Poly[triaqua­bis(μ-benzene-1,2,4-tricarboxyl­ato)zinc(II)dipotassium(I)]

In the crystal structure of the title metal–organic coordination polymer, [K₂Zn(C₉H₄O₆)₂(H₂O)₃]_n, the Zn^II ion exists in a tetra­hedral coordination environment formed by four monodentate carboxyl­ate O atoms. There are two crystallographically distinct K^I ions. Each is coordinated by one terminal water mol­ecule and four carboxyl­ate O atoms; in addition, these two K^I ions share one bridging water mol­ecule. Thus, both K^I ions present a distorted octa­hedral coordination environment. Two crystallographically independent benzene-1,2,4-tricarboxyl­ate dianions act as three-connected pillars to give a heterometallic three-dimensional layer-pillared network structure.

Key indicators

• Single-crystal X-ray study
• T = 200 K
• Mean [sigma](C-C) = 0.004 Å
• Disorder in main residue
• R factor = 0.032
• wR factor = 0.110
• Data-to-parameter ratio = 11.8

checkCIF/PLATON results

No syntax errors found



Alert level C
PLAT222_ALERT_3_C Large Non-Solvent    H     Ueq(max)/Ueq(min) ...       3.18 Ratio
PLAT301_ALERT_3_C Main Residue  Disorder .........................       3.00 Perc.

Alert level G
PLAT804_ALERT_5_G ARU-Pack Problem in PLATON Analysis ............          4 Times

   0 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
   2 ALERT level C = Check and explain
   1 ALERT level G = General alerts; check

   0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   0 ALERT type 2 Indicator that the structure model may be wrong or deficient
   2 ALERT type 3 Indicator that the structure quality may be low
   0 ALERT type 4 Improvement, methodology, query or suggestion
   1 ALERT type 5 Informative message, check

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S1. Comment

Polycarboxylic acids such as 1,4-benzenedicarboxylic acid and 1,3,5-benzenetricarboxylic acid are recognized as efficient O donors exhibiting versatile coordination modes and hydrogen bonding interaction toward the assembly of metal-organic coordination polymers (Yaghi et al., 2003; Rao et al., 2004). Here we report the synthesis and structure of the title heterometallic coordination polymer, (I), on the basis of a unsymmetrical bridging ligand, benzene-1,2,4-tricarboxylic acid (H₃btc).

The asymmetric unit of (I) (Fig. 1) consists of two partially deprotonated Hbtc^2- ligands, one Zn^II atom, two K⁺ atoms, one bridging water molecule, and two coordinating water molecules with the formula of [K₂Zn(Hbtc)₂(H₂O)₃]_n. Program PLATON/ADDSYM (Spek, 2003) confirms that compound (I) is crystallized in a triclinic crystal system with space group of P-1. For (I), partially deprotonated Hbtc^2- ligands are observed. There are two crystallographically distinct Hbtc^2- ligands. The assignment of the carboxyl hydrogen atoms from the difference Fourier map, and asymmetrical carbon–oxygen bond lengths (C9—O5 and C9—O6; C18—O11 and C18—O12) of the carboxyl groups are revealed from crystallographic results. On the other hand, more symmetrical carbon–oxygen bond distances that range from 1.232 to 1.284 Å are observed for the rest of the carboxylate groups of the Hbtc^2– ligands. The Zn^II exists in a tetrahedral coordination environment that is coordinated by four monodentate carboxylate oxygen atoms with Zn–O distances range from 1.985 to 2.038 Å. A close contacting distance of 2.482 (2) Å is observed between Zn1 and O4 carboxylate oxygen atom. There are two crystallographically distinct K atoms. Each K atom is coordinated by one coordinating water molecules, four carboxylate oxygen atoms, and these two K atoms share one bridging water molecule. Both of the K atoms present a distorted octahedral coordination environment. The ZnO₄ and KO₆ polyhedra are linked by carboxylate and carboxyl groups of Hbtc^2- ligands as well as bridging water molecules to form a two dimensional layer network that lies parallel to the ab crystal plane (Fig. 2). The Hbtc^2- ligands act as three-connected Pillars to give rise to a three-dimensional layer-pillared network structure (Fig. 3).

A solely Zn^II based layer-pillared coordination polymer, [Zn₂(Hbtc)₂(H₂O)₃]_n, which was crystallized in a monoclinic crystal system with higher space group symmetry of C2/c was previously reported (Qin et al., 2004). The distinct coordination environment between main group K atoms and transition metal Zn atoms results in diverse solid state packing of the layer-pillared coordination networks.

