A novel parallel inter­penetrating two-dimensional (4,4) network: poly[[μ₂-1,4-bis­(imidazol-1-ylmeth­yl)benzene](μ₂-naphthalene-1,4-dicarboxyl­ato)zinc(II)]

In the title coordination compound, [Zn(C₁₂H₆O₄)(C₁₄H₁₄N₄)]_n, the two Zn^II centers exhibit different coordination environments. One Zn^II center is four-coordinated in a distorted tetra­hedral environment surrounded by two carboxyl­ate O atoms from two different naphthalene-1,4-dicarboxyl­ate (1,4-ndc) anions and two N atoms from two distinct 1,4-bis­(imidazol-1-ylmeth­yl)benzene (1,4-bix) ligands. The coordination of the second Zn^II center comprises two N atoms from two different 1,4-bix ligands and three carboxyl­ate O atoms from two different 1,4-ndc ligands in a highly distorted square-pyramidal environment. The 1,4-bix ligand and the 1,4-ndc anion link adjacent Zn^II centers into a two-dimensional four-connected (4,4) network. The two (4,4) networks are inter­penetrated in a parallel mode.

S1. Comment

The current interest in polymeric coordination networks is rapidly expanding not only for their potential applications in medical chemistry, host–guest chemistry, ion exchange, gas storage and nonlinear optics, but also for their intriguing variety of topologies (Carlucci et al., 2003; Eddaoudi et al., 2001). It is well known that structural diversity in coordination polymers can occur as a result of various processes, including supramolecular isomerism and interpenetration. In this regard, interpenetrating networks, as an important subject in the area of entanglement, have provided a long-standing fascination for chemists (Batten & Robson, 1998; Ockwig et al., 2005). Generally, the topology of a coordination polymer can often be controlled and modified by selecting the coordination geometry preferred by the metal ion and the chemical structure of the organic ligand chosen (Batten, 2001). Flexible N-donor ligands are good candidates for the assembly of versatile entangled structures, owing to their propensity to form large voids, of which bis(imidazole) ligands are a good choice. Using these ligands, many intriguing varieties of interpenetrating architectures and topologies have been constructed (Sun et al., 2009). Among the bis(imidazole) ligands, 1,4-bis(imidazol-1-ylmethyl)benzene (1,4-bix) is particularly interesting. For example, the flexible bridging 1,4-bix gives an unusual infinite two-dimensional polyrotaxane network when it is reacted with Cd^II sulfate hexahydrate (Carlucci et al., 2005). An unusual triply interpenetrating α-polonium topology is produced when it is reacted with Cd^II nitrate hexahydrate (Abrahams et al., 2002). In the present study, 1,4-bis(imidazol-1-ylmethyl)benzene (1,4-bix) assembles with zinc naphthalene-1,4-dicarboxylate (1,4-ndc) to furnish a 1:1 adduct, [Zn(1,4-bix)(1,4-ndc)]_2n (I), which exists as a twofold interpenetrating (4,4) topology.

The asymmetric unit of (I) (Fig. 1 and Table 1) contains two crystallographically independent Zn^II atoms, two unique 1,4-ndc anions and two unique 1,4-bix ligands. The two Zn^II atoms show different coordination spheres. Atom Zn1 is four-coordinated in a distorted tetrahedral environment surrounded by two carboxylate O atoms from two different 1,4-ndc anions and two N atoms from two distinct 1,4-bix ligands. The coordination of atom Zn2 is completed by two N atoms from two different 1,4-bix ligands, and three carboxylate O atoms from two different 1,4-ndc ligands in a distorted square-pyramidal enironment. One N atom (N5) and three O atoms (O1, O7ⁱⁱ and O8ⁱⁱ) constitute the base of the square-pyramid, whereas one N atom (N8ⁱⁱⁱ) occupies the apical position with a Zn—N8ⁱⁱⁱ distance of 2.046 (3) Å. The average Zn—O and Zn—N distances in (I) (Table 1) are comparable to those observed for [Zn(TITMB)(OAc)](OH).8.5H₂O [TITMB is 1,3,5-tris(imidazol-1-ylmethyl)-2,4,6-trimethylbenzene and OAc is the acetate anion; Fan et al., 2003]. As depicted in Fig. 2, each Zn^II center is bridged by the 1,4-ndc dianions and 1,4-bix ligands to give a two-dimensional four-connected (4,4) network. Along the c axis, the adjacent Zn^II centers are linked via the two carboxylate groups of the 1,4-ndc ligands to form one-dimensional chains. The 1,4-bix ligands further extend these chains along the b axis, yielding the final two-dimensional (4,4) network. Interestingly, the two (4,4) networks are interpenetrated in a parallel mode in the (110) plane (Fig. 3). The two interpenetrating networks are individually generated by translation and they are related by inversion.

It is noteworthy that the structure of (I) is entirely different from those of the two related structures [Cu(1,3-bdc)₂(1,4-bix)][Cu(1,4-bix)₂(H₂O)₂].4H₂O (1,3-bdc is 1,3-benzenedicarboxylate) and [Cu(1,4-ndc)(1,2-bix)₂].2H₂O (Yang et al., 2008). The reported complex [Cu(1,3-bdc)₂(1,4-bix)][Cu(1,4-bix)₂(H₂O)₂].4H₂O consists of two types of coordination polymers, namely two-dimensional (4,4) grids of [Cu(1,4-bix)₂(H₂O)₂]²⁺, and linear chains of [Cu(1,3-bdc)₂(1,4-bix)]^2-. The reported structure [Cu(1,4-ndc)(1,2-bix)₂].2H₂O contains two-dimensional (4,4) networks. However, this structure does not exhibit interpenetration. The structure of (I) is also entirely different from that of the related polymer [Zn(bis)_1.5(H₂O)(SO₄)].6H₂O [bis is 1,1'-(1,4-butanediyl)bis(imidazole); Ma et al., 2000]. In that structure, the networks are interpenetrated in an inclined mode by symmetry-related, identical networks to give an interlocked three-dimensional structure.

Related literature

For related literature, see: Abrahams et al. (2002); Batten (2001); Batten & Robson (1998); Carlucci et al. (2003, 2005); Eddaoudi et al. (2001); Fan et al. (2003); Ma et al. (2000); Ockwig et al. (2005); Sun et al. (2009); Yang et al. (2008).

