Poly[bis-(μ4-2,3,5,6-tetra-fluoro-benzene-1,4-di-carboxyl-ato-κ(4) O (1):O (1'):O (4):O (4'))bis-(tetra-hydro-furan-κO)dizinc].

The title compound, [Zn2(C8F4O4)2(C4H8O)2] n , has a three-dimensional metal-organic framework structure. The asymmetric unit consists of two Zn(II) atoms, two tetrahydrofuran ligands, one 2,3,5,6-tetra-fluoro-benzene-1,4-di-carboxyl-ate ligand and two half 2,3,5,6-tetra-fluoro-benzene-1,4-di-carboxyl-ate ligands, which are completed by inversion symmetry. One Zn(II) atom has a distorted trigonal-bipyramidal coordination geometry, while the other has a distorted octa-hedral geometry. Two independent tetra-hydro-furan ligands are each disordered over two sets of sites with occupancy ratios of 0.48 (4):0.52 (4) and 0.469 (17):0.531 (17).

Related literature

For general background of compounds with metal-organic framework structures, see: Yoon et al. (2007 ▶). For related crystal structures, see: Hulvey et al. (2011 ▶); Seidel et al. (2011 ▶); Yoon et al. (2007 ▶); Yu et al. (2011 ▶); Zheng et al. (2008 ▶).

Experimental

Crystal data

[Zn2(C8F4O4)2(C4H8O)2]

M = 747.11

Monoclinic,

a = 11.9339 (8) Å

b = 12.4369 (9) Å

c = 17.9627 (12) Å

β = 104.051 (1)°

V = 2586.3 (3) Å3

Z = 4

Mo Kα radiation

μ = 1.97 mm−1

T = 173 K

0.10 × 0.05 × 0.05 mm

Data collection

SMART APEX CCD diffractometer

Absorption correction: multi-scan (SADABS; Sheldrick, 2003 ▶) T min = 0.827, T max = 0.908

16096 measured reflections

5980 independent reflections

2859 reflections with I > 2σ(I)

R int = 0.111

Refinement

R[F 2 > 2σ(F 2)] = 0.053

wR(F 2) = 0.139

S = 0.94

5980 reflections

444 parameters

81 restraints

H-atom parameters constrained

Δρmax = 0.66 e Å−3

Δρmin = −0.78 e Å−3

Data collection: SMART (Bruker, 2007 ▶); cell refinement: SAINT (Bruker, 2007 ▶); data reduction: SAINT; program(s) used to solve structure: SHELXTL (Sheldrick, 2008 ▶); program(s) used to refine structure: SHELXTL; molecular graphics: SHELXTL; software used to prepare material for publication: publCIF (Westrip, 2010 ▶).

Crystal structure: contains datablock(s) global, I. DOI: 10.1107/S1600536813031887/is5307sup1.cif

Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536813031887/is5307Isup2.hkl

Additional supporting information: crystallographic information; 3D view; checkCIF report

[Zn2(C8F4O4)2(C4H8O)2]	F(000) = 1488
Mr = 747.11	Dx = 1.919 Mg m−3
Monoclinic, P21/n	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2yn	Cell parameters from 2025 reflections
a = 11.9339 (8) Å	θ = 2.3–27.0°
b = 12.4369 (9) Å	µ = 1.97 mm−1
c = 17.9627 (12) Å	T = 173 K
β = 104.051 (1)°	Needle, colorless
V = 2586.3 (3) Å3	0.10 × 0.05 × 0.05 mm
Z = 4

SMART APEX CCD diffractometer	5980 independent reflections
Radiation source: fine-focus sealed tube	2859 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.111
phi and ω scans	θmax = 27.9°, θmin = 1.9°
Absorption correction: multi-scan (SADABS; Sheldrick, 2003)	h = −15→14
Tmin = 0.827, Tmax = 0.908	k = −16→13
16096 measured reflections	l = −23→23

Refinement on F2	81 restraints
Least-squares matrix: full	H-atom parameters constrained
R[F2 > 2σ(F2)] = 0.053	w = 1/[σ2(Fo2) + (0.0519P)2] where P = (Fo2 + 2Fc2)/3
wR(F2) = 0.139	(Δ/σ)max < 0.001
S = 0.94	Δρmax = 0.66 e Å−3
5980 reflections	Δρmin = −0.78 e Å−3
444 parameters

