catena-Poly[[bis-(μ(2)-1,4,7,10,13,16-hexa-oxacyclo-octa-deca-ne)dipotassium]-μ(2)-iodido-(iodidocadmium)-di-μ(2)-iodido-(iodidocadmium)-μ(2)-iodido].

The reaction of CdCl(2), 18-crown-6 and KI in water yields the title coordination polymer, [{K(C(12)H(24)O(6))}(2)Cd(2)I(6)](n). The potassium ion lies approximately in the plane of the crown ether, coordinated by all six crown ether O atoms and also by an iodide anion bound to a cadmium atom. A C atom of the crown ether is disordered over two positions with site occupancies of 0.77 (2) and 0.23 (2). Two K(18-crown-6)(+) units are linked by inversion symmetry, forming a [bis-(μ(2)-18-crown-6)dipottasium] system with approximately square-planar K(2)O(2) units. Inversion symmetry also generates the Cd(2)I(6) fragment and the polymeric system is extended along the c axis by the formation of K-I-Cd bridges.

Related literature

For applications of polyiodides, see: Yang et al. (2011 ▶). For the properties of cadmium compounds, see: Ramesh et al. (2012 ▶). For related structures, see: Park et al. (2010 ▶); Guo et al. (2006 ▶); Kunz et al. (2009 ▶).

Experimental

Crystal data

[Cd2K2I6(C12H24O6)2]

M = 796.51

Monoclinic,

a = 10.627 (2) Å

b = 14.986 (2) Å

c = 15.190 (3) Å

β = 103.959 (1)°

V = 2347.7 (7) Å3

Z = 4

Mo Kα radiation

μ = 5.07 mm−1

T = 293 K

0.20 × 0.15 × 0.10 mm

Data collection

Bruker Kappa APEXII CCD diffractometer

Absorption correction: multi-scan (SADABS; Sheldrick, 2004 ▶) T min = 0.430, T max = 0.631

21969 measured reflections

4129 independent reflections

3585 reflections with I > 2σ(I)

R int = 0.025

Refinement

R[F 2 > 2σ(F 2)] = 0.028

wR(F 2) = 0.067

S = 1.03

4129 reflections

219 parameters

6 restraints

H-atom parameters constrained

Δρmax = 1.53 e Å−3

Δρmin = −1.16 e Å−3

Data collection: APEX2 (Bruker, 2004 ▶); cell refinement: APEX2 and SAINT (Bruker, 2004 ▶); data reduction: SAINT and XPREP (Bruker, 2004 ▶); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008 ▶); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008 ▶); molecular graphics: ORTEP-3 for Windows (Farrugia, 2012 ▶) and Mercury (Macrae et al., 2008 ▶); software used to prepare material for publication: WinGX (Farrugia, 2012 ▶) and PLATON (Spek, 2009 ▶).

Click here for additional data file.

Crystal structure: contains datablock(s) global, I. DOI: 10.1107/S1600536813002274/sj5295sup1.cif

Click here for additional data file.

Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536813002274/sj5295Isup2.hkl

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

[Cd2K2I6(C12H24O6)2]	F(000) = 1480
Mr = 796.51	Dx = 2.254 Mg m−3
Monoclinic, P21/c	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ybc	Cell parameters from 5995 reflections
a = 10.627 (2) Å	θ = 2.4–31.1°
b = 14.986 (2) Å	µ = 5.07 mm−1
c = 15.190 (3) Å	T = 293 K
β = 103.959 (1)°	Block, colorless
V = 2347.7 (7) Å3	0.20 × 0.15 × 0.10 mm
Z = 4

Bruker Kappa APEXII CCD diffractometer	4129 independent reflections
Radiation source: fine-focus sealed tube	3585 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.025
ω and φ scans	θmax = 25.0°, θmin = 2.4°
Absorption correction: multi-scan (SADABS; Sheldrick, 2004)	h = −12→12
Tmin = 0.430, Tmax = 0.631	k = −17→17
21969 measured reflections	l = −18→17