S2. Experimental

Zinc chloride (0.068 g, 0.5 mmol), naphthalene-1,4-dicarboxylatic acid (0.108 g, 0.5 mmol) and 1,4-bis(imidazol-1-ylmethyl)benzene (0.119 g, 0.5 mmol) were placed in water (12 ml), and triethylamine was added until the pH value of the solution was 5.8. The solution was heated in a 25 ml Teflon-lined stainless-steel autoclave at 450 K for 5 d. The autoclave was allowed to cool to room temperature over several hours. Colourless blocks were isolated in about 42% yield.

S3. Refinement

The H atoms were treated as riding atoms in geometrically idealized positions with C—H distances of 0.93 and 0.97 Å, and U_iso(H) values of 1.2U_eq(C).

Computing details

Data collection: SMART (Bruker, 1997); cell refinement: SAINT (Bruker, 1999); data reduction: SAINT (Bruker, 1999); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: SHELXTL-Plus (Sheldrick, 2008); software used to prepare material for publication: publCIF (Westrip, 2009).

Figures

	Fig. 1. A view of the local coordination of the Zn^II cations in (I), showing the atom-numbering scheme. Displacement ellipsoids are drawn at the 20% probability level and H atoms have been omitted for clarity. [Symmetry codes: (i) x - 1, y - 1, z; (ii) x, y, 1 + z; (iii) x + 1, y + 1, z.]
	Fig. 2. A view of the two-dimensional (4,4) network in the (110) plane.
	Fig. 3. A view of the parallel interpenetrating (4,4) networks of (I) in the (110) plane.

poly[[µ₂-1,4-bis(imidazol-1-ylmethyl)benzene](µ₂-naphthalene-1,4- dicarboxylato)zinc(II)]

Crystal data

[Zn(C12H6O4)(C14H14N4)]	Z = 4
Mr = 517.83	F(000) = 1064
Triclinic, P1	Dx = 1.529 Mg m^−3
Hall symbol: -P 1	Mo Kα radiation, λ = 0.71073 Å
a = 10.4112 (5) Å	Cell parameters from 9159 reflections
b = 11.5745 (5) Å	θ = 3.0–26.4°
c = 19.1907 (9) Å	µ = 1.13 mm^−1
α = 96.319 (4)°	T = 293 K
β = 93.869 (5)°	Block, colourless
γ = 100.628 (4)°	0.33 × 0.27 × 0.22 mm
V = 2249.95 (18) Å^3

Data collection

Bruker APEX diffractometer	9159 independent reflections
Radiation source: sealed tube	4749 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.051
ϕ and ω scans	θmax = 26.4°, θmin = 2.1°
Absorption correction: multi-scan (SADABS; Sheldrick, 1996)	h = −10→12
Tmin = 0.680, Tmax = 0.775	k = −11→14
22060 measured reflections	l = −23→19

Refinement

Refinement on F^2	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F^2 > 2σ(F^2)] = 0.046	Hydrogen site location: inferred from neighbouring sites
wR(F^2) = 0.096	H-atom parameters constrained
S = 0.83	w = 1/[σ^2(Fo^2) + (0.0401P)^2] where P = (Fo^2 + 2Fc^2)/3
9159 reflections	(Δ/σ)max = 0.001
631 parameters	Δρmax = 0.74 e Å^−3
0 restraints	Δρmin = −0.44 e Å^−3

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.

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.

