Poly[(μ(2)-4,4'-bipyridine)bis-(μ(4)-5-tert-butyl-isophthalato)bis-(μ(3)-5-tert-butyl-isophthalato)di-μ(3)-hydroxido-penta-zinc(II)].

The asymmetric unit of the title compound, [Zn(5)(C(12)H(12)O(4))(4)(OH)(2)(C(10)H(8)N(2))](n), consists of three Zn(II) ions (one of which is located on a twofold rotation axis), two 5-tert-butyl-isophthalate ligands, one 4,4'-bipyridine ligand and one hydroxide group. The five Zn(II) ions form a penta-nuclear zinc cluster, which is further bridged by ten organic ligands, forming two-dimensional sheets. The central zinc ion of the cluster has site symmetry 2 and is octahedrally coordinated in a N(2)O(4) donor set, whereas the other four zinc atoms are tetrahedrally coordinated by four O atoms. The coordination modes for the 5-tert-butyl-isophthalates are bis-(bidentate) or bidentate-monodentate. Hydrogen bonds are formed between adjacent sheets through the hydroxide groups and the O atoms of the monodentate carboxyl-ate groups. The two tert-butyl groups are disordered over two positions with ratios of 0.64 (2):0.36 (2) and 0.85 (3):0.15 (3).

Related literature

For general background to the structures and potential applications of isophthalic acid and its derivatives, see Li & Huang (2008 ▶); Ma et al. (2007 ▶); Pan et al. (2006 ▶); Yang et al. (2002 ▶, 2005 ▶). For related structures, see Li et al. (2004 ▶); Wang et al. (2005 ▶).

Experimental

Crystal data

[Zn5(C12H12O4)4(OH)2(C10H8N2)]

M = 1397.91

Monoclinic,

a = 26.1995 (5) Å

b = 11.2592 (2) Å

c = 19.6223 (4) Å

β = 102.0444 (18)°

V = 5660.87 (19) Å3

Z = 4

Mo Kα radiation

μ = 2.16 mm−1

T = 173 K

0.34 × 0.30 × 0.20 mm

Data collection

Oxford Diffraction Gemini S Ultra diffractometer

Absorption correction: multi-scan (CrysAlis RED; Oxford Diffraction, 2007 ▶) T min = 0.527, T max = 0.671

13453 measured reflections

5494 independent reflections

4246 reflections with I > 2σ(I)

R int = 0.031

Refinement

R[F 2 > 2σ(F 2)] = 0.028

wR(F 2) = 0.066

S = 1.00

5494 reflections

401 parameters

13 restraints

H atoms treated by a mixture of independent and constrained refinement

Δρmax = 1.25 e Å−3

Δρmin = −0.38 e Å−3

Data collection: CrysAlis CCD (Oxford Diffraction, 2007 ▶); cell refinement: CrysAlis RED (Oxford Diffraction, 2007 ▶); data reduction: CrysAlis RED; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008 ▶); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008 ▶); molecular graphics: ORTEPIII (Burnett & Johnson, 1996 ▶); software used to prepare material for publication: SHELXL97.

Crystal structure: contains datablocks I, global. DOI: 10.1107/S1600536809031365/dn2465sup1.cif

Structure factors: contains datablocks I. DOI: 10.1107/S1600536809031365/dn2465Isup2.hkl

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

[Zn5(C12H12O4)4(OH)2(C10H8N2)]	F(000) = 2856
Mr = 1397.91	Dx = 1.640 Mg m−3
Monoclinic, C2/c	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -C 2yc	Cell parameters from 7045 reflections
a = 26.1995 (5) Å	θ = 2.3–29.1°
b = 11.2592 (2) Å	µ = 2.16 mm−1
c = 19.6223 (4) Å	T = 173 K
β = 102.0444 (18)°	Block, colorless
V = 5660.87 (19) Å3	0.34 × 0.30 × 0.20 mm
Z = 4

Oxford Diffraction Gemini S Ultra diffractometer	5494 independent reflections
Radiation source: fine-focus sealed tube	4246 reflections with I > 2σ(I)
graphite	Rint = 0.031
Detector resolution: 16.1903 pixels mm-1	θmax = 26.0°, θmin = 2.3°
CrysAlis RED, Oxford Diffraction scans	h = −32→32
Absorption correction: multi-scan (CrysAlis RED; Oxford Diffraction, 2007)	k = −13→13
Tmin = 0.527, Tmax = 0.671	l = −24→24
13453 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)] = 0.028	Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.066	H atoms treated by a mixture of independent and constrained refinement
S = 1.00	w = 1/[σ2(Fo2) + (0.0319P)2] where P = (Fo2 + 2Fc2)/3
5494 reflections	(Δ/σ)max = 0.001
401 parameters	Δρmax = 1.25 e Å−3
13 restraints	Δρmin = −0.38 e Å−3

Experimental. (CrysAlis RED; Oxford Diffraction Ltd., Version 1.171.31.8 Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm.