Refinement on F2	Secondary atom site location: difference Fourier map
Least-squares matrix: full	Hydrogen site location: inferred from neighbouring sites
R[F2 > 2σ(F2)] = 0.028	H-atom parameters constrained
wR(F2) = 0.067	w = 1/[σ2(Fo2) + (0.023P)2 + 7.1196P] where P = (Fo2 + 2Fc2)/3
S = 1.03	(Δ/σ)max < 0.001
4129 reflections	Δρmax = 1.53 e Å−3
219 parameters	Δρmin = −1.16 e Å−3
6 restraints	Extinction correction: SHELXL, Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4
Primary atom site location: structure-invariant direct methods	Extinction coefficient: 0.00235 (8)

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)
C1	0.3249 (6)	0.2719 (4)	0.4090 (5)	0.0679 (16)
H1A	0.3011	0.3261	0.3740	0.081*	0.772 (18)
H1B	0.3200	0.2840	0.4708	0.081*	0.772 (18)
H1C	0.2860	0.2977	0.3501	0.081*	0.228 (18)
H1D	0.3298	0.3192	0.4533	0.081*	0.228 (18)
C2	0.2332 (7)	0.2020 (6)	0.3714 (8)	0.060 (2)	0.772 (18)
H2A	0.1481	0.2182	0.3790	0.072*	0.772 (18)
H2B	0.2275	0.1966	0.3070	0.072*	0.772 (18)
C2'	0.238 (3)	0.2087 (18)	0.426 (3)	0.055 (5)	0.228 (18)
H2'1	0.1528	0.2214	0.3879	0.066*	0.228 (18)
H2'2	0.2320	0.2155	0.4889	0.066*	0.228 (18)
C3	0.1840 (7)	0.0503 (5)	0.3846 (7)	0.110 (3)
H3A	0.1013	0.0665	0.3965	0.131*
H3B	0.1705	0.0449	0.3193	0.131*
C4	0.2172 (7)	−0.0310 (5)	0.4214 (7)	0.104 (3)
H4A	0.1537	−0.0738	0.3898	0.125*
H4B	0.2110	−0.0294	0.4840	0.125*
C5	0.3433 (6)	−0.1295 (4)	0.3525 (4)	0.0606 (14)
H5A	0.3073	−0.1049	0.2927	0.073*
H5B	0.2900	−0.1796	0.3614	0.073*
C6	0.4776 (6)	−0.1597 (3)	0.3595 (4)	0.0577 (14)
H6A	0.5175	−0.1768	0.4216	0.069*
H6B	0.4772	−0.2115	0.3210	0.069*
C7	0.6773 (6)	−0.1139 (4)	0.3315 (4)	0.0660 (16)
H7A	0.6775	−0.1703	0.3001	0.079*
H7B	0.7289	−0.1208	0.3932	0.079*
C8	0.7332 (6)	−0.0427 (4)	0.2846 (4)	0.0678 (16)
H8A	0.8191	−0.0600	0.2795	0.081*
H8B	0.6792	−0.0342	0.2238	0.081*
C9	0.7834 (6)	0.1110 (4)	0.2893 (4)	0.0642 (15)
H9A	0.7216	0.1224	0.2321	0.077*
H9B	0.8665	0.0970	0.2767	0.077*
C10	0.7961 (5)	0.1915 (4)	0.3483 (5)	0.0684 (16)
H10A	0.8492	0.1779	0.4082	0.082*
H10B	0.8373	0.2394	0.3226	0.082*
C11	0.6678 (6)	0.2865 (4)	0.4144 (5)	0.0721 (17)
H11A	0.7194	0.3358	0.4010	0.087*
H11B	0.7072	0.2660	0.4754	0.087*
C12	0.5374 (6)	0.3184 (4)	0.4112 (5)	0.0760 (18)
H12A	0.5394	0.3550	0.4642	0.091*
H12B	0.5081	0.3555	0.3579	0.091*
O1	0.4507 (4)	0.2494 (2)	0.4086 (3)	0.0636 (10)
O2	0.2691 (3)	0.1203 (2)	0.4130 (3)	0.0595 (9)
O3	0.3430 (4)	−0.0632 (2)	0.4197 (3)	0.0616 (10)
O4	0.5494 (4)	−0.0901 (2)	0.3323 (2)	0.0539 (9)
O5	0.7407 (4)	0.0380 (2)	0.3341 (2)	0.0568 (9)
O6	0.6704 (4)	0.2180 (3)	0.3542 (3)	0.0680 (11)
K1	0.51194 (11)	0.07876 (7)	0.38443 (8)	0.0520 (3)
Cd1	0.10508 (3)	0.09039 (2)	0.07415 (2)	0.04486 (11)
I1	−0.01908 (3)	−0.06719 (2)	0.11826 (2)	0.05110 (11)
I2	−0.00034 (4)	0.23919 (3)	0.12810 (3)	0.06725 (14)
I3	0.36601 (3)	0.07316 (3)	0.13778 (3)	0.05971 (12)