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

	x	y	z	Uiso*/Ueq
C1	0.2626 (4)	0.3646 (4)	0.5233 (2)	0.0351 (10)
C2	0.2869 (3)	0.3098 (3)	0.45137 (19)	0.0302 (9)
C3	0.3643 (4)	0.3798 (4)	0.4111 (2)	0.0418 (11)
H3	0.4072	0.4553	0.4305	0.050*
C4	0.3796 (4)	0.3392 (4)	0.3412 (2)	0.0412 (11)
H4	0.4352	0.3871	0.3155	0.049*
C5	0.3147 (4)	0.2308 (4)	0.31005 (19)	0.0338 (10)
C6	0.3308 (5)	0.1920 (4)	0.2336 (2)	0.0372 (10)
C7	0.2391 (4)	0.1540 (3)	0.35079 (19)	0.0321 (9)
C8	0.1765 (4)	0.0361 (4)	0.3232 (2)	0.0481 (11)
H8	0.1796	0.0108	0.2758	0.058*
C9	0.1127 (4)	−0.0403 (4)	0.3637 (2)	0.0514 (12)
H9	0.0715	−0.1162	0.3439	0.062*
C10	0.1090 (4)	−0.0044 (4)	0.4353 (2)	0.0467 (11)
H10	0.0698	−0.0582	0.4638	0.056*
C11	0.1621 (4)	0.1084 (4)	0.4638 (2)	0.0376 (10)
H11	0.1555	0.1312	0.5112	0.045*
C12	0.2271 (3)	0.1920 (3)	0.42316 (19)	0.0308 (9)
C13	0.3942 (4)	0.2548 (4)	0.02233 (19)	0.0308 (9)
C14	0.3324 (3)	0.2869 (3)	−0.04431 (18)	0.0276 (9)
C15	0.4038 (4)	0.3724 (4)	−0.0767 (2)	0.0378 (10)
H15	0.4835	0.4147	−0.0547	0.045*
C16	0.3590 (4)	0.3981 (4)	−0.1435 (2)	0.0473 (11)
H16	0.4086	0.4586	−0.1640	0.057*
C17	0.2454 (4)	0.3362 (4)	−0.1782 (2)	0.0396 (11)
C18	0.2046 (5)	0.3659 (6)	−0.2510 (3)	0.0648 (16)
C19	0.1625 (4)	0.2497 (3)	−0.14372 (19)	0.0301 (9)
C20	0.0360 (4)	0.1912 (4)	−0.1743 (2)	0.0457 (12)
H20	0.0093	0.2008	−0.2202	0.055*
C21	−0.0468 (4)	0.1210 (4)	−0.1372 (2)	0.0496 (12)
H21	−0.1293	0.0828	−0.1577	0.059*
C22	−0.0072 (4)	0.1068 (4)	−0.0683 (2)	0.0441 (11)
H22	−0.0650	0.0616	−0.0424	0.053*
C23	0.1147 (4)	0.1582 (3)	−0.0386 (2)	0.0346 (10)
H23	0.1395	0.1465	0.0071	0.042*
C24	0.2049 (3)	0.2290 (3)	−0.07573 (19)	0.0273 (9)
C25	0.7383 (4)	0.2540 (3)	0.15535 (19)	0.0290 (9)
H25	0.7109	0.3239	0.1704	0.035*
C26	0.7387 (4)	0.0760 (3)	0.11086 (19)	0.0338 (10)
H26	0.7104	−0.0013	0.0891	0.041*
C27	0.8634 (4)	0.1259 (4)	0.1338 (2)	0.0373 (10)
H27	0.9363	0.0903	0.1309	0.045*
C28	0.9778 (4)	0.3254 (4)	0.1959 (2)	0.0395 (10)
H28A	1.0411	0.2827	0.2150	0.047*
H28B	0.9510	0.3735	0.2349	0.047*
C29	1.0433 (4)	0.4059 (3)	0.1467 (2)	0.0320 (9)
C30	0.9818 (4)	0.4899 (4)	0.1200 (2)	0.0363 (10)
H30	0.8955	0.4916	0.1290	0.044*
C31	1.0448 (4)	0.5704 (3)	0.0808 (2)	0.0350 (10)
H31	1.0012	0.6258	0.0633	0.042*
C32	1.1730 (4)	0.5699 (3)	0.06681 (19)	0.0318 (9)
C33	1.2333 (4)	0.4839 (4)	0.0904 (2)	0.0406 (11)
H33	1.3185	0.4810	0.0796	0.049*
C34	1.1706 (4)	0.4024 (3)	0.1293 (2)	0.0358 (10)
H34	1.2130	0.3443	0.1443	0.043*
C35	1.2479 (4)	0.6655 (3)	0.0295 (2)	0.0372 (10)
H35A	1.3120	0.6333	0.0028	0.045*
H35B	1.1876	0.6915	−0.0035	0.045*
C36	1.3479 (4)	0.8788 (3)	0.06507 (19)	0.0306 (9)
H36	1.3297	0.9020	0.0212	0.037*
C37	1.4127 (4)	0.8816 (4)	0.1728 (2)	0.0439 (11)
H37	1.4488	0.9082	0.2187	0.053*
C38	1.3572 (4)	0.7693 (4)	0.1486 (2)	0.0489 (12)
H38	1.3485	0.7047	0.1739	0.059*
C39	−0.1608 (4)	0.3296 (4)	0.5787 (2)	0.0410 (10)
H39	−0.1389	0.3109	0.5332	0.049*
C40	−0.1474 (4)	0.3919 (4)	0.6870 (2)	0.0575 (14)
H40	−0.1141	0.4245	0.7325	0.069*
C41	−0.2746 (4)	0.3482 (5)	0.6666 (2)	0.0666 (15)
H41	−0.3442	0.3466	0.6947	0.080*
C42	−0.4026 (4)	0.2510 (4)	0.5520 (2)	0.0574 (13)
H42A	−0.3791	0.2161	0.5075	0.069*
H42B	−0.4530	0.3109	0.5423	0.069*
C43	−0.4853 (4)	0.1565 (4)	0.5865 (2)	0.0448 (11)