Geometry. 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 > 2sigma(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	0.95391 (6)	0.25834 (6)	0.23174 (4)	0.0190 (2)
Zn2	0.74360 (6)	0.06295 (6)	0.22126 (4)	0.0197 (2)
F1	0.7946 (3)	0.3132 (4)	−0.0193 (2)	0.0360 (11)
F2	0.6468 (3)	0.3797 (4)	−0.14747 (19)	0.0380 (11)
F3	0.3476 (3)	0.3893 (3)	−0.0176 (2)	0.0343 (10)
F4	0.4890 (3)	0.3084 (3)	0.1070 (2)	0.0350 (11)
F5	0.3829 (3)	0.0673 (3)	0.10356 (19)	0.0319 (10)
F6	0.3318 (3)	0.1509 (3)	−0.0385 (2)	0.0314 (10)
F7	1.1600 (3)	−0.0283 (3)	0.1343 (2)	0.0380 (11)
F8	1.2137 (3)	−0.0770 (3)	0.0024 (2)	0.0363 (11)
O1	0.6808 (4)	0.1774 (4)	0.1436 (2)	0.0294 (12)
O2	0.8233 (3)	0.2972 (4)	0.1440 (2)	0.0231 (11)
O3	0.3584 (4)	0.5058 (4)	−0.1657 (2)	0.0315 (12)
O4	0.3716 (3)	0.3404 (4)	−0.2065 (2)	0.0211 (10)
O5	0.6454 (3)	−0.0690 (4)	0.2015 (2)	0.0236 (11)
O6	0.4829 (3)	−0.1595 (4)	0.1690 (2)	0.0217 (10)
O7	0.8535 (4)	0.0103 (4)	0.1569 (2)	0.0308 (12)
O8	1.0048 (4)	0.1237 (4)	0.1836 (2)	0.0264 (11)
C1	0.6473 (5)	0.3081 (5)	0.0487 (3)	0.0188 (14)
C2	0.6838 (5)	0.3309 (6)	−0.0176 (3)	0.0222 (16)
C3	0.6081 (5)	0.3672 (5)	−0.0829 (3)	0.0223 (15)
C4	0.4933 (5)	0.3872 (5)	−0.0855 (3)	0.0215 (15)
C5	0.4593 (5)	0.3698 (5)	−0.0191 (4)	0.0209 (15)
C6	0.5307 (5)	0.3282 (5)	0.0456 (3)	0.0208 (15)
C7	0.7248 (5)	0.2574 (6)	0.1181 (3)	0.0203 (15)
C8	0.4033 (6)	0.4161 (5)	−0.1576 (4)	0.0224 (16)
C9	0.5536 (5)	−0.0941 (5)	0.1541 (3)	0.0187 (15)
C10	0.5264 (5)	−0.0450 (5)	0.0742 (3)	0.0197 (15)
C11	0.4409 (5)	0.0323 (5)	0.0528 (3)	0.0195 (15)
C12	0.4157 (5)	0.0753 (5)	−0.0206 (3)	0.0171 (14)
C13	0.9406 (6)	0.0548 (6)	0.1450 (4)	0.0255 (16)
C14	0.9707 (6)	0.0254 (5)	0.0699 (4)	0.0233 (16)
C15	1.0804 (5)	−0.0119 (6)	0.0676 (3)	0.0236 (16)
C16	1.1077 (6)	−0.0371 (6)	0.0006 (4)	0.0256 (16)
O9	0.6305 (4)	0.1245 (4)	0.2867 (3)	0.0305 (12)
O10	1.0752 (4)	0.3383 (4)	0.1859 (2)	0.0315 (12)
C17	0.5732 (8)	0.0626 (7)	0.3327 (5)	0.062 (3)