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.

	x	y	z	Uiso*/Ueq	Occ. (<1)
Zn1	0.0000	0.39344 (4)	0.2500	0.01133 (10)
Zn2	0.112667 (11)	0.33542 (3)	0.193919 (15)	0.01162 (8)
Zn3	0.027868 (11)	0.29870 (3)	0.072954 (15)	0.01269 (8)
O1	0.07251 (7)	0.39814 (15)	0.32346 (9)	0.0160 (4)
O2	0.14721 (7)	0.37581 (17)	0.28684 (9)	0.0204 (4)
O3	0.08674 (7)	0.64886 (16)	0.53303 (9)	0.0179 (4)
O4	0.14678 (7)	0.58893 (16)	0.62566 (9)	0.0175 (4)
O5	0.11765 (7)	0.16380 (15)	0.18948 (10)	0.0209 (5)
O6	0.04856 (7)	0.13238 (15)	0.10268 (9)	0.0190 (4)
O7	0.03696 (7)	−0.41560 (16)	0.07271 (9)	0.0212 (5)
O8	0.03202 (7)	−0.26648 (16)	−0.00443 (9)	0.0191 (4)
O9	0.03909 (6)	0.39068 (16)	0.16139 (9)	0.0117 (4)
H9	0.0417 (14)	0.4619 (13)	0.1502 (18)	0.053 (12)*
N1	0.0000	0.5789 (3)	0.2500	0.0137 (7)
N2	0.0000	1.2080 (3)	0.2500	0.0133 (7)
C1	0.15186 (10)	0.4375 (2)	0.40284 (13)	0.0146 (6)
C2	0.12650 (10)	0.4891 (2)	0.45008 (13)	0.0143 (6)
H2A	0.0896	0.4966	0.4394	0.017*
C3	0.15512 (10)	0.5302 (2)	0.51342 (13)	0.0153 (6)
C4	0.20896 (10)	0.5139 (2)	0.52952 (14)	0.0190 (6)
H4A	0.2281	0.5394	0.5736	0.023*
C5	0.23537 (10)	0.4616 (2)	0.48317 (14)	0.0192 (6)
C6	0.20612 (10)	0.4258 (2)	0.41891 (13)	0.0179 (6)
H6A	0.2234	0.3928	0.3853	0.022*
C7	0.12122 (10)	0.3999 (2)	0.33291 (13)	0.0138 (6)
C8	0.12757 (10)	0.5938 (2)	0.56094 (13)	0.0146 (6)
C9	0.29516 (11)	0.4496 (3)	0.50082 (15)	0.0298 (8)
C13	0.09777 (10)	−0.0335 (2)	0.15251 (13)	0.0143 (6)
C14	0.06872 (10)	−0.1106 (2)	0.10376 (13)	0.0151 (6)
H14A	0.0425	−0.0802	0.0671	0.018*
C15	0.07813 (10)	−0.2310 (2)	0.10888 (13)	0.0138 (6)
C16	0.11761 (10)	−0.2758 (2)	0.16168 (13)	0.0142 (6)
H16A	0.1234	−0.3590	0.1652	0.017*
C17	0.14871 (10)	−0.2000 (2)	0.20925 (13)	0.0146 (6)
C18	0.13744 (10)	−0.0788 (2)	0.20429 (13)	0.0164 (6)
H18A	0.1574	−0.0259	0.2371	0.020*
C19	0.08700 (10)	0.0960 (2)	0.14760 (13)	0.0142 (6)
C20	0.04689 (10)	−0.3146 (2)	0.05614 (13)	0.0148 (6)
C21	0.19303 (10)	−0.2492 (2)	0.26583 (14)	0.0187 (6)
C25	0.02271 (10)	0.6417 (2)	0.30652 (14)	0.0175 (6)
H25A	0.0392	0.5995	0.3471	0.021*
C26	0.02324 (10)	0.7631 (2)	0.30859 (14)	0.0183 (6)
H26A	0.0395	0.8032	0.3501	0.022*
C27	0.0000	0.8278 (3)	0.2500	0.0154 (8)
C28	0.0000	0.9584 (3)	0.2500	0.0139 (8)
C29	0.03577 (10)	1.0240 (2)	0.29771 (14)	0.0212 (7)
H29A	0.0615	0.9842	0.3313	0.025*