C44	−0.4556 (4)	0.0454 (4)	0.5854 (2)	0.0492 (12)
H44	−0.3867	0.0266	0.5609	0.059*
C45	−0.5281 (5)	−0.0383 (4)	0.6207 (2)	0.0503 (12)
H45	−0.5071	−0.1131	0.6198	0.060*
C46	−0.6316 (4)	−0.0125 (4)	0.6573 (2)	0.0401 (10)
C47	−0.6602 (4)	0.0979 (4)	0.6577 (2)	0.0483 (12)
H47	−0.7300	0.1162	0.6817	0.058*
C48	−0.5889 (4)	0.1820 (4)	0.6238 (2)	0.0461 (11)
H48	−0.6097	0.2570	0.6256	0.055*
C49	−0.7005 (5)	−0.0992 (4)	0.7018 (2)	0.0532 (12)
H49A	−0.6354	−0.1214	0.7336	0.064*
H49B	−0.7574	−0.0602	0.7302	0.064*
C50	−0.7537 (4)	−0.3163 (4)	0.6613 (2)	0.0377 (10)
H50	−0.6779	−0.3332	0.6830	0.045*
C51	−0.9397 (4)	−0.3331 (4)	0.6034 (2)	0.0433 (11)
H51	−1.0188	−0.3659	0.5770	0.052*
C52	−0.8975 (4)	−0.2183 (4)	0.6244 (2)	0.0513 (12)
H52	−0.9405	−0.1570	0.6155	0.062*
N1	0.6596 (3)	0.1573 (3)	0.12458 (15)	0.0268 (7)
N2	0.8624 (3)	0.2393 (3)	0.16229 (15)	0.0303 (8)
N3	1.3158 (3)	0.7682 (3)	0.07956 (16)	0.0308 (7)
N4	1.4084 (3)	0.9518 (3)	0.11971 (16)	0.0305 (8)
N5	−0.0744 (3)	0.3814 (3)	0.63125 (17)	0.0373 (8)
N6	−0.2822 (3)	0.3068 (3)	0.59723 (17)	0.0424 (9)
N7	−0.7797 (3)	−0.2080 (3)	0.66147 (16)	0.0379 (8)
N8	−0.8493 (3)	−0.3961 (3)	0.62635 (16)	0.0333 (8)
O1	0.1452 (3)	0.3404 (3)	0.53991 (13)	0.0447 (7)
O2	0.3522 (3)	0.4298 (3)	0.56122 (15)	0.0543 (8)
O3	0.2339 (3)	0.1529 (3)	0.19147 (14)	0.0507 (8)
O4	0.4494 (3)	0.2037 (3)	0.21793 (13)	0.0457 (7)
O5	0.3688 (2)	0.1459 (2)	0.03180 (13)	0.0363 (6)
O6	0.4696 (3)	0.3310 (3)	0.06274 (14)	0.0459 (7)
O7	0.2240 (5)	0.4703 (4)	−0.2604 (2)	0.1041 (16)
O8	0.1547 (4)	0.2877 (4)	−0.29806 (18)	0.0896 (14)
Zn2	0.12582 (4)	0.42540 (4)	0.63090 (2)	0.03215 (14)
Zn1	0.46017 (4)	0.13060 (4)	0.12193 (2)	0.02786 (13)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
C1	0.041 (3)	0.037 (3)	0.028 (2)	0.012 (2)	−0.002 (2)	0.0020 (19)
C2	0.026 (2)	0.038 (3)	0.025 (2)	0.0062 (19)	0.0006 (17)	0.0000 (19)
C3	0.048 (3)	0.033 (3)	0.043 (3)	0.006 (2)	0.010 (2)	−0.001 (2)
C4	0.046 (3)	0.041 (3)	0.038 (3)	0.007 (2)	0.014 (2)	0.008 (2)
C5	0.037 (2)	0.039 (3)	0.028 (2)	0.012 (2)	0.0073 (18)	0.005 (2)
C6	0.053 (3)	0.029 (2)	0.034 (2)	0.014 (2)	0.012 (2)	0.0092 (19)
C7	0.038 (2)	0.034 (2)	0.025 (2)	0.005 (2)	0.0127 (18)	0.0042 (19)
C8	0.057 (3)	0.045 (3)	0.039 (3)	0.003 (2)	0.008 (2)	0.000 (2)
C9	0.063 (3)	0.039 (3)	0.046 (3)	−0.008 (2)	0.012 (2)	0.000 (2)
C10	0.050 (3)	0.045 (3)	0.046 (3)	0.004 (2)	0.019 (2)	0.012 (2)
C11	0.038 (2)	0.042 (3)	0.032 (2)	0.006 (2)	0.0105 (19)	0.004 (2)
C12	0.026 (2)	0.035 (3)	0.031 (2)	0.0046 (19)	0.0044 (17)	0.0029 (19)
C13	0.025 (2)	0.043 (3)	0.026 (2)	0.011 (2)	0.0037 (17)	0.003 (2)
C14	0.030 (2)	0.028 (2)	0.026 (2)	0.0066 (18)	0.0042 (17)	0.0078 (17)
C15	0.032 (2)	0.040 (3)	0.041 (3)	0.003 (2)	0.0014 (19)	0.010 (2)
C16	0.053 (3)	0.044 (3)	0.056 (3)	0.017 (2)	0.024 (2)	0.027 (2)
C17	0.048 (3)	0.053 (3)	0.029 (2)	0.033 (2)	0.009 (2)	0.013 (2)
C18	0.070 (4)	0.099 (5)	0.050 (3)	0.057 (4)	0.033 (3)	0.032 (3)
C19	0.037 (2)	0.031 (2)	0.025 (2)	0.015 (2)	0.0038 (18)	0.0008 (18)
C20	0.053 (3)	0.055 (3)	0.031 (2)	0.026 (3)	−0.012 (2)	−0.004 (2)
C21	0.040 (3)	0.048 (3)	0.055 (3)	0.005 (2)	−0.006 (2)	−0.007 (2)
C22	0.033 (2)	0.029 (2)	0.069 (3)	0.002 (2)	0.004 (2)	0.008 (2)
C23	0.037 (2)	0.032 (2)	0.037 (2)	0.010 (2)	0.0002 (19)	0.0088 (19)