H17A	0.6241	0.0039	0.3585	0.075*	0.48 (4)
H17B	0.5020	0.0304	0.3004	0.075*	0.48 (4)
H17C	0.6299	0.0316	0.3771	0.075*	0.52 (4)
H17D	0.5294	0.0031	0.3023	0.075*	0.52 (4)
C18	0.544 (3)	0.1357 (7)	0.3906 (13)	0.046 (8)	0.48 (4)
H18A	0.6024	0.1297	0.4401	0.055*	0.48 (4)
H18B	0.4673	0.1178	0.3990	0.055*	0.48 (4)
C21	0.4935 (15)	0.1368 (7)	0.3593 (17)	0.044 (6)	0.52 (4)
H21A	0.4879	0.1175	0.4117	0.053*	0.52 (4)
H21B	0.4153	0.1338	0.3245	0.053*	0.52 (4)
C19	0.5440 (8)	0.2459 (7)	0.3585 (5)	0.065 (3)
H19A	0.5796	0.2976	0.3993	0.078*	0.48 (4)
H19B	0.4641	0.2696	0.3348	0.078*	0.48 (4)
H19C	0.5939	0.2643	0.4095	0.078*	0.52 (4)
H19D	0.4826	0.3009	0.3440	0.078*	0.52 (4)
C20	0.6139 (7)	0.2383 (6)	0.2990 (5)	0.046 (2)
H20A	0.5722	0.2730	0.2506	0.055*
H20B	0.6894	0.2746	0.3175	0.055*
C22	1.0721 (13)	0.337 (3)	0.1044 (4)	0.036 (13)	0.531 (17)
H22A	1.0110	0.3858	0.0757	0.044*	0.531 (17)
H22B	1.0571	0.2637	0.0832	0.044*	0.531 (17)
C23	1.1889 (11)	0.3754 (18)	0.0989 (8)	0.059 (6)	0.531 (17)
H23A	1.2177	0.3313	0.0615	0.071*	0.531 (17)
H23B	1.1854	0.4514	0.0822	0.071*	0.531 (17)
C24	1.2664 (13)	0.3637 (18)	0.1776 (7)	0.057 (6)	0.531 (17)
H24A	1.3007	0.4340	0.1964	0.069*	0.531 (17)
H24B	1.3298	0.3127	0.1767	0.069*	0.531 (17)
C25	1.1943 (7)	0.3222 (17)	0.2292 (8)	0.044 (5)	0.531 (17)
H25A	1.2099	0.2450	0.2408	0.053*	0.531 (17)
H25B	1.2102	0.3629	0.2780	0.053*	0.531 (17)
C26	1.1923 (7)	0.3668 (15)	0.2270 (8)	0.028 (5)	0.469 (17)
H26A	1.2082	0.3472	0.2820	0.034*	0.469 (17)
H26B	1.2085	0.4441	0.2219	0.034*	0.469 (17)
C27	1.2578 (19)	0.297 (2)	0.1839 (9)	0.085 (8)	0.469 (17)
H27A	1.3343	0.3295	0.1862	0.102*	0.469 (17)
H27B	1.2702	0.2253	0.2082	0.102*	0.469 (17)
C28	1.1923 (13)	0.2859 (18)	0.1020 (9)	0.050 (6)	0.469 (17)
H28A	1.1890	0.2100	0.0849	0.060*	0.469 (17)
H28B	1.2265	0.3305	0.0675	0.060*	0.469 (17)
C29	1.0754 (15)	0.326 (3)	0.1053 (5)	0.046 (18)	0.469 (17)
H29A	1.0597	0.3965	0.0786	0.056*	0.469 (17)
H29B	1.0149	0.2749	0.0799	0.056*	0.469 (17)