C30	0.03423 (10)	1.1455 (2)	0.29664 (14)	0.0200 (6)
H30A	0.0587	1.1876	0.3307	0.024*
C10	0.3204 (3)	0.5629 (6)	0.4881 (6)	0.0346 (8)	0.64 (2)
H10A	0.3078	0.6268	0.5143	0.052*	0.64 (2)
H10B	0.3118	0.5815	0.4383	0.052*	0.64 (2)
H10C	0.3583	0.5553	0.5035	0.052*	0.64 (2)
C11	0.3152 (4)	0.3482 (11)	0.4639 (7)	0.0346 (8)	0.64 (2)
H11A	0.3003	0.2735	0.4765	0.052*	0.64 (2)
H11B	0.3533	0.3449	0.4778	0.052*	0.64 (2)
H11C	0.3050	0.3602	0.4135	0.052*	0.64 (2)
C12	0.3125 (3)	0.4137 (9)	0.5797 (4)	0.0346 (8)	0.64 (2)
H12A	0.2922	0.3448	0.5892	0.052*	0.64 (2)
H12B	0.3064	0.4804	0.6091	0.052*	0.64 (2)
H12C	0.3497	0.3935	0.5900	0.052*	0.64 (2)
C22	0.2377 (5)	−0.1604 (13)	0.2822 (5)	0.0257 (16)	0.85 (3)
H22A	0.2260	−0.0887	0.3027	0.039*	0.85 (3)
H22B	0.2490	−0.1394	0.2392	0.039*	0.85 (3)
H22C	0.2670	−0.1958	0.3153	0.039*	0.85 (3)
C23	0.1707 (3)	−0.2688 (9)	0.3319 (3)	0.0387 (18)	0.85 (3)
H23A	0.1565	−0.1939	0.3453	0.058*	0.85 (3)
H23B	0.1985	−0.2966	0.3699	0.058*	0.85 (3)
H23C	0.1429	−0.3284	0.3222	0.058*	0.85 (3)
C24	0.2143 (3)	−0.3666 (6)	0.2451 (5)	0.039 (2)	0.85 (3)
H24A	0.1865	−0.4264	0.2379	0.058*	0.85 (3)
H24B	0.2432	−0.3930	0.2821	0.058*	0.85 (3)
H24C	0.2268	−0.3559	0.2018	0.058*	0.85 (3)
C10'	0.3139 (5)	0.5649 (11)	0.4642 (9)	0.0346 (8)	0.36 (2)
H10D	0.3521	0.5689	0.4749	0.052*	0.36 (2)
H10E	0.2997	0.6365	0.4817	0.052*	0.36 (2)
H10F	0.3013	0.5596	0.4136	0.052*	0.36 (2)
C11'	0.3096 (7)	0.341 (2)	0.4596 (13)	0.0346 (8)	0.36 (2)
H11D	0.2862	0.2743	0.4637	0.052*	0.36 (2)
H11E	0.3457	0.3171	0.4787	0.052*	0.36 (2)
H11F	0.3059	0.3619	0.4104	0.052*	0.36 (2)
C12'	0.3191 (5)	0.4493 (16)	0.5762 (6)	0.0346 (8)	0.36 (2)
H12D	0.3041	0.3847	0.5992	0.052*	0.36 (2)
H12E	0.3122	0.5254	0.5968	0.052*	0.36 (2)
H12F	0.3569	0.4376	0.5826	0.052*	0.36 (2)
C22'	0.238 (3)	−0.164 (8)	0.296 (3)	0.0257 (16)	0.15 (3)
H22D	0.2245	−0.0978	0.3195	0.039*	0.15 (3)
H22E	0.2533	−0.1330	0.2580	0.039*	0.15 (3)
H22F	0.2647	−0.2066	0.3294	0.039*	0.15 (3)
C23'	0.173 (2)	−0.307 (5)	0.326 (2)	0.0387 (18)	0.15 (3)
H23D	0.1353	−0.2925	0.3199	0.058*	0.15 (3)
H23E	0.1909	−0.2715	0.3704	0.058*	0.15 (3)
H23F	0.1796	−0.3922	0.3267	0.058*	0.15 (3)
C24'	0.2222 (15)	−0.338 (4)	0.226 (2)	0.039 (2)	0.15 (3)
H24D	0.2303	−0.2990	0.1850	0.058*	0.15 (3)
H24E	0.1999	−0.4073	0.2113	0.058*	0.15 (3)
H24F	0.2546	−0.3641	0.2570	0.058*	0.15 (3)