C24	0.030 (2)	0.023 (2)	0.031 (2)	0.0092 (18)	0.0054 (17)	0.0052 (17)
C25	0.031 (2)	0.027 (2)	0.030 (2)	0.0064 (19)	0.0082 (17)	0.0057 (18)
C26	0.039 (2)	0.026 (2)	0.037 (2)	0.008 (2)	0.0082 (19)	0.0001 (18)
C27	0.034 (2)	0.040 (3)	0.042 (3)	0.014 (2)	0.0081 (19)	0.006 (2)
C28	0.035 (2)	0.043 (3)	0.036 (2)	−0.003 (2)	−0.0012 (19)	0.004 (2)
C29	0.031 (2)	0.024 (2)	0.034 (2)	−0.0051 (19)	−0.0032 (18)	−0.0052 (18)
C30	0.025 (2)	0.044 (3)	0.039 (2)	0.008 (2)	0.0079 (19)	−0.002 (2)
C31	0.033 (2)	0.030 (2)	0.040 (2)	0.0061 (19)	−0.0008 (19)	0.001 (2)
C32	0.033 (2)	0.024 (2)	0.034 (2)	0.0012 (19)	0.0013 (18)	−0.0047 (18)
C33	0.025 (2)	0.035 (3)	0.063 (3)	0.004 (2)	0.016 (2)	0.007 (2)
C34	0.028 (2)	0.028 (2)	0.049 (3)	0.0015 (19)	0.0008 (19)	0.007 (2)
C35	0.041 (2)	0.032 (2)	0.034 (2)	−0.002 (2)	0.0041 (19)	0.0014 (19)
C36	0.037 (2)	0.030 (2)	0.023 (2)	−0.0001 (19)	0.0021 (17)	0.0044 (18)
C37	0.060 (3)	0.039 (3)	0.026 (2)	−0.003 (2)	−0.012 (2)	0.006 (2)
C38	0.074 (3)	0.035 (3)	0.033 (3)	−0.002 (2)	−0.010 (2)	0.014 (2)
C39	0.047 (3)	0.044 (3)	0.030 (2)	0.002 (2)	0.009 (2)	0.006 (2)
C40	0.044 (3)	0.071 (4)	0.043 (3)	−0.014 (3)	0.006 (2)	−0.019 (2)
C41	0.044 (3)	0.092 (4)	0.051 (3)	−0.010 (3)	0.017 (2)	−0.016 (3)
C42	0.043 (3)	0.073 (4)	0.047 (3)	−0.013 (3)	−0.010 (2)	0.023 (3)
C43	0.039 (3)	0.049 (3)	0.040 (3)	−0.009 (2)	−0.014 (2)	0.015 (2)
C44	0.036 (3)	0.058 (3)	0.050 (3)	0.006 (2)	0.002 (2)	0.000 (3)
C45	0.061 (3)	0.041 (3)	0.048 (3)	0.013 (3)	−0.006 (2)	0.008 (2)
C46	0.050 (3)	0.037 (3)	0.029 (2)	0.002 (2)	−0.007 (2)	0.004 (2)
C47	0.044 (3)	0.039 (3)	0.060 (3)	0.006 (2)	0.000 (2)	0.008 (2)
C48	0.043 (3)	0.037 (3)	0.055 (3)	0.002 (2)	−0.005 (2)	0.012 (2)
C49	0.072 (3)	0.044 (3)	0.034 (3)	−0.010 (3)	−0.004 (2)	0.008 (2)
C50	0.031 (2)	0.045 (3)	0.039 (2)	0.009 (2)	−0.0007 (19)	0.016 (2)
C51	0.030 (2)	0.050 (3)	0.049 (3)	0.005 (2)	−0.0093 (19)	0.013 (2)
C52	0.048 (3)	0.048 (3)	0.061 (3)	0.013 (3)	−0.006 (2)	0.021 (2)
N1	0.0260 (17)	0.0250 (19)	0.0287 (17)	0.0017 (16)	0.0035 (14)	0.0056 (15)
N2	0.0292 (19)	0.031 (2)	0.0293 (18)	0.0015 (16)	0.0057 (14)	0.0056 (15)
N3	0.0324 (18)	0.027 (2)	0.0312 (19)	0.0006 (15)	0.0030 (14)	0.0053 (15)
N4	0.0291 (18)	0.0274 (19)	0.0330 (19)	0.0000 (15)	0.0001 (15)	0.0060 (16)
N5	0.0355 (19)	0.038 (2)	0.034 (2)	−0.0030 (17)	0.0036 (16)	0.0019 (16)
N6	0.032 (2)	0.049 (2)	0.040 (2)	−0.0090 (17)	−0.0001 (16)	0.0070 (18)
N7	0.041 (2)	0.036 (2)	0.033 (2)	−0.0015 (17)	−0.0034 (16)	0.0122 (16)
N8	0.0280 (18)	0.040 (2)	0.0295 (18)	0.0014 (17)	−0.0013 (15)	0.0065 (16)
O1	0.0410 (17)	0.065 (2)	0.0262 (15)	0.0090 (16)	0.0081 (13)	−0.0039 (14)
O2	0.0513 (19)	0.059 (2)	0.0440 (18)	0.0029 (17)	−0.0034 (15)	−0.0128 (16)
O3	0.059 (2)	0.060 (2)	0.0321 (17)	0.0118 (17)	0.0008 (15)	0.0033 (15)
O4	0.0512 (19)	0.057 (2)	0.0329 (16)	0.0155 (16)	0.0173 (14)	0.0052 (14)
O5	0.0422 (16)	0.0345 (18)	0.0314 (15)	0.0035 (14)	−0.0045 (12)	0.0116 (13)
O6	0.0459 (17)	0.0438 (18)	0.0438 (18)	0.0069 (15)	−0.0142 (14)	0.0014 (15)
O7	0.166 (4)	0.107 (4)	0.073 (3)	0.072 (3)	0.043 (3)	0.062 (3)
O8	0.084 (3)	0.164 (4)	0.034 (2)	0.058 (3)	0.0053 (19)	0.015 (2)
Zn2	0.0352 (3)	0.0368 (3)	0.0231 (3)	0.0039 (2)	0.0028 (2)	0.0030 (2)
Zn1	0.0278 (2)	0.0307 (3)	0.0237 (3)	0.0017 (2)	0.00036 (19)	0.0051 (2)