Related literature

A solely Zn^II-based layer-pillared coordination polymer, [Zn₂(C₉H₄O₆)₂(H₂O)₃]_n, which crystallized in a monoclinic crystal system with space group symmetry of C2/c was previously reported (Qin et al., 2004).

For related literature, see: Rao et al. (2004); Spek (2003); Yaghi et al. (2003).

S2. Experimental

All reagents and solvents were used as obtained without further purification. ZnCl₂ (1.5 mmol), H₃btc (1.0 mmol) were dissolved in 10 ml of distilled water, and were added drop-wise of 4M KOH solution to the pH of 3.8. The mixture was sealed in a Teflon-lined stainless steel vessel and held at 383 K for 96 h. The vessel was gradually cooled to room temperature, and colorless crystals suitable for crystallographic analysis were obtained after 7 d.

S3. Refinement

The C-bound H atoms were placed in calculated positions (C—H = 0.95 A) and refined in the riding-model approximation with U_iso(H) = 1.2 U_eq(C). The H atoms of the water molecules and carboxyl groups were located in a difference Fourier map, and refined as riding model with O—H distances range from 0.81 to 0.85 Å, and with U_iso(H) = 1.5 U_eq(O). The carboxylate oxygen atom O8 is disordered over two positions; the occupancies of O8A and O8B refined to 0.65 (14) and 0.35 (14), respectively.

Computing details

Data collection: COLLECT (Nonius, 2000); cell refinement: SCALEPACK (Otwinowski & Minor, 1997); data reduction: SCALEPACK and DENZO (Otwinowski & Minor, 1997); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ORTEP-3 for Windows (Farrugia, 1997); software used to prepare material for publication: WinGX (Farrugia, 1999).

Figures

	Fig. 1. The asymmetric unit, expanded to show the complete coordination of the Zn and K atoms, with displacement ellipsoids drawn at the 50% probability level. (Symmetry codes: (i) x - 1, y, z; (ii) x, y - 1, z; (iii) x, y + 1, z; (iv) -x + 1, -y, -z; (v) x + 1, y, z; (vi) -x + 2, -y, -z + 1; (vii) x + 1, y + 1, z)
	Fig. 2. A single polymeric two-dimensional layer within (I), which lies parallel to the ab crystal plane.
	Fig. 3. Packing diagram illustrating the layer-pillared three-dimensional network of (I).

Poly[triaquabis(µ-benzene-1,2,4-tricarboxylato)zinc(II)dipotassium(I)]

Crystal data

[K2Zn(C9H4O6)2(H2O)3]	Z = 2
Mr = 613.86	F(000) = 620
Triclinic, P1	Dx = 1.871 Mg m^−3
Hall symbol: -P 1	Mo Kα radiation, λ = 0.71073 Å
a = 6.9626 (2) Å	Cell parameters from 12853 reflections
b = 7.0317 (2) Å	θ = 2.0–25.4°
c = 22.9019 (5) Å	µ = 1.59 mm^−1
α = 93.372 (1)°	T = 200 K
β = 91.821 (1)°	Block, colorless
γ = 102.932 (2)°	0.24 × 0.16 × 0.14 mm
V = 1089.76 (5) Å^3

Data collection

Nonius KappaCCD diffractometer	3966 independent reflections
Radiation source: fine-focus sealed tube	3510 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.059
CCD rotation images, thick slices scans	θmax = 25.3°, θmin = 2.6°
Absorption correction: multi-scan (Blessing, 1995)	h = −8→8
Tmin = 0.697, Tmax = 0.792	k = −8→8
14633 measured reflections	l = −27→27

Refinement

Refinement on F^2	0 restraints
Least-squares matrix: full	H-atom parameters constrained
R[F^2 > 2σ(F^2)] = 0.032	w = 1/[σ^2(Fo^2) + (0.0676P)^2 + 0.4828P] where P = (Fo^2 + 2Fc^2)/3
wR(F^2) = 0.110	(Δ/σ)max = 0.001
S = 1.10	Δρmax = 0.57 e Å^−3
3966 reflections	Δρmin = −0.82 e Å^−3
335 parameters