	U11	U22	U33	U12	U13	U23
Zn1	0.0133 (2)	0.0072 (2)	0.0128 (2)	0.000	0.00121 (17)	0.000
Zn2	0.01415 (15)	0.01061 (16)	0.00943 (15)	−0.00041 (12)	0.00094 (12)	−0.00046 (12)
Zn3	0.01343 (15)	0.01206 (17)	0.01123 (15)	−0.00074 (12)	−0.00054 (12)	−0.00065 (12)
O1	0.0153 (10)	0.0158 (10)	0.0149 (9)	−0.0012 (8)	−0.0016 (8)	−0.0011 (8)
O2	0.0185 (10)	0.0297 (12)	0.0123 (9)	−0.0010 (9)	0.0016 (8)	−0.0072 (8)
O3	0.0161 (10)	0.0217 (11)	0.0154 (9)	0.0052 (8)	0.0027 (8)	0.0017 (8)
O4	0.0153 (9)	0.0236 (11)	0.0126 (9)	0.0032 (8)	0.0008 (8)	−0.0054 (8)
O5	0.0270 (11)	0.0097 (10)	0.0218 (10)	0.0020 (8)	−0.0043 (9)	−0.0026 (8)
O6	0.0199 (10)	0.0126 (10)	0.0211 (10)	0.0022 (8)	−0.0037 (8)	0.0017 (8)
O7	0.0282 (11)	0.0104 (10)	0.0216 (10)	−0.0023 (8)	−0.0029 (9)	0.0005 (8)
O8	0.0192 (10)	0.0189 (11)	0.0156 (9)	−0.0038 (8)	−0.0048 (8)	0.0006 (8)
O9	0.0143 (9)	0.0083 (10)	0.0123 (9)	0.0004 (8)	0.0023 (7)	−0.0015 (8)
N1	0.0169 (16)	0.0092 (16)	0.0153 (16)	0.000	0.0042 (13)	0.000
N2	0.0146 (15)	0.0115 (16)	0.0145 (15)	0.000	0.0047 (13)	0.000
C1	0.0157 (13)	0.0130 (14)	0.0138 (13)	−0.0014 (11)	−0.0001 (11)	0.0002 (11)
C2	0.0138 (13)	0.0139 (14)	0.0146 (13)	0.0017 (11)	0.0015 (11)	0.0010 (11)
C3	0.0170 (14)	0.0157 (15)	0.0134 (13)	0.0002 (11)	0.0034 (11)	0.0011 (11)
C4	0.0183 (14)	0.0246 (16)	0.0119 (13)	−0.0028 (12)	−0.0018 (11)	−0.0047 (12)
C5	0.0120 (13)	0.0268 (17)	0.0183 (14)	−0.0006 (12)	0.0024 (11)	−0.0057 (12)
C6	0.0187 (14)	0.0213 (16)	0.0151 (14)	0.0001 (12)	0.0063 (11)	−0.0042 (12)
C7	0.0208 (14)	0.0071 (13)	0.0126 (13)	−0.0007 (11)	0.0018 (11)	0.0006 (11)
C8	0.0149 (13)	0.0135 (14)	0.0157 (13)	−0.0064 (11)	0.0035 (11)	−0.0020 (11)
C9	0.0153 (15)	0.048 (2)	0.0260 (17)	−0.0003 (14)	0.0031 (13)	−0.0138 (15)
C13	0.0174 (14)	0.0112 (14)	0.0145 (13)	0.0013 (11)	0.0036 (11)	0.0020 (11)
C14	0.0147 (13)	0.0149 (14)	0.0145 (13)	0.0018 (11)	0.0004 (11)	0.0033 (11)