Geometric parameters (Å, º)

C1—O2	1.223 (5)	C31—C32	1.380 (5)
C1—O1	1.272 (4)	C31—H31	0.9300
C1—C2	1.513 (5)	C32—C33	1.371 (5)
C2—C3	1.372 (5)	C32—C35	1.509 (5)
C2—C12	1.421 (5)	C33—C34	1.368 (5)
C3—C4	1.402 (5)	C33—H33	0.9300
C3—H3	0.9300	C34—H34	0.9300
C4—C5	1.362 (5)	C35—N3	1.477 (5)
C4—H4	0.9300	C35—H35A	0.9700
C5—C7	1.414 (5)	C35—H35B	0.9700
C5—C6	1.516 (5)	C36—N4	1.316 (4)
C6—O3	1.231 (5)	C36—N3	1.326 (5)
C6—O4	1.277 (5)	C36—H36	0.9300
C7—C8	1.426 (5)	C37—C38	1.339 (6)
C7—C12	1.431 (5)	C37—N4	1.375 (5)
C8—C9	1.353 (6)	C37—H37	0.9300
C8—H8	0.9300	C38—N3	1.363 (5)
C9—C10	1.397 (6)	C38—H38	0.9300
C9—H9	0.9300	C39—N5	1.316 (5)
C10—C11	1.358 (5)	C39—N6	1.323 (5)
C10—H10	0.9300	C39—H39	0.9300
C11—C12	1.414 (5)	C40—C41	1.342 (6)
C11—H11	0.9300	C40—N5	1.361 (5)
C13—O6	1.228 (4)	C40—H40	0.9300
C13—O5	1.275 (5)	C41—N6	1.356 (5)
C13—C14	1.506 (5)	C41—H41	0.9300
C14—C15	1.358 (5)	C42—N6	1.474 (5)
C14—C24	1.432 (5)	C42—C43	1.505 (6)
C15—C16	1.415 (6)	C42—H42A	0.9700
C15—H15	0.9300	C42—H42B	0.9700
C16—C17	1.354 (6)	C43—C44	1.376 (6)
C16—H16	0.9300	C43—C48	1.392 (6)
C17—C19	1.445 (6)	C44—C45	1.382 (6)
C17—C18	1.527 (6)	C44—H44	0.9300
C18—O8	1.220 (7)	C45—C46	1.386 (6)
C18—O7	1.222 (6)	C45—H45	0.9300
C19—C24	1.409 (5)	C46—C47	1.363 (6)
C19—C20	1.420 (6)	C46—C49	1.502 (6)
C20—C21	1.365 (6)	C47—C48	1.364 (6)
C20—H20	0.9300	C47—H47	0.9300
C21—C22	1.394 (6)	C48—H48	0.9300
C21—H21	0.9300	C49—N7	1.476 (5)
C22—C23	1.356 (5)	C49—H49A	0.9700
C22—H22	0.9300	C49—H49B	0.9700
C23—C24	1.412 (5)	C50—N8	1.315 (5)
C23—H23	0.9300	C50—N7	1.330 (5)
C25—N1	1.313 (4)	C50—H50	0.9300
C25—N2	1.334 (4)	C51—C52	1.328 (6)
C25—H25	0.9300	C51—N8	1.371 (5)
C26—C27	1.343 (5)	C51—H51	0.9300
C26—N1	1.377 (4)	C52—N7	1.354 (5)
C26—H26	0.9300	C52—H52	0.9300
C27—N2	1.367 (5)	Zn1—O4	1.960 (3)
C27—H27	0.9300	Zn1—O5	1.958 (2)
C28—N2	1.472 (5)	Zn1—N1	2.038 (3)
C28—C29	1.507 (5)	Zn1—N4^i	2.035 (3)
C28—H28A	0.9700	Zn2—O1	1.950 (2)
C28—H28B	0.9700	Zn2—O7^ii	2.224 (4)
C29—C30	1.384 (5)	Zn2—O8^ii	2.256 (4)
C29—C34	1.395 (5)	Zn2—N5	2.053 (3)
C30—C31	1.363 (5)	Zn2—N8^iii	2.046 (3)
C30—H30	0.9300
O2—C1—O1	123.8 (4)	C32—C35—H35A	109.3
O2—C1—C2	120.3 (4)	N3—C35—H35B	109.3
O1—C1—C2	115.9 (4)	C32—C35—H35B	109.3
C3—C2—C12	119.6 (3)	H35A—C35—H35B	108.0
C3—C2—C1	117.9 (4)	N4—C36—N3	112.5 (3)
C12—C2—C1	122.4 (3)	N4—C36—H36	123.8
C2—C3—C4	121.0 (4)	N3—C36—H36	123.8
C2—C3—H3	119.5	C38—C37—N4	109.9 (4)
C4—C3—H3	119.5	C38—C37—H37	125.1
C5—C4—C3	121.3 (4)	N4—C37—H37	125.1
C5—C4—H4	119.4	C37—C38—N3	106.6 (4)
C3—C4—H4	119.4	C37—C38—H38	126.7
C4—C5—C7	119.3 (4)	N3—C38—H38	126.7
C4—C5—C6	119.5 (4)	N5—C39—N6	113.1 (3)
C7—C5—C6	121.1 (4)	N5—C39—H39	123.5
O3—C6—O4	124.5 (4)	N6—C39—H39	123.5
O3—C6—C5	120.5 (4)	C41—C40—N5	110.0 (4)
O4—C6—C5	115.0 (4)	C41—C40—H40	125.0
C5—C7—C8	122.4 (4)	N5—C40—H40	125.0
C5—C7—C12	120.1 (4)	C40—C41—N6	106.8 (4)
C8—C7—C12	117.5 (3)	C40—C41—H41	126.6
C9—C8—C7	122.3 (4)	N6—C41—H41	126.6
C9—C8—H8	118.9	N6—C42—C43	111.2 (3)
C7—C8—H8	118.9	N6—C42—H42A	109.4
C8—C9—C10	119.6 (4)	C43—C42—H42A	109.4
C8—C9—H9	120.2	N6—C42—H42B	109.4
C10—C9—H9	120.2	C43—C42—H42B	109.4
C11—C10—C9	120.6 (4)	H42A—C42—H42B	108.0
C11—C10—H10	119.7	C44—C43—C48	118.6 (4)
C9—C10—H10	119.7	C44—C43—C42	120.8 (4)
C10—C11—C12	121.7 (4)	C48—C43—C42	120.6 (4)
C10—C11—H11	119.2	C43—C44—C45	120.1 (4)
C12—C11—H11	119.2	C43—C44—H44	120.0
C11—C12—C2	123.4 (4)	C45—C44—H44	120.0
C11—C12—C7	118.1 (4)	C44—C45—C46	121.0 (4)
C2—C12—C7	118.4 (3)	C44—C45—H45	119.5
O6—C13—O5	123.3 (4)	C46—C45—H45	119.5
O6—C13—C14	119.9 (4)	C47—C46—C45	118.3 (4)
