.722 (2)	177 (2)
O3W—H3A⋯O6W iv	0.94 (1)	1.84 (1)	2.781 (3)	172 (3)
O3W—H3B⋯O7iv	0.94 (1)	1.84 (1)	2.776 (3)	172 (3)
O4W—H4A⋯O3W v	0.95 (1)	1.89 (1)	2.827 (3)	169 (2)
O4W—H4B⋯O4i	0.95 (1)	1.80 (1)	2.752 (3)	176 (2)
O5W—H5A⋯O4W vi	0.95 (1)	2.10 (1)	3.048 (3)	170 (3)
O5W—H5B⋯O3	0.96 (1)	1.93 (1)	2.882 (3)	171 (3)
O6W—H6A⋯O6	0.95 (1)	1.79 (1)	2.742 (3)	173 (3)
O6W—H6B⋯O2W vii	0.96 (3)	2.14 (2)	2.991 (3)	147 (2)
O7W—H7A⋯O2	0.95 (3)	2.09 (3)	3.009 (3)	163 (3)
O7W—H7B⋯O5W	0.95 (3)	1.93 (3)	2.861 (3)	165 (4)
N3—H31⋯O7W viii	0.98 (2)	1.90 (2)	2.867 (3)	174 (2)
N3—H32⋯O8	0.99 (2)	1.92 (1)	2.886 (3)	164 (2)
N3—H33⋯O5W ix	0.99 (1)	2.53 (2)	3.208 (4)	126 (2)
N3—H33⋯O5x	0.99 (1)	2.30 (2)	3.131 (3)	140 (2)
N3—H33⋯O6x	0.99 (1)	2.19 (2)	2.888 (3)	126 (2)
N3—H34⋯O8xi	0.99 (2)	2.34 (1)	3.277 (3)	157 (2)

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