C15	0.0139 (13)	0.0140 (15)	0.0134 (13)	−0.0012 (11)	0.0023 (11)	−0.0006 (11)
C16	0.0175 (13)	0.0094 (14)	0.0152 (13)	0.0014 (11)	0.0023 (11)	−0.0006 (11)
C17	0.0135 (13)	0.0132 (14)	0.0157 (13)	0.0000 (11)	0.0003 (11)	0.0010 (11)
C18	0.0162 (13)	0.0130 (14)	0.0177 (14)	−0.0015 (11)	−0.0015 (11)	−0.0028 (11)
C19	0.0172 (14)	0.0109 (14)	0.0153 (13)	0.0015 (11)	0.0051 (11)	0.0014 (11)
C20	0.0117 (13)	0.0162 (16)	0.0152 (13)	0.0007 (11)	−0.0002 (11)	0.0006 (12)
C21	0.0160 (14)	0.0148 (14)	0.0205 (14)	0.0009 (12)	−0.0072 (12)	0.0000 (12)
C25	0.0197 (14)	0.0133 (15)	0.0179 (14)	0.0001 (11)	0.0006 (12)	0.0012 (12)
C26	0.0207 (14)	0.0139 (15)	0.0196 (14)	−0.0019 (12)	0.0026 (12)	−0.0039 (12)
C27	0.0147 (19)	0.011 (2)	0.023 (2)	0.000	0.0079 (16)	0.000
C28	0.0143 (18)	0.011 (2)	0.0179 (19)	0.000	0.0076 (16)	0.000
C29	0.0216 (15)	0.0128 (15)	0.0254 (16)	0.0015 (12)	−0.0033 (13)	0.0031 (12)
C30	0.0200 (15)	0.0143 (15)	0.0222 (15)	−0.0014 (12)	−0.0034 (12)	−0.0008 (12)
C10	0.0152 (15)	0.0541 (19)	0.0319 (15)	−0.0008 (13)	−0.0013 (13)	−0.0144 (15)
C11	0.0152 (15)	0.0541 (19)	0.0319 (15)	−0.0008 (13)	−0.0013 (13)	−0.0144 (15)
C12	0.0152 (15)	0.0541 (19)	0.0319 (15)	−0.0008 (13)	−0.0013 (13)	−0.0144 (15)
C22	0.0210 (16)	0.0226 (18)	0.028 (4)	−0.0050 (14)	−0.008 (3)	0.004 (3)
C23	0.030 (2)	0.047 (5)	0.034 (2)	0.000 (4)	−0.0062 (17)	0.022 (3)
C24	0.036 (3)	0.020 (3)	0.047 (4)	0.013 (2)	−0.023 (2)	−0.006 (3)
C10'	0.0152 (15)	0.0541 (19)	0.0319 (15)	−0.0008 (13)	−0.0013 (13)	−0.0144 (15)
C11'	0.0152 (15)	0.0541 (19)	0.0319 (15)	−0.0008 (13)	−0.0013 (13)	−0.0144 (15)
C12'	0.0152 (15)	0.0541 (19)	0.0319 (15)	−0.0008 (13)	−0.0013 (13)	−0.0144 (15)
C22'	0.0210 (16)	0.0226 (18)	0.028 (4)	−0.0050 (14)	−0.008 (3)	0.004 (3)
C23'	0.030 (2)	0.047 (5)	0.034 (2)	0.000 (4)	−0.0062 (17)	0.022 (3)
C24'	0.036 (3)	0.020 (3)	0.047 (4)	0.013 (2)	−0.023 (2)	−0.006 (3)