O5—C13—C14	116.7 (3)	C47—C46—C49	120.8 (4)
C15—C14—C24	119.1 (3)	C45—C46—C49	120.5 (4)
C15—C14—C13	117.8 (3)	C46—C47—C48	121.6 (4)
C24—C14—C13	123.0 (3)	C46—C47—H47	119.2
C14—C15—C16	121.2 (4)	C48—C47—H47	119.2
C14—C15—H15	119.4	C47—C48—C43	120.5 (4)
C16—C15—H15	119.4	C47—C48—H48	119.7
C17—C16—C15	121.2 (4)	C43—C48—H48	119.7
C17—C16—H16	119.4	N7—C49—C46	114.5 (3)
C15—C16—H16	119.4	N7—C49—H49A	108.6
C16—C17—C19	119.4 (4)	C46—C49—H49A	108.6
C16—C17—C18	118.6 (5)	N7—C49—H49B	108.6
C19—C17—C18	122.0 (4)	C46—C49—H49B	108.6
O8—C18—O7	121.5 (5)	H49A—C49—H49B	107.6
O8—C18—C17	120.8 (6)	N8—C50—N7	110.9 (3)
O7—C18—C17	117.8 (6)	N8—C50—H50	124.5
C24—C19—C20	119.1 (4)	N7—C50—H50	124.5
C24—C19—C17	118.9 (4)	C52—C51—N8	110.0 (4)
C20—C19—C17	121.9 (4)	C52—C51—H51	125.0
C21—C20—C19	120.8 (4)	N8—C51—H51	125.0
C21—C20—H20	119.6	C51—C52—N7	106.4 (4)
C19—C20—H20	119.6	C51—C52—H52	126.8
C20—C21—C22	119.7 (4)	N7—C52—H52	126.8
C20—C21—H21	120.1	C25—N1—C26	105.6 (3)
C22—C21—H21	120.1	C25—N1—Zn1	123.8 (2)
C23—C22—C21	120.7 (4)	C26—N1—Zn1	129.1 (2)
C23—C22—H22	119.6	C25—N2—C27	107.0 (3)
C21—C22—H22	119.6	C25—N2—C28	127.6 (3)
C22—C23—C24	121.4 (4)	C27—N2—C28	125.3 (3)
C22—C23—H23	119.3	C36—N3—C38	106.7 (3)
C24—C23—H23	119.3	C36—N3—C35	125.6 (3)
C19—C24—C23	118.0 (3)	C38—N3—C35	127.7 (3)
C19—C24—C14	119.7 (3)	C36—N4—C37	104.4 (3)
C23—C24—C14	122.1 (3)	C36—N4—Zn1^iii	124.8 (3)
N1—C25—N2	111.5 (3)	C37—N4—Zn1^iii	130.5 (3)
N1—C25—H25	124.2	C39—N5—C40	104.0 (3)
N2—C25—H25	124.2	C39—N5—Zn2	127.9 (3)
C27—C26—N1	109.2 (3)	C40—N5—Zn2	127.9 (3)
C27—C26—H26	125.4	C39—N6—C41	106.0 (3)
N1—C26—H26	125.4	C39—N6—C42	127.6 (4)
C26—C27—N2	106.7 (3)	C41—N6—C42	126.4 (4)
C26—C27—H27	126.7	C50—N7—C52	107.6 (4)
N2—C27—H27	126.7	C50—N7—C49	125.3 (4)
N2—C28—C29	113.7 (3)	C52—N7—C49	126.7 (4)
N2—C28—H28A	108.8	C50—N8—C51	105.1 (3)
C29—C28—H28A	108.8	C50—N8—Zn2^i	124.8 (3)
N2—C28—H28B	108.8	C51—N8—Zn2^i	128.2 (3)
C29—C28—H28B	108.8	C1—O1—Zn2	111.4 (2)
H28A—C28—H28B	107.7	C6—O4—Zn1	111.6 (3)
C30—C29—C34	117.6 (4)	C13—O5—Zn1	107.7 (2)
C30—C29—C28	121.2 (3)	C18—O7—Zn2^iv	91.5 (4)
C34—C29—C28	121.2 (4)	C18—O8—Zn2^iv	90.1 (4)
C31—C30—C29	121.6 (4)	O5—Zn1—O4	131.58 (11)
C31—C30—H30	119.2	O5—Zn1—N4^i	98.42 (12)
C29—C30—H30	119.2	O4—Zn1—N4^i	108.08 (12)
C30—C31—C32	120.4 (4)	O5—Zn1—N1	115.50 (11)
C30—C31—H31	119.8	O4—Zn1—N1	97.48 (12)
C32—C31—H31	119.8	N4^i—Zn1—N1	102.78 (12)
C33—C32—C31	118.7 (4)	O1—Zn2—N8^iii	111.14 (12)
C33—C32—C35	120.4 (3)	O1—Zn2—N5	99.11 (12)
C31—C32—C35	120.8 (4)	N8^iii—Zn2—N5	100.87 (13)
C34—C33—C32	121.3 (4)	O1—Zn2—O7^ii	140.89 (14)
C34—C33—H33	119.4	N8^iii—Zn2—O7^ii	86.96 (15)
C32—C33—H33	119.4	N5—Zn2—O7^ii	111.53 (15)
C33—C34—C29	120.4 (4)	O1—Zn2—O8^ii	100.20 (14)
C33—C34—H34	119.8	N8^iii—Zn2—O8^ii	143.68 (15)
C29—C34—H34	119.8	N5—Zn2—O8^ii	91.51 (14)
N3—C35—C32	111.6 (3)	O7^ii—Zn2—O8^ii	56.80 (15)
N3—C35—H35A	109.3
O2—C1—C2—C3	−41.9 (5)	C43—C44—C45—C46	0.3 (7)
O1—C1—C2—C3	136.7 (4)	C44—C45—C46—C47	−0.1 (6)
O2—C1—C2—C12	141.6 (4)	C44—C45—C46—C49	−173.4 (4)
O1—C1—C2—C12	−39.8 (5)	C45—C46—C47—C48	−0.6 (6)
C12—C2—C3—C4	3.5 (6)	C49—C46—C47—C48	172.7 (4)
C1—C2—C3—C4	−173.1 (4)	C46—C47—C48—C43	1.1 (7)
C2—C3—C4—C5	2.4 (6)	C44—C43—C48—C47	−0.8 (6)
C3—C4—C5—C7	−5.4 (6)	C42—C43—C48—C47	−177.1 (4)
C3—C4—C5—C6	178.1 (4)	C47—C46—C49—N7	117.3 (4)
C4—C5—C6—O3	−129.8 (4)	C45—C46—C49—N7	−69.5 (5)
C7—C5—C6—O3	53.8 (5)	N8—C51—C52—N7	−0.4 (5)
C4—C5—C6—O4	50.0 (5)	N2—C25—N1—C26	−0.2 (4)
C7—C5—C6—O4	−126.5 (4)	N2—C25—N1—Zn1	167.0 (2)
C4—C5—C7—C8	−175.2 (4)	C27—C26—N1—C25	0.0 (4)
C6—C5—C7—C8	1.3 (6)	C27—C26—N1—Zn1	−166.2 (3)