Special details

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

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq	Occ. (<1)
Zn1	0.27940 (4)	−0.36692 (4)	0.253459 (12)	0.01718 (13)
K1	0.77901 (9)	0.24823 (10)	0.19488 (3)	0.02317 (17)
K2	1.16808 (11)	0.11542 (10)	0.31443 (3)	0.0338 (2)
O1	0.1876 (3)	−0.2183 (3)	0.18857 (8)	0.0217 (4)
O2	0.4098 (3)	0.0485 (3)	0.22169 (8)	0.0227 (4)
O3	0.1914 (3)	0.3713 (3)	0.20653 (8)	0.0202 (4)
O4	0.4817 (3)	0.5199 (3)	0.17720 (9)	0.0282 (5)
O5	0.2264 (4)	−0.0941 (3)	−0.08408 (9)	0.0329 (5)
O6	0.1906 (3)	−0.3381 (3)	−0.02374 (9)	0.0288 (5)
H6A	0.1826	−0.4072	−0.0553	0.043*
O7	0.5338 (3)	−0.2617 (3)	0.30286 (8)	0.0217 (4)
O8A	0.376 (4)	−0.532 (4)	0.3400 (17)	0.028 (4)	0.65 (14)
O8B	0.418 (9)	−0.565 (7)	0.3281 (18)	0.028 (6)	0.35 (14)
O9	0.8514 (4)	−0.5486 (4)	0.29773 (10)	0.0434 (7)
O10	1.1090 (3)	−0.2940 (3)	0.31484 (9)	0.0306 (5)
O11	1.0028 (3)	−0.1760 (4)	0.59028 (9)	0.0373 (6)
O12	1.2497 (3)	−0.2064 (3)	0.53400 (9)	0.0293 (5)
H12A	1.3154	−0.1794	0.566	0.044*
O19	0.8485 (3)	−0.0771 (3)	0.23775 (10)	0.0344 (5)
H19A	0.746	−0.1471	0.2487	0.052*
H19B	0.9172	−0.1474	0.2248	0.052*
O29	0.8373 (3)	0.5706 (3)	0.12087 (9)	0.0328 (5)
H29A	0.9323	0.6572	0.136	0.049*
H29B	0.7313	0.5771	0.1377	0.049*
O39	1.5575 (4)	0.1191 (4)	0.36191 (11)	0.0464 (7)
H39A	1.596	0.2006	0.3385	0.07*
H39B	1.5545	0.0113	0.3441	0.07*
C1	0.2774 (4)	0.0367 (4)	0.12477 (11)	0.0170 (6)
C2	0.3064 (4)	0.2379 (4)	0.11950 (11)	0.0170 (6)
C3	0.3075 (4)	0.3100 (4)	0.06403 (12)	0.0225 (6)
H3A	0.3281	0.4469	0.0604	0.027*
C4	0.2788 (4)	0.1837 (4)	0.01401 (12)	0.0234 (6)
H4A	0.2795	0.2339	−0.0236	0.028*
C5	0.2490 (4)	−0.0174 (4)	0.01922 (11)	0.0196 (6)
C6	0.2483 (4)	−0.0891 (4)	0.07450 (11)	0.0185 (6)
H6B	0.2277	−0.226	0.078	0.022*
C7	0.2941 (4)	−0.0466 (4)	0.18321 (11)	0.0171 (6)
C8	0.3316 (4)	0.3842 (4)	0.17159 (11)	0.0182 (6)
C9	0.2214 (4)	−0.1521 (5)	−0.03494 (12)	0.0226 (6)
C10	0.6679 (4)	−0.3545 (4)	0.39147 (12)	0.0201 (6)
C11	0.8697 (4)	−0.3471 (4)	0.38576 (11)	0.0180 (6)
C12	0.9984 (4)	−0.2982 (4)	0.43456 (11)	0.0200 (6)
H12B	1.1354	−0.2897	0.4306	0.024*
C13	0.9280 (4)	−0.2618 (4)	0.48920 (12)	0.0198 (6)
C14	0.7285 (4)	−0.2712 (5)	0.49488 (13)	0.0261 (7)
H14A	0.6803	−0.2468	0.5323	0.031*
C15	0.5998 (4)	−0.3157 (5)	0.44640 (12)	0.0258 (7)
H15A	0.4636	−0.32	0.4505	0.031*
C16	0.5225 (4)	−0.3940 (4)	0.33973 (12)	0.0230 (6)
C17	0.9456 (4)	−0.4033 (5)	0.32786 (12)	0.0231 (6)
C18	1.0629 (4)	−0.2102 (4)	0.54277 (12)	0.0223 (6)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Zn1	0.0197 (2)	0.0186 (2)	0.01313 (19)	0.00488 (14)	−0.00094 (13)	−0.00035 (13)
K1	0.0247 (3)	0.0265 (4)	0.0166 (3)	0.0027 (3)	0.0002 (2)	−0.0008 (3)