Zn1—N2i	2.088 (3)	C16—H16A	0.9500
Zn1—N1	2.088 (3)	C17—C18	1.395 (4)
Zn1—O1	2.1323 (16)	C17—C21	1.533 (3)
Zn1—O1ii	2.1323 (16)	C18—H18A	0.9500
Zn1—O9ii	2.1947 (18)	C21—C24	1.523 (5)
Zn1—O9	2.1947 (18)	C21—C22	1.523 (5)
Zn2—O2	1.9136 (17)	C21—C23'	1.54 (2)
Zn2—O5	1.9398 (18)	C21—C22'	1.54 (2)
Zn2—O4iii	1.9539 (18)	C21—C23	1.545 (6)
Zn2—O9	1.9992 (16)	C21—C24'	1.564 (19)
Zn2—Zn3	2.9223 (4)	C25—C26	1.368 (4)
Zn3—O8iv	1.8764 (17)	C25—H25A	0.9500
Zn3—O3iii	1.9609 (19)	C26—C27	1.390 (3)
Zn3—O9	1.9893 (17)	C26—H26A	0.9500
Zn3—O6	2.0022 (17)	C27—C26ii	1.390 (3)
O1—C7	1.251 (3)	C27—C28	1.470 (5)
O2—C7	1.270 (3)	C28—C29	1.391 (3)
O3—C8	1.258 (3)	C28—C29ii	1.391 (3)
O3—Zn3v	1.9609 (19)	C29—C30	1.369 (4)
O4—C8	1.266 (3)	C29—H29A	0.9500
O4—Zn2v	1.9539 (18)	C30—H30A	0.9500
O5—C19	1.276 (3)	C10—H10A	0.9800
O6—C19	1.260 (3)	C10—H10B	0.9800
O7—C20	1.226 (3)	C10—H10C	0.9800
O8—C20	1.290 (3)	C11—H11A	0.9800
O8—Zn3iv	1.8764 (17)	C11—H11B	0.9800
O9—H9	0.838 (10)	C11—H11C	0.9800
N1—C25	1.345 (3)	C12—H12A	0.9800
N1—C25ii	1.345 (3)	C12—H12B	0.9800
N2—C30ii	1.340 (3)	C12—H12C	0.9800
N2—C30	1.340 (3)	C22—H22A	0.9800
N2—Zn1vi	2.088 (3)	C22—H22B	0.9800
C1—C2	1.377 (4)	C22—H22C	0.9800
C1—C6	1.397 (4)	C23—H23A	0.9800
C1—C7	1.499 (3)	C23—H23B	0.9800
C2—C3	1.390 (3)	C23—H23C	0.9800
C2—H2A	0.9500	C24—H24A	0.9800
C3—C4	1.392 (4)	C24—H24B	0.9800
C3—C8	1.478 (4)	C24—H24C	0.9800
C4—C5	1.384 (4)	C10'—H10D	0.9800
C4—H4A	0.9500	C10'—H10E	0.9800
C5—C6	1.391 (3)	C10'—H10F	0.9800
C5—C9	1.538 (4)	C11'—H11D	0.9800
C6—H6A	0.9500	C11'—H11E	0.9800
C9—C10	1.482 (7)	C11'—H11F	0.9800
C9—C12'	1.482 (12)	C12'—H12D	0.9800
C9—C11	1.503 (10)	C12'—H12E	0.9800
C9—C11'	1.559 (16)	C12'—H12F	0.9800
C9—C12	1.573 (8)	C22'—H22D	0.9800
C9—C10'	1.611 (12)	C22'—H22E	0.9800
C13—C18	1.390 (3)	C22'—H22F	0.9800
C13—C14	1.394 (3)	C23'—H23D	0.9800
C13—C19	1.485 (3)	C23'—H23E	0.9800
C14—C15	1.377 (4)	C23'—H23F	0.9800
C14—H14A	0.9500	C24'—H24D	0.9800
C15—C16	1.396 (3)	C24'—H24E	0.9800
C15—C20	1.508 (3)	C24'—H24F	0.9800
C16—C17	1.395 (3)
N2i—Zn1—N1	180.0	C17—C16—C15	121.0 (2)
N2i—Zn1—O1	91.42 (5)	C17—C16—H16A	119.5
N1—Zn1—O1	88.58 (5)	C15—C16—H16A	119.5
N2i—Zn1—O1ii	91.42 (5)	C16—C17—C18	117.8 (2)
N1—Zn1—O1ii	88.58 (5)	C16—C17—C21	120.8 (2)