	U11	U22	U33	U12	U13	U23
Zn1	0.0188 (4)	0.0257 (5)	0.0107 (3)	−0.0033 (3)	0.0004 (3)	−0.0011 (4)
Zn2	0.0196 (4)	0.0255 (5)	0.0122 (4)	0.0005 (4)	0.0004 (3)	−0.0040 (4)
F1	0.017 (2)	0.068 (3)	0.022 (2)	0.012 (2)	0.0021 (17)	0.008 (2)
F2	0.034 (2)	0.067 (3)	0.0146 (19)	0.015 (2)	0.0089 (18)	0.004 (2)
F3	0.017 (2)	0.058 (3)	0.026 (2)	0.006 (2)	0.0027 (17)	0.009 (2)
F4	0.026 (2)	0.061 (3)	0.018 (2)	0.012 (2)	0.0071 (18)	0.003 (2)
F5	0.035 (2)	0.047 (3)	0.0158 (18)	0.0017 (19)	0.0109 (17)	0.012 (2)
F6	0.038 (2)	0.034 (3)	0.021 (2)	0.0058 (18)	0.0038 (18)	0.0145 (19)
F7	0.033 (2)	0.059 (3)	0.019 (2)	−0.002 (2)	0.0005 (18)	0.010 (2)
F8	0.022 (2)	0.057 (3)	0.029 (2)	−0.005 (2)	0.0049 (18)	0.009 (2)
O1	0.022 (3)	0.036 (3)	0.025 (3)	0.007 (2)	−0.003 (2)	−0.006 (2)
O2	0.019 (2)	0.031 (3)	0.013 (2)	0.003 (2)	−0.0070 (19)	−0.002 (2)
O3	0.041 (3)	0.026 (3)	0.023 (3)	−0.001 (2)	0.001 (2)	0.008 (2)
O4	0.021 (2)	0.030 (3)	0.011 (2)	0.002 (2)	0.0017 (19)	0.001 (2)
O5	0.025 (2)	0.027 (3)	0.013 (2)	0.003 (2)	−0.0051 (19)	−0.007 (2)
O6	0.023 (2)	0.026 (3)	0.016 (2)	0.006 (2)	0.0026 (19)	−0.005 (2)
O7	0.032 (3)	0.039 (3)	0.026 (3)	−0.010 (2)	0.016 (2)	−0.012 (2)
O8	0.025 (3)	0.032 (3)	0.022 (2)	−0.014 (2)	0.007 (2)	−0.005 (2)
C1	0.018 (3)	0.025 (4)	0.012 (3)	0.001 (3)	0.000 (3)	0.001 (3)
C2	0.018 (3)	0.033 (4)	0.013 (3)	−0.002 (3)	0.001 (3)	0.000 (3)
C3	0.026 (4)	0.028 (4)	0.011 (3)	−0.002 (3)	0.003 (3)	−0.006 (3)
C4	0.025 (4)	0.023 (4)	0.016 (3)	−0.004 (3)	0.003 (3)	0.005 (3)
C5	0.017 (3)	0.023 (4)	0.020 (3)	−0.002 (3)	0.000 (3)	0.004 (3)
C6	0.018 (3)	0.032 (4)	0.010 (3)	0.002 (3)	−0.003 (3)	0.001 (3)
C7	0.019 (3)	0.029 (4)	0.012 (3)	−0.002 (3)	0.003 (3)	0.004 (3)
C8	0.030 (4)	0.019 (4)	0.017 (3)	−0.005 (3)	0.003 (3)	−0.003 (3)
C9	0.025 (4)	0.016 (4)	0.013 (3)	0.000 (3)	0.001 (3)	0.000 (3)
C10	0.017 (3)	0.026 (4)	0.014 (3)	−0.001 (3)	0.000 (3)	−0.002 (3)
C11	0.022 (3)	0.021 (4)	0.014 (3)	0.000 (3)	0.003 (3)	0.003 (3)
C12	0.013 (3)	0.019 (4)	0.016 (3)	−0.002 (3)	−0.002 (3)	0.004 (3)
C13	0.031 (4)	0.025 (4)	0.023 (4)	−0.005 (3)	0.012 (3)	0.001 (3)
C14	0.028 (4)	0.021 (4)	0.020 (3)	−0.003 (3)	0.006 (3)	0.001 (3)
C15	0.024 (4)	0.028 (4)	0.016 (3)	−0.001 (3)	0.001 (3)	0.002 (3)
C16	0.025 (4)	0.031 (5)	0.022 (4)	−0.006 (3)	0.007 (3)	0.003 (3)
O9	0.031 (3)	0.026 (3)	0.040 (3)	−0.002 (2)	0.019 (2)	−0.002 (2)
O10	0.024 (3)	0.045 (3)	0.025 (3)	−0.010 (2)	0.007 (2)	−0.009 (2)
C17	0.078 (7)	0.047 (6)	0.084 (7)	0.001 (5)	0.061 (6)	−0.003 (5)
C18	0.062 (18)	0.048 (13)	0.038 (12)	0.003 (9)	0.031 (13)	−0.006 (10)
C21	0.045 (6)	0.045 (6)	0.045 (6)	−0.001 (2)	0.012 (2)	−0.001 (2)
C19	0.086 (7)	0.050 (7)	0.073 (6)	−0.008 (6)	0.046 (6)	−0.003 (6)
C20	0.059 (5)	0.030 (5)	0.055 (5)	−0.003 (4)	0.026 (4)	0.008 (4)
C22	0.037 (13)	0.037 (13)	0.036 (13)	0.000 (2)	0.011 (4)	−0.001 (2)
C23	0.059 (6)	0.061 (6)	0.059 (6)	0.001 (2)	0.017 (2)	−0.001 (2)
C24	0.056 (6)	0.059 (6)	0.058 (6)	0.002 (2)	0.016 (2)	0.000 (2)
C25	0.043 (5)	0.045 (5)	0.044 (5)	0.000 (2)	0.011 (2)	−0.001 (2)
C26	0.027 (5)	0.028 (5)	0.029 (5)	0.000 (2)	0.007 (2)	−0.001 (2)
C27	0.084 (9)	0.085 (9)	0.085 (9)	−0.001 (2)	0.021 (3)	0.001 (2)
C28	0.050 (6)	0.051 (6)	0.050 (6)	−0.001 (2)	0.014 (2)	0.001 (2)
C29	0.047 (18)	0.047 (18)	0.046 (18)	0.000 (2)	0.013 (5)	−0.001 (2)