K2	0.0454 (4)	0.0258 (4)	0.0249 (4)	−0.0029 (3)	0.0128 (3)	−0.0056 (3)
O1	0.0278 (11)	0.0211 (11)	0.0161 (9)	0.0049 (9)	0.0005 (8)	0.0037 (8)
O2	0.0265 (11)	0.0255 (11)	0.0151 (10)	0.0045 (9)	−0.0008 (8)	−0.0001 (8)
O3	0.0225 (10)	0.0214 (11)	0.0169 (9)	0.0055 (8)	0.0049 (8)	−0.0018 (8)
O4	0.0266 (11)	0.0280 (12)	0.0251 (11)	−0.0024 (10)	0.0027 (9)	−0.0062 (9)
O5	0.0528 (14)	0.0319 (13)	0.0132 (10)	0.0081 (11)	0.0021 (9)	0.0003 (9)
O6	0.0440 (13)	0.0226 (12)	0.0179 (10)	0.0049 (10)	0.0014 (9)	−0.0043 (8)
O7	0.0226 (10)	0.0261 (12)	0.0161 (10)	0.0043 (9)	−0.0007 (8)	0.0039 (8)
O8A	0.027 (5)	0.018 (4)	0.036 (7)	0.000 (3)	−0.009 (5)	0.001 (4)
O8B	0.033 (10)	0.022 (8)	0.028 (7)	0.002 (7)	−0.003 (7)	−0.002 (6)
O9	0.0389 (14)	0.0559 (17)	0.0301 (13)	0.0070 (12)	−0.0029 (10)	−0.0245 (12)
O10	0.0401 (13)	0.0324 (13)	0.0203 (11)	0.0089 (10)	0.0122 (9)	0.0018 (9)
O11	0.0357 (13)	0.0602 (17)	0.0169 (11)	0.0150 (12)	0.0005 (9)	−0.0061 (10)
O12	0.0244 (11)	0.0437 (14)	0.0194 (10)	0.0087 (10)	−0.0036 (8)	−0.0042 (9)
O19	0.0293 (12)	0.0308 (13)	0.0452 (14)	0.0084 (10)	0.0108 (10)	0.0099 (11)
O29	0.0361 (13)	0.0312 (13)	0.0266 (11)	0.0004 (10)	0.0056 (9)	−0.0089 (10)
O39	0.0659 (18)	0.0344 (14)	0.0400 (14)	0.0210 (13)	−0.0280 (13)	−0.0098 (11)
C1	0.0155 (13)	0.0198 (15)	0.0160 (13)	0.0043 (11)	0.0023 (10)	0.0011 (11)
C2	0.0148 (13)	0.0207 (15)	0.0156 (13)	0.0040 (11)	0.0023 (10)	0.0005 (11)
C3	0.0290 (16)	0.0197 (16)	0.0199 (14)	0.0073 (13)	0.0022 (12)	0.0031 (12)
C4	0.0298 (16)	0.0277 (17)	0.0142 (13)	0.0091 (13)	0.0011 (11)	0.0049 (12)
C5	0.0194 (14)	0.0229 (16)	0.0149 (13)	0.0024 (12)	0.0008 (11)	−0.0015 (11)
C6	0.0197 (14)	0.0185 (15)	0.0169 (13)	0.0031 (11)	0.0020 (11)	0.0014 (11)
C7	0.0195 (14)	0.0204 (15)	0.0137 (13)	0.0094 (12)	0.0045 (11)	−0.0011 (11)
C8	0.0216 (14)	0.0196 (15)	0.0143 (13)	0.0073 (12)	−0.0012 (11)	0.0006 (11)
C9	0.0224 (15)	0.0277 (17)	0.0172 (14)	0.0047 (13)	0.0017 (11)	−0.0001 (12)
C10	0.0236 (15)	0.0196 (15)	0.0167 (13)	0.0043 (12)	−0.0027 (11)	0.0030 (11)
C11	0.0225 (14)	0.0181 (15)	0.0133 (13)	0.0048 (12)	0.0004 (10)	0.0009 (10)
C12	0.0212 (14)	0.0246 (16)	0.0154 (13)	0.0075 (12)	0.0011 (11)	0.0017 (11)
C13	0.0223 (14)	0.0205 (15)	0.0162 (13)	0.0043 (12)	−0.0001 (11)	0.0008 (11)
C14	0.0258 (16)	0.0369 (19)	0.0163 (14)	0.0082 (14)	0.0057 (12)	−0.0001 (12)
C15	0.0179 (14)	0.0389 (19)	0.0211 (15)	0.0067 (13)	0.0021 (11)	0.0029 (13)
C16	0.0244 (15)	0.0224 (16)	0.0212 (15)	0.0037 (13)	−0.0032 (12)	0.0011 (12)
C17	0.0261 (16)	0.0297 (17)	0.0161 (14)	0.0129 (14)	−0.0016 (12)	−0.0015 (12)
C18	0.0281 (16)	0.0232 (16)	0.0168 (14)	0.0084 (13)	0.0012 (12)	−0.0002 (11)