	U11	U22	U33	U12	U13	U23
C1	0.070 (4)	0.049 (3)	0.089 (4)	0.022 (3)	0.030 (3)	0.009 (3)
C2	0.050 (4)	0.066 (5)	0.059 (6)	0.019 (3)	0.004 (4)	0.005 (5)
C2'	0.048 (8)	0.060 (9)	0.058 (10)	0.024 (8)	0.012 (10)	0.002 (10)
C3	0.045 (4)	0.076 (5)	0.198 (10)	−0.006 (4)	0.009 (5)	0.005 (6)
C4	0.063 (4)	0.074 (5)	0.186 (9)	−0.012 (4)	0.052 (5)	−0.010 (5)
C5	0.071 (4)	0.050 (3)	0.059 (3)	−0.012 (3)	0.013 (3)	−0.002 (3)
C6	0.082 (4)	0.038 (3)	0.055 (3)	0.000 (3)	0.019 (3)	0.000 (2)
C7	0.069 (4)	0.049 (3)	0.085 (4)	0.018 (3)	0.028 (3)	−0.001 (3)
C8	0.072 (4)	0.065 (4)	0.076 (4)	0.011 (3)	0.038 (3)	−0.011 (3)
C9	0.053 (3)	0.076 (4)	0.070 (4)	−0.003 (3)	0.028 (3)	0.004 (3)
C10	0.050 (3)	0.070 (4)	0.089 (4)	−0.011 (3)	0.024 (3)	−0.002 (3)
C11	0.068 (4)	0.065 (4)	0.079 (4)	−0.010 (3)	0.009 (3)	−0.011 (3)
C12	0.086 (5)	0.046 (3)	0.100 (5)	−0.010 (3)	0.031 (4)	−0.013 (3)
O1	0.058 (2)	0.045 (2)	0.088 (3)	0.0044 (18)	0.018 (2)	−0.0001 (19)
O2	0.049 (2)	0.051 (2)	0.078 (3)	0.0035 (17)	0.0144 (19)	0.0012 (18)
O3	0.060 (2)	0.049 (2)	0.078 (3)	−0.0065 (18)	0.022 (2)	−0.0076 (18)
O4	0.061 (2)	0.0392 (18)	0.065 (2)	0.0083 (16)	0.0214 (18)	0.0028 (16)
O5	0.062 (2)	0.059 (2)	0.056 (2)	0.0023 (18)	0.0263 (18)	−0.0008 (17)
O6	0.058 (2)	0.058 (2)	0.092 (3)	−0.0112 (19)	0.024 (2)	−0.013 (2)
K1	0.0499 (6)	0.0392 (6)	0.0724 (8)	−0.0007 (5)	0.0256 (6)	−0.0059 (5)
Cd1	0.0438 (2)	0.0415 (2)	0.0481 (2)	−0.00042 (15)	0.00872 (15)	−0.00202 (15)
I1	0.0600 (2)	0.0530 (2)	0.04247 (19)	−0.01331 (16)	0.01657 (15)	0.00179 (14)
I2	0.0590 (2)	0.0554 (2)	0.0825 (3)	0.01439 (18)	0.0077 (2)	−0.01480 (19)
I3	0.0436 (2)	0.0646 (2)	0.0658 (2)	0.00437 (16)	0.00337 (16)	0.00944 (17)