Zn1—O2	1.988 (4)	O9—C20	1.454 (8)
Zn1—O6i	2.034 (4)	O10—C22	1.455 (6)
Zn1—O8	2.043 (4)	O10—C29	1.456 (6)
Zn1—O4ii	2.058 (4)	O10—C26	1.457 (6)
Zn1—O10	2.084 (4)	O10—C25	1.459 (6)
Zn2—O5	1.998 (4)	C17—C18	1.484 (9)
Zn2—O1	2.007 (5)	C17—C21	1.485 (9)
Zn2—O7	2.055 (4)	C17—H17A	0.9900
Zn2—O4ii	2.122 (4)	C17—H17B	0.9900
Zn2—O9	2.136 (4)	C17—H17C	0.9900
Zn2—O3ii	2.319 (4)	C17—H17D	0.9900
F1—C2	1.348 (7)	C18—C19	1.487 (9)
F2—C3	1.357 (7)	C18—H18A	0.9900
F3—C5	1.362 (7)	C18—H18B	0.9900
F4—C6	1.338 (7)	C21—C19	1.485 (9)
F5—C11	1.344 (7)	C21—H21A	0.9900
F6—C12	1.354 (7)	C21—H21B	0.9900
F7—C15	1.352 (6)	C19—C20	1.511 (10)
F8—C16	1.352 (7)	C19—H19A	0.9900
O1—C7	1.262 (7)	C19—H19B	0.9900
O2—C7	1.256 (7)	C19—H19C	0.9900
O3—C8	1.231 (7)	C19—H19D	0.9900
O4—C8	1.280 (7)	C20—H20A	0.9900
O5—C9	1.253 (7)	C20—H20B	0.9900
O6—C9	1.246 (7)	C22—C23	1.498 (8)
O7—C13	1.241 (7)	C22—H22A	0.9900
O8—C13	1.243 (7)	C22—H22B	0.9900
C1—C2	1.393 (8)	C23—C24	1.497 (8)
C1—C6	1.402 (8)	C23—H23A	0.9900
C1—C7	1.499 (8)	C23—H23B	0.9900
C2—C3	1.372 (8)	C24—C25	1.501 (8)
C3—C4	1.382 (8)	C24—H24A	0.9900
C4—C5	1.366 (8)	C24—H24B	0.9900
C4—C8	1.512 (8)	C25—H25A	0.9900
C5—C6	1.365 (8)	C25—H25B	0.9900
C9—C10	1.521 (8)	C26—C27	1.501 (8)
C10—C12iii	1.365 (8)	C26—H26A	0.9900
C10—C11	1.387 (8)	C26—H26B	0.9900
C11—C12	1.388 (8)	C27—C28	1.496 (8)
C12—C10iii	1.365 (8)	C27—H27A	0.9900
C13—C14	1.522 (8)	C27—H27B	0.9900
C14—C16iv	1.388 (8)	C28—C29	1.498 (8)
C14—C15	1.398 (8)	C28—H28A	0.9900
C15—C16	1.358 (8)	C28—H28B	0.9900
C16—C14iv	1.388 (8)	C29—H29A	0.9900
O9—C17	1.420 (9)	C29—H29B	0.9900
O2—Zn1—O6i	128.65 (18)	C25—O10—Zn1	113.8 (6)
O2—Zn1—O8	96.92 (18)	O9—C17—C18	107.7 (8)
O6i—Zn1—O8	134.23 (17)	O9—C17—C21	106.6 (9)
O2—Zn1—O4ii	100.81 (17)	O9—C17—H17A	110.2
O6i—Zn1—O4ii	87.19 (16)	C18—C17—H17A	110.2
O8—Zn1—O4ii	88.21 (18)	O9—C17—H17B	110.2
O2—Zn1—O10	93.25 (17)	C18—C17—H17B	110.2
O6i—Zn1—O10	87.80 (17)	H17A—C17—H17B	108.5
O8—Zn1—O10	85.27 (18)	O9—C17—H17C	110.4
O4ii—Zn1—O10	165.12 (17)	C21—C17—H17C	110.4