Geometric parameters (Å, º)

Zn1—O1	2.0322 (19)	O12—H12A	0.8399
Zn1—O3^i	2.0343 (19)	O19—H19A	0.8262
Zn1—O4^i	2.482 (2)	O19—H19B	0.8125
Zn1—O7	2.0379 (19)	O29—H29A	0.8421
Zn1—O10^ii	1.985 (2)	O29—H29B	0.8527
K1—O2	2.746 (2)	O39—H39A	0.8147
K1—O3^iii	2.807 (2)	O39—H39B	0.835
K1—O5^iv	2.696 (2)	C1—C6	1.390 (4)
K1—O9^v	2.655 (2)	C1—C2	1.397 (4)
K1—O19	2.676 (2)	C1—C7	1.504 (4)
K1—O29	2.874 (2)	C2—C3	1.395 (4)
K2—O2^iii	2.833 (2)	C2—C8	1.508 (4)
K2—O8A^vi	2.600 (19)	C3—C4	1.388 (4)
K2—O8B^vi	2.51 (2)	C3—H3A	0.95
K2—O10	2.816 (2)	C4—C5	1.395 (4)
K2—O11^vii	2.577 (2)	C4—H4A	0.95
K2—O19	2.827 (2)	C5—C6	1.390 (4)
K2—O39	2.883 (2)	C5—C9	1.496 (4)
O1—C7	1.283 (3)	C6—H6B	0.95
O2—C7	1.232 (3)	C10—C15	1.392 (4)
O3—C8	1.272 (3)	C10—C11	1.405 (4)
O4—C8	1.245 (3)	C10—C16	1.505 (4)
O5—C9	1.218 (4)	C11—C12	1.387 (4)
O6—C9	1.319 (4)	C11—C17	1.507 (4)
O6—H6A	0.8401	C12—C13	1.389 (4)
O7—C16	1.284 (3)	C12—H12B	0.95
O8A—C16	1.239 (14)	C13—C14	1.386 (4)
O8B—C16	1.27 (3)	C13—C18	1.497 (4)
O9—C17	1.240 (4)	C14—C15	1.380 (4)
O10—C17	1.278 (4)	C14—H14A	0.95
O11—C18	1.208 (4)	C15—H15A	0.95
O12—C18	1.317 (4)
O10^ii—Zn1—O1	97.31 (8)	C1—C2—C8	123.0 (2)
O10^ii—Zn1—O3^i	119.28 (9)	C4—C3—C2	120.7 (3)
O1—Zn1—O3^i	92.78 (8)	C4—C3—H3A	119.7
O10^ii—Zn1—O7	93.83 (9)	C2—C3—H3A	119.7
O1—Zn1—O7	122.86 (8)	C3—C4—C5	119.7 (3)
O3^i—Zn1—O7	128.48 (8)	C3—C4—H4A	120.1
O9^v—K1—O19	93.43 (8)	C5—C4—H4A	120.1
O9^v—K1—O5^iv	168.09 (8)	C6—C5—C4	119.6 (3)
O19—K1—O5^iv	91.36 (7)	C6—C5—C9	121.1 (3)
O9^v—K1—O2	94.31 (7)	C4—C5—C9	119.3 (2)
O19—K1—O2	77.08 (7)	C5—C6—C1	121.0 (3)
O5^iv—K1—O2	97.39 (7)	C5—C6—H6B	119.5
O9^v—K1—O3^iii	74.95 (7)	C1—C6—H6B	119.5
O19—K1—O3^iii	82.82 (6)	O2—C7—O1	124.4 (2)
O5^iv—K1—O3^iii	94.87 (7)	O2—C7—C1	119.4 (3)
O2—K1—O3^iii	156.63 (6)	O1—C7—C1	116.1 (2)
O9^v—K1—O29	98.37 (8)	O4—C8—O3	122.1 (3)
O19—K1—O29	156.20 (7)	O4—C8—C2	119.5 (2)
O5^iv—K1—O29	73.45 (6)	O3—C8—C2	118.3 (2)
O2—K1—O29	122.18 (6)	O5—C9—O6	124.1 (3)