O1—Zn1—O1ii	177.16 (10)	C18—C17—C21	121.4 (2)
N2i—Zn1—O9ii	89.19 (5)	C13—C18—C17	121.7 (2)
N1—Zn1—O9ii	90.81 (5)	C13—C18—H18A	119.2
O1—Zn1—O9ii	87.82 (6)	C17—C18—H18A	119.2
O1ii—Zn1—O9ii	92.22 (6)	O6—C19—O5	124.0 (2)
N2i—Zn1—O9	89.19 (5)	O6—C19—C13	118.5 (2)
N1—Zn1—O9	90.81 (5)	O5—C19—C13	117.4 (2)
O1—Zn1—O9	92.22 (6)	O7—C20—O8	126.4 (2)
O1ii—Zn1—O9	87.82 (6)	O7—C20—C15	120.8 (2)
O9ii—Zn1—O9	178.38 (10)	O8—C20—C15	112.8 (2)
O2—Zn2—O5	104.87 (8)	C24—C21—C22	108.6 (8)
O2—Zn2—O4iii	110.89 (8)	C24—C21—C17	112.6 (3)
O5—Zn2—O4iii	111.02 (8)	C22—C21—C17	110.4 (6)
O2—Zn2—O9	117.59 (8)	C24—C21—C23'	92.6 (19)
O5—Zn2—O9	111.42 (8)	C22—C21—C23'	119 (2)
O4iii—Zn2—O9	101.18 (7)	C17—C21—C23'	112 (2)
O2—Zn2—Zn3	159.36 (6)	C24—C21—C22'	111 (4)
O5—Zn2—Zn3	82.50 (5)	C17—C21—C22'	117 (3)
O4iii—Zn2—Zn3	83.33 (5)	C23'—C21—C22'	109 (3)
O9—Zn2—Zn3	42.76 (5)	C24—C21—C23	108.9 (3)
O8iv—Zn3—O3iii	112.44 (8)	C22—C21—C23	109.0 (5)
O8iv—Zn3—O9	132.46 (8)	C17—C21—C23	107.3 (3)
O3iii—Zn3—O9	101.90 (7)	C22'—C21—C23	99 (3)
O8iv—Zn3—O6	99.38 (7)	C22—C21—C24'	95.3 (18)
O3iii—Zn3—O6	102.14 (8)	C17—C21—C24'	104.2 (15)
O9—Zn3—O6	104.54 (7)	C23'—C21—C24'	113 (2)
O8iv—Zn3—Zn2	171.76 (6)	C22'—C21—C24'	100 (4)
O3iii—Zn3—Zn2	75.75 (5)	C23—C21—C24'	129.5 (17)
O9—Zn3—Zn2	43.02 (5)	N1—C25—C26	123.4 (2)
O6—Zn3—Zn2	77.40 (5)	N1—C25—H25A	118.3
C7—O1—Zn1	146.93 (18)	C26—C25—H25A	118.3
C7—O2—Zn2	120.80 (16)	C25—C26—C27	120.0 (3)
C8—O3—Zn3v	129.98 (17)	C25—C26—H26A	120.0
C8—O4—Zn2v	121.73 (16)	C27—C26—H26A	120.0
C19—O5—Zn2	125.86 (16)	C26ii—C27—C26	116.8 (3)
C19—O6—Zn3	129.49 (16)	C26ii—C27—C28	121.62 (17)
C20—O8—Zn3iv	128.72 (17)	C26—C27—C28	121.62 (17)
Zn3—O9—Zn2	94.23 (7)	C29—C28—C29ii	115.9 (3)
Zn3—O9—Zn1	133.63 (9)	C29—C28—C27	122.07 (17)
Zn2—O9—Zn1	109.25 (7)	C29ii—C28—C27	122.07 (17)
Zn3—O9—H9	106 (2)	C30—C29—C28	120.5 (3)
Zn2—O9—H9	105 (2)	C30—C29—H29A	119.8
Zn1—O9—H9	106 (3)	C28—C29—H29A	119.8
C25—N1—C25ii	116.6 (3)	N2—C30—C29	123.3 (2)
C25—N1—Zn1	121.72 (16)	N2—C30—H30A	118.4
C25ii—N1—Zn1	121.72 (16)	C29—C30—H30A	118.4
C30ii—N2—C30	116.6 (3)	C9—C10—H10A	109.5
C30ii—N2—Zn1vi	121.70 (16)	C9—C10—H10B	109.5
C30—N2—Zn1vi	121.70 (16)	C9—C10—H10C	109.5
C2—C1—C6	120.0 (2)	C9—C11—H11A	109.5
C2—C1—C7	119.6 (2)	C9—C11—H11B	109.5