O5—Zn2—O1	110.81 (17)	O9—C17—H17D	110.4
O5—Zn2—O7	93.75 (18)	C21—C17—H17D	110.4
O1—Zn2—O7	90.97 (19)	H17C—C17—H17D	108.6
O5—Zn2—O4ii	151.45 (16)	C17—C18—C19	105.7 (9)
O1—Zn2—O4ii	96.62 (18)	C17—C18—H18A	110.6
O7—Zn2—O4ii	93.52 (16)	C19—C18—H18A	110.6
O5—Zn2—O9	88.31 (18)	C17—C18—H18B	110.6
O1—Zn2—O9	87.05 (18)	C19—C18—H18B	110.6
O7—Zn2—O9	177.55 (19)	H18A—C18—H18B	108.7
O4ii—Zn2—O9	85.28 (16)	C17—C21—C19	105.8 (9)
O5—Zn2—O3ii	92.81 (16)	C17—C21—H21A	110.6
O1—Zn2—O3ii	155.73 (18)	C19—C21—H21A	110.6
O7—Zn2—O3ii	93.03 (17)	C17—C21—H21B	110.6
O4ii—Zn2—O3ii	59.25 (17)	C19—C21—H21B	110.6
O9—Zn2—O3ii	88.19 (17)	H21A—C21—H21B	108.7
C7—O1—Zn2	133.9 (4)	C21—C19—C20	104.2 (9)
C7—O2—Zn1	132.9 (4)	C18—C19—C20	105.5 (8)
C8—O3—Zn2v	85.2 (4)	C18—C19—H19A	110.6
C8—O4—Zn1v	135.1 (4)	C20—C19—H19A	110.6
C8—O4—Zn2v	92.9 (4)	C18—C19—H19B	110.6
Zn1v—O4—Zn2v	112.04 (18)	C20—C19—H19B	110.6
C9—O5—Zn2	134.8 (4)	H19A—C19—H19B	108.8
C9—O6—Zn1vi	113.0 (4)	C21—C19—H19C	110.9
C13—O7—Zn2	129.1 (4)	C20—C19—H19C	110.9
C13—O8—Zn1	126.5 (4)	C21—C19—H19D	110.9
C2—C1—C6	116.3 (5)	C20—C19—H19D	110.9
C2—C1—C7	122.6 (5)	H19C—C19—H19D	108.9
C6—C1—C7	120.9 (5)	O9—C20—C19	106.7 (6)
F1—C2—C3	118.8 (5)	O9—C20—H20A	110.4
F1—C2—C1	119.8 (5)	C19—C20—H20A	110.4
C3—C2—C1	121.3 (6)	O9—C20—H20B	110.4
F2—C3—C2	118.5 (6)	C19—C20—H20B	110.4
F2—C3—C4	119.4 (5)	H20A—C20—H20B	108.6
C2—C3—C4	122.0 (6)	O10—C22—C23	105.5 (10)
C5—C4—C3	116.4 (6)	O10—C22—H22A	110.6
C5—C4—C8	119.1 (5)	C23—C22—H22A	110.6
C3—C4—C8	124.3 (6)	O10—C22—H22B	110.6
F3—C5—C4	119.2 (5)	C23—C22—H22B	110.6
F3—C5—C6	117.5 (6)	H22A—C22—H22B	108.8
C4—C5—C6	123.1 (6)	C24—C23—C22	106.1 (12)
F4—C6—C5	119.4 (5)	C24—C23—H23A	110.5
F4—C6—C1	119.9 (5)	C22—C23—H23A	110.5
C5—C6—C1	120.6 (6)	C24—C23—H23B	110.5
O2—C7—O1	127.7 (6)	C22—C23—H23B	110.5
O2—C7—C1	118.4 (6)	H23A—C23—H23B	108.7
O1—C7—C1	114.0 (5)	C23—C24—C25	107.5 (11)
O3—C8—O4	122.6 (6)	C23—C24—H24A	110.2
O3—C8—C4	121.0 (6)	C25—C24—H24A	110.2
O4—C8—C4	116.2 (6)	C23—C24—H24B	110.2
O6—C9—O5	122.8 (5)	C25—C24—H24B	110.2