O3^iii—K1—O29	80.42 (6)	O5—C9—C5	122.9 (3)
O11^vii—K2—O8A^vi	83.8 (11)	O6—C9—C5	113.0 (2)
O11^vii—K2—O10	98.29 (7)	C15—C10—C11	119.3 (3)
O8A^vi—K2—O10	152.0 (5)	C15—C10—C16	118.3 (3)
O11^vii—K2—O19	102.72 (7)	C11—C10—C16	122.4 (2)
O8A^vi—K2—O19	138.6 (3)	C12—C11—C10	119.7 (2)
O10—K2—O19	68.50 (7)	C12—C11—C17	119.7 (2)
O11^vii—K2—O2^iii	170.71 (7)	C10—C11—C17	120.5 (2)
O8A^vi—K2—O2^iii	92.8 (12)	C11—C12—C13	120.4 (3)
O10—K2—O2^iii	80.66 (6)	C11—C12—H12B	119.8
O19—K2—O2^iii	85.54 (6)	C13—C12—H12B	119.8
O11^vii—K2—O39	99.85 (7)	C14—C13—C12	119.9 (3)
O8A^vi—K2—O39	67.6 (6)	C14—C13—C18	118.5 (2)
O10—K2—O39	84.58 (7)	C12—C13—C18	121.6 (3)
O19—K2—O39	146.89 (7)	C15—C14—C13	120.2 (3)
O2^iii—K2—O39	70.88 (7)	C15—C14—H14A	119.9
C7—O1—Zn1	115.32 (17)	C13—C14—H14A	119.9
C8—O3—Zn1^v	99.94 (17)	C14—C15—C10	120.5 (3)
C8—O4—Zn1^v	80.11 (16)	C14—C15—H15A	119.7
C9—O6—H6A	109.5	C10—C15—H15A	119.7
C16—O7—Zn1	100.78 (17)	O8A—C16—O7	121.6 (6)
C17—O10—Zn1^iii	124.00 (19)	O8B—C16—O7	121.3 (10)
K1—O19—K2	95.75 (8)	O8A—C16—C10	119.0 (9)
H19A—O19—H19B	108.3	O8B—C16—C10	119.6 (14)
H29A—O29—H29B	110.1	O7—C16—C10	117.9 (3)
H39A—O39—H39B	105.4	O9—C17—O10	125.5 (3)
C6—C1—C2	119.4 (2)	O9—C17—C11	119.6 (3)
C6—C1—C7	118.8 (2)	O10—C17—C11	114.8 (3)
C2—C1—C7	121.6 (2)	O11—C18—O12	123.2 (3)
C3—C2—C1	119.7 (2)	O11—C18—C13	121.9 (3)
C3—C2—C8	117.4 (2)	O12—C18—C13	114.9 (2)

Symmetry codes: (i) x, y−1, z; (ii) x−1, y, z; (iii) x+1, y, z; (iv) −x+1, −y, −z; (v) x, y+1, z; (vi) x+1, y+1, z; (vii) −x+2, −y, −z+1.

Hydrogen-bond geometry (Å, º)

D—H···A	D—H	H···A	D···A	D—H···A
O6—H6A···O29^iv	0.84	1.82	2.657 (3)	176
O12—H12A···O39^viii	0.84	1.83	2.668 (3)	176
O19—H19A···O7	0.83	2.02	2.805 (3)	159
O19—H19B···O1^iii	0.81	2.22	2.986 (3)	156
O29—H29A···O1^vi	0.84	2.10	2.903 (3)	159
O29—H29B···O4	0.85	1.96	2.790 (3)	165
O39—H39B···O7^iii	0.84	2.06	2.896 (3)	177

Symmetry codes: (iii) x+1, y, z; (iv) −x+1, −y, −z; (vi) x+1, y+1, z; (viii) −x+3, −y, −z+1.