C6—C1—C7	120.4 (2)	C9—C11—H11C	109.5
C1—C2—C3	119.8 (2)	C9—C12—H12A	109.5
C1—C2—H2A	120.1	C9—C12—H12B	109.5
C3—C2—H2A	120.1	C9—C12—H12C	109.5
C4—C3—C2	119.4 (2)	C21—C22—H22A	109.5
C4—C3—C8	121.7 (2)	C21—C22—H22B	109.5
C2—C3—C8	118.8 (2)	C21—C22—H22C	109.5
C5—C4—C3	121.9 (2)	C21—C23—H23A	109.5
C5—C4—H4A	119.0	C21—C23—H23B	109.5
C3—C4—H4A	119.0	C21—C23—H23C	109.5
C4—C5—C6	117.5 (2)	C21—C24—H24A	109.5
C4—C5—C9	121.0 (2)	C21—C24—H24B	109.5
C6—C5—C9	121.4 (3)	C21—C24—H24C	109.5
C5—C6—C1	121.3 (3)	C9—C10'—H10D	109.5
C5—C6—H6A	119.4	C9—C10'—H10E	109.5
C1—C6—H6A	119.4	H10D—C10'—H10E	109.5
O1—C7—O2	125.0 (2)	C9—C10'—H10F	109.5
O1—C7—C1	118.4 (2)	H10D—C10'—H10F	109.5
O2—C7—C1	116.6 (2)	H10E—C10'—H10F	109.5
O3—C8—O4	125.6 (2)	C9—C11'—H11D	109.5
O3—C8—C3	116.5 (2)	C9—C11'—H11E	109.5
O4—C8—C3	117.9 (2)	H11D—C11'—H11E	109.5
C10—C9—C12'	93.3 (5)	C9—C11'—H11F	109.5
C10—C9—C11	111.1 (7)	H11D—C11'—H11F	109.5
C12'—C9—C11	111.2 (8)	H11E—C11'—H11F	109.5
C10—C9—C5	110.8 (4)	C9—C12'—H12D	109.5
C12'—C9—C5	115.1 (6)	C9—C12'—H12E	109.5
C11—C9—C5	113.5 (4)	H12D—C12'—H12E	109.5
C10—C9—C11'	115.2 (11)	C9—C12'—H12F	109.5
C12'—C9—C11'	114.7 (11)	H12D—C12'—H12F	109.5
C5—C9—C11'	107.3 (7)	H12E—C12'—H12F	109.5
C10—C9—C12	109.8 (3)	C21—C22'—H22D	109.5
C11—C9—C12	102.8 (7)	C21—C22'—H22E	109.5
C5—C9—C12	108.4 (4)	H22D—C22'—H22E	109.5
C11'—C9—C12	104.9 (11)	C21—C22'—H22F	109.5
C12'—C9—C10'	110.0 (5)	H22D—C22'—H22F	109.5
C11—C9—C10'	103.2 (8)	H22E—C22'—H22F	109.5
C5—C9—C10'	102.7 (5)	C21—C23'—H23D	109.5
C11'—C9—C10'	105.9 (12)	C21—C23'—H23E	109.5
C12—C9—C10'	126.5 (5)	H23D—C23'—H23E	109.5
C18—C13—C14	119.4 (2)	C21—C23'—H23F	109.5
C18—C13—C19	120.7 (2)	H23D—C23'—H23F	109.5
C14—C13—C19	119.9 (2)	H23E—C23'—H23F	109.5
C15—C14—C13	119.9 (2)	C21—C24'—H24D	109.5
C15—C14—H14A	120.0	C21—C24'—H24E	109.5
C13—C14—H14A	120.0	H24D—C24'—H24E	109.5
C14—C15—C16	120.2 (2)	C21—C24'—H24F	109.5
C14—C15—C20	120.0 (2)	H24D—C24'—H24F	109.5
C16—C15—C20	119.7 (2)	H24E—C24'—H24F	109.5

D—H···A	D—H	H···A	D···A	D—H···A
O9—H9···O7vi	0.84 (1)	2.04 (2)	2.783 (3)	148 (3)

Table 1

Hydrogen-bond geometry (Å, °)

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
O9—H9⋯O7i	0.838 (10)	2.04 (2)	2.783 (3)	148 (3)

Symmetry code: (i) .