O6—C9—C10	117.7 (5)	H24A—C24—H24B	108.5
O5—C9—C10	119.5 (6)	O10—C25—C24	104.7 (9)
C12iii—C10—C11	117.4 (6)	O10—C25—H25A	110.8
C12iii—C10—C9	121.7 (6)	C24—C25—H25A	110.8
C11—C10—C9	120.8 (6)	O10—C25—H25B	110.8
F5—C11—C12	119.5 (5)	C24—C25—H25B	110.8
F5—C11—C10	120.2 (5)	H25A—C25—H25B	108.9
C12—C11—C10	120.3 (6)	O10—C26—C27	98.8 (11)
F6—C12—C10iii	119.7 (5)	O10—C26—H26A	112.0
F6—C12—C11	118.1 (5)	C27—C26—H26A	112.0
C10iii—C12—C11	122.2 (6)	O10—C26—H26B	112.0
O7—C13—O8	129.8 (6)	C27—C26—H26B	112.0
O7—C13—C14	115.7 (6)	H26A—C26—H26B	109.7
O8—C13—C14	114.5 (6)	C28—C27—C26	110.3 (14)
C16iv—C14—C15	115.9 (6)	C28—C27—H27A	109.6
C16iv—C14—C13	122.1 (6)	C26—C27—H27A	109.6
C15—C14—C13	122.0 (6)	C28—C27—H27B	109.6
F7—C15—C16	118.8 (6)	C26—C27—H27B	109.6
F7—C15—C14	119.0 (6)	H27A—C27—H27B	108.1
C16—C15—C14	122.1 (6)	C27—C28—C29	101.5 (14)
F8—C16—C15	119.3 (6)	C27—C28—H28A	111.5
F8—C16—C14iv	118.7 (6)	C29—C28—H28A	111.5
C15—C16—C14iv	122.0 (6)	C27—C28—H28B	111.5
C17—O9—C20	109.7 (5)	C29—C28—H28B	111.5
C17—O9—Zn2	125.7 (4)	H28A—C28—H28B	109.3
C20—O9—Zn2	124.1 (4)	O10—C29—C28	107.4 (11)
C29—O10—C26	107.2 (11)	O10—C29—H29A	110.2
C22—O10—C25	108.6 (9)	C28—C29—H29A	110.2
C22—O10—Zn1	122.9 (8)	O10—C29—H29B	110.2
C29—O10—Zn1	120.9 (12)	C28—C29—H29B	110.2
C26—O10—Zn1	126.0 (8)	H29A—C29—H29B	108.5
C6—C1—C2—F1	−179.6 (6)	F5—C11—C12—C10iii	178.3 (6)
C7—C1—C2—F1	−4.0 (10)	C10—C11—C12—C10iii	−0.6 (11)
C6—C1—C2—C3	−2.3 (10)	Zn2—O7—C13—O8	23.7 (11)
C7—C1—C2—C3	173.3 (6)	Zn2—O7—C13—C14	−152.8 (4)
F1—C2—C3—F2	2.6 (10)	Zn1—O8—C13—O7	−45.1 (11)
C1—C2—C3—F2	−174.8 (6)	Zn1—O8—C13—C14	131.4 (5)
F1—C2—C3—C4	−180.0 (6)	O7—C13—C14—C16iv	55.4 (9)
C1—C2—C3—C4	2.7 (11)	O8—C13—C14—C16iv	−121.6 (7)
F2—C3—C4—C5	178.0 (6)	O7—C13—C14—C15	−126.7 (7)
C2—C3—C4—C5	0.6 (10)	O8—C13—C14—C15	56.2 (9)
F2—C3—C4—C8	4.0 (10)	C16iv—C14—C15—F7	−178.0 (6)
C2—C3—C4—C8	−173.4 (6)	C13—C14—C15—F7	4.0 (10)
C3—C4—C5—F3	179.2 (6)	C16iv—C14—C15—C16	−1.4 (11)
C8—C4—C5—F3	−6.4 (10)	C13—C14—C15—C16	−179.3 (7)
C3—C4—C5—C6	−4.3 (10)	F7—C15—C16—F8	−0.6 (10)