C4—C5—C7—C12	2.5 (6)	N1—C25—N2—C27	0.3 (4)
C6—C5—C7—C12	179.0 (3)	N1—C25—N2—C28	−177.9 (3)
C5—C7—C8—C9	174.8 (4)	C26—C27—N2—C25	−0.3 (4)
C12—C7—C8—C9	−3.0 (6)	C26—C27—N2—C28	178.0 (3)
C7—C8—C9—C10	−1.1 (7)	C29—C28—N2—C25	−88.0 (5)
C8—C9—C10—C11	3.9 (7)	C29—C28—N2—C27	94.2 (4)
C9—C10—C11—C12	−2.5 (6)	N4—C36—N3—C38	0.5 (4)
C10—C11—C12—C2	−178.3 (4)	N4—C36—N3—C35	−179.6 (3)
C10—C11—C12—C7	−1.7 (6)	C37—C38—N3—C36	0.1 (5)
C3—C2—C12—C11	170.5 (4)	C37—C38—N3—C35	−179.8 (3)
C1—C2—C12—C11	−13.2 (6)	C32—C35—N3—C36	−154.0 (3)
C3—C2—C12—C7	−6.1 (5)	C32—C35—N3—C38	25.8 (5)
C1—C2—C12—C7	170.3 (3)	N3—C36—N4—C37	−0.9 (4)
C5—C7—C12—C11	−173.6 (4)	N3—C36—N4—Zn1^iii	−174.6 (2)
C8—C7—C12—C11	4.2 (5)	C38—C37—N4—C36	0.9 (5)
C5—C7—C12—C2	3.2 (5)	C38—C37—N4—Zn1^iii	174.2 (3)
C8—C7—C12—C2	−179.0 (3)	N6—C39—N5—C40	0.0 (5)
O6—C13—C14—C15	33.3 (5)	N6—C39—N5—Zn2	176.0 (3)
O5—C13—C14—C15	−143.4 (3)	C41—C40—N5—C39	−0.9 (5)
O6—C13—C14—C24	−148.8 (3)	C41—C40—N5—Zn2	−176.9 (3)
O5—C13—C14—C24	34.5 (5)	N5—C39—N6—C41	0.9 (5)
C24—C14—C15—C16	−5.2 (6)	N5—C39—N6—C42	179.4 (4)
C13—C14—C15—C16	172.7 (3)	C40—C41—N6—C39	−1.4 (6)
C14—C15—C16—C17	−1.8 (6)	C40—C41—N6—C42	−179.9 (4)
C15—C16—C17—C19	5.6 (6)	C43—C42—N6—C39	133.6 (5)
C15—C16—C17—C18	−178.2 (4)	C43—C42—N6—C41	−48.2 (7)
C16—C17—C18—O8	140.4 (5)	N8—C50—N7—C52	−0.4 (4)
C19—C17—C18—O8	−43.5 (6)	N8—C50—N7—C49	173.3 (3)
C16—C17—C18—O7	−39.4 (6)	C51—C52—N7—C50	0.5 (5)
C19—C17—C18—O7	136.7 (5)	C51—C52—N7—C49	−173.1 (4)
C16—C17—C19—C24	−2.3 (5)	C46—C49—N7—C50	112.5 (4)
C18—C17—C19—C24	−178.3 (4)	C46—C49—N7—C52	−74.9 (6)
C16—C17—C19—C20	173.2 (4)	N7—C50—N8—C51	0.1 (4)
C18—C17—C19—C20	−2.8 (6)	N7—C50—N8—Zn2^i	−165.0 (2)
C24—C19—C20—C21	3.7 (6)	C52—C51—N8—C50	0.2 (5)
C17—C19—C20—C21	−171.8 (4)	C52—C51—N8—Zn2^i	164.6 (3)
C19—C20—C21—C22	0.3 (6)	O2—C1—O1—Zn2	2.5 (5)
C20—C21—C22—C23	−2.6 (6)	C2—C1—O1—Zn2	−176.0 (2)
C21—C22—C23—C24	1.0 (6)	O3—C6—O4—Zn1	−8.4 (5)
C20—C19—C24—C23	−5.2 (5)	C5—C6—O4—Zn1	171.9 (2)
C17—C19—C24—C23	170.5 (3)	O6—C13—O5—Zn1	3.8 (4)
C20—C19—C24—C14	179.7 (3)	C14—C13—O5—Zn1	−179.6 (2)
C17—C19—C24—C14	−4.6 (5)	O8—C18—O7—Zn2^iv	4.1 (5)
C22—C23—C24—C19	2.9 (5)	C17—C18—O7—Zn2^iv	−176.0 (3)
C22—C23—C24—C14	177.9 (3)	O7—C18—O8—Zn2^iv	−4.1 (5)
C15—C14—C24—C19	8.4 (5)	C17—C18—O8—Zn2^iv	176.1 (4)
C13—C14—C24—C19	−169.4 (3)	C1—O1—Zn2—N8^iii	67.2 (3)
C15—C14—C24—C23	−166.5 (3)	C1—O1—Zn2—N5	172.7 (3)
C13—C14—C24—C23	15.6 (5)	C1—O1—Zn2—O7^ii	−45.5 (4)
N1—C26—C27—N2	0.1 (4)	C1—O1—Zn2—O8^ii	−94.1 (3)
N2—C28—C29—C30	68.1 (5)	C39—N5—Zn2—O1	−10.9 (4)
N2—C28—C29—C34	−115.1 (4)	C40—N5—Zn2—O1	164.2 (4)
C34—C29—C30—C31	−3.0 (6)	C39—N5—Zn2—N8^iii	102.9 (4)
C28—C29—C30—C31	173.8 (4)	C40—N5—Zn2—N8^iii	−82.0 (4)
C29—C30—C31—C32	−0.1 (6)	C39—N5—Zn2—O7^ii	−166.1 (3)
C30—C31—C32—C33	2.9 (6)	C40—N5—Zn2—O7^ii	9.0 (4)
C30—C31—C32—C35	−174.1 (4)	C39—N5—Zn2—O8^ii	−111.5 (4)
C31—C32—C33—C34	−2.5 (6)	C40—N5—Zn2—O8^ii	63.7 (4)
C35—C32—C33—C34	174.6 (4)	C13—O5—Zn1—O4	58.9 (3)
C32—C33—C34—C29	−0.7 (6)	C13—O5—Zn1—N4^i	−177.7 (2)
C30—C29—C34—C33	3.4 (6)	C13—O5—Zn1—N1	−69.1 (2)
C28—C29—C34—C33	−173.4 (4)	C6—O4—Zn1—O5	50.7 (3)
C33—C32—C35—N3	−88.3 (4)	C6—O4—Zn1—N4^i	−69.0 (3)
C31—C32—C35—N3	88.7 (4)	C6—O4—Zn1—N1	−175.1 (3)
N4—C37—C38—N3	−0.6 (5)	C25—N1—Zn1—O5	104.5 (3)
N5—C40—C41—N6	1.4 (6)	C26—N1—Zn1—O5	−91.5 (3)
N6—C42—C43—C44	−80.0 (5)	C25—N1—Zn1—O4	−39.1 (3)
N6—C42—C43—C48	96.2 (5)	C26—N1—Zn1—O4	124.9 (3)
C48—C43—C44—C45	0.1 (6)	C25—N1—Zn1—N4^i	−149.6 (3)
C42—C43—C44—C45	176.4 (4)	C26—N1—Zn1—N4^i	14.4 (3)

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