C8—C4—C5—C6	170.0 (6)	C14—C15—C16—F8	−177.3 (6)
F3—C5—C6—F4	0.0 (9)	F7—C15—C16—C14iv	178.1 (6)
C4—C5—C6—F4	−176.5 (6)	C14—C15—C16—C14iv	1.4 (12)
F3—C5—C6—C1	−178.7 (6)	C20—O9—C17—C18	−14.5 (17)
C4—C5—C6—C1	4.8 (11)	Zn2—O9—C17—C18	157.5 (15)
C2—C1—C6—F4	−180.0 (6)	C20—O9—C17—C21	14.8 (14)
C7—C1—C6—F4	4.3 (10)	Zn2—O9—C17—C21	−173.2 (11)
C2—C1—C6—C5	−1.3 (10)	O9—C17—C18—C19	22 (3)
C7—C1—C6—C5	−177.0 (6)	C21—C17—C18—C19	−70.7 (8)
Zn1—O2—C7—O1	0.7 (10)	O9—C17—C21—C19	−26 (2)
Zn1—O2—C7—C1	−179.3 (4)	C18—C17—C21—C19	70.9 (8)
Zn2—O1—C7—O2	−11.3 (11)	C17—C21—C19—C18	−70.7 (8)
Zn2—O1—C7—C1	168.7 (4)	C17—C21—C19—C20	26 (2)
C2—C1—C7—O2	49.9 (9)	C17—C18—C19—C21	70.8 (8)
C6—C1—C7—O2	−134.7 (7)	C17—C18—C19—C20	−20 (3)
C2—C1—C7—O1	−130.1 (7)	C17—O9—C20—C19	1.6 (9)
C6—C1—C7—O1	45.3 (9)	Zn2—O9—C20—C19	−170.6 (5)
Zn2v—O3—C8—O4	0.1 (6)	C21—C19—C20—O9	−17.1 (14)
Zn2v—O3—C8—C4	−175.0 (6)	C18—C19—C20—O9	11.8 (17)
Zn1v—O4—C8—O3	125.7 (6)	C29—O10—C22—C23	−94 (13)
Zn2v—O4—C8—O3	−0.1 (7)	C26—O10—C22—C23	−5 (2)
Zn1v—O4—C8—C4	−59.0 (8)	C25—O10—C22—C23	−28 (3)
Zn2v—O4—C8—C4	175.3 (5)	Zn1—O10—C22—C23	−164.3 (13)
Zn1v—O4—C8—Zn2v	125.8 (5)	O10—C22—C23—C24	18 (3)
C5—C4—C8—O3	73.2 (9)	C22—C23—C24—C25	−2 (2)
C3—C4—C8—O3	−113.0 (8)	C22—O10—C25—C24	27 (2)
C5—C4—C8—O4	−102.3 (7)	C29—O10—C25—C24	32 (2)
C3—C4—C8—O4	71.6 (9)	C26—O10—C25—C24	−64 (2)
Zn1vi—O6—C9—O5	−11.4 (8)	Zn1—O10—C25—C24	167.3 (13)
Zn1vi—O6—C9—C10	167.6 (4)	C23—C24—C25—O10	−15 (2)
Zn2—O5—C9—O6	−149.5 (5)	C22—O10—C26—C27	−44 (2)
Zn2—O5—C9—C10	31.5 (9)	C29—O10—C26—C27	−38 (2)
O6—C9—C10—C12iii	−106.3 (7)	C25—O10—C26—C27	53 (2)
O5—C9—C10—C12iii	72.7 (8)	Zn1—O10—C26—C27	114.9 (15)
O6—C9—C10—C11	73.4 (8)	O10—C26—C27—C28	32 (3)
O5—C9—C10—C11	−107.6 (7)	C26—C27—C28—C29	−14 (3)
C12iii—C10—C11—F5	−178.4 (6)	C22—O10—C29—C28	124 (15)
C9—C10—C11—F5	2.0 (9)	C26—O10—C29—C28	32 (3)
C12iii—C10—C11—C12	0.6 (10)	C25—O10—C29—C28	9 (3)
C9—C10—C11—C12	−179.1 (6)	Zn1—O10—C29—C28	−122.8 (17)
F5—C11—C12—F6	−0.7 (9)	C27—C28—C29—O10	−10 (3)
C10—C11—C12—F6	−179.7 (5)