C1—O1	1.380 (7)	C8—O5	1.416 (6)
C1—C2'	1.39 (3)	C8—H8A	0.9700
C1—C2	1.451 (11)	C8—H8B	0.9700
C1—H1A	0.9700	C9—O5	1.419 (7)
C1—H1B	0.9700	C9—C10	1.489 (8)
C1—H1C	0.9700	C9—H9A	0.9700
C1—H1D	0.9700	C9—H9B	0.9700
C2—O2	1.388 (9)	C10—O6	1.417 (7)
C2—K1	3.456 (8)	C10—H10A	0.9700
C2—H2A	0.9700	C10—H10B	0.9700
C2—H2B	0.9700	C11—O6	1.379 (7)
C2'—O2	1.39 (3)	C11—C12	1.455 (8)
C2'—H2'1	0.9700	C11—K1	3.504 (6)
C2'—H2'2	0.9700	C11—H11A	0.9700
C3—C4	1.352 (10)	C11—H11B	0.9700
C3—O2	1.383 (8)	C12—O1	1.380 (7)
C3—H3A	0.9700	C12—H12A	0.9700
C3—H3B	0.9700	C12—H12B	0.9700
C4—O3	1.427 (8)	O1—K1	2.686 (4)
C4—H4A	0.9700	O2—K1	2.788 (4)
C4—H4B	0.9700	O3—K1	2.916 (4)
C5—O3	1.424 (6)	O3—K1i	3.011 (4)
C5—C6	1.477 (8)	O4—K1	2.709 (3)
C5—H5A	0.9700	O5—K1	2.786 (4)
C5—H5B	0.9700	O6—K1	2.788 (4)
C6—O4	1.413 (6)	K1—O3i	3.011 (4)
C6—H6A	0.9700	Cd1—I2	2.7097 (6)
C6—H6B	0.9700	Cd1—I3	2.7197 (7)
C7—O4	1.408 (6)	Cd1—I1	2.8624 (6)
C7—C8	1.485 (8)	Cd1—I1ii	2.8652 (7)
C7—H7A	0.9700	I1—Cd1ii	2.8652 (7)
C7—H7B	0.9700
O1—C1—C2'	121.5 (11)	C11—C12—H12B	109.2
O1—C1—C2	112.4 (5)	H12A—C12—H12B	107.9
O1—C1—H1A	109.1	C12—O1—C1	117.3 (4)
C2'—C1—H1A	125.1	C12—O1—K1	122.4 (3)
C2—C1—H1A	109.1	C1—O1—K1	120.0 (3)
O1—C1—H1B	109.1	C3—O2—C2	116.1 (6)
C2'—C1—H1B	75.5	C3—O2—C2'	127.2 (12)
C2—C1—H1B	109.1	C3—O2—K1	110.0 (4)
H1A—C1—H1B	107.9	C2—O2—K1	106.8 (4)
O1—C1—H1C	107.0	C2'—O2—K1	119.8 (12)
C2'—C1—H1C	107.0	C5—O3—C4	114.3 (5)
C2—C1—H1C	80.2	C5—O3—K1	105.6 (3)
H1B—C1—H1C	135.0	C4—O3—K1	112.2 (4)
O1—C1—H1D	106.9	C5—O3—K1i	124.4 (3)
C2'—C1—H1D	106.9	C4—O3—K1i	105.5 (5)
C2—C1—H1D	136.0	K1—O3—K1i	92.68 (11)
H1A—C1—H1D	74.4	C7—O4—C6	113.9 (4)
H1C—C1—H1D	106.7	C7—O4—K1	116.7 (3)
O2—C2—C1	112.0 (6)	C6—O4—K1	118.5 (3)
O2—C2—K1	50.6 (3)	C8—O5—C9	112.8 (4)
C1—C2—K1	83.0 (4)	C8—O5—K1	113.1 (3)
O2—C2—H2A	109.2	C9—O5—K1	111.4 (3)
C1—C2—H2A	109.2	C11—O6—C10	114.9 (5)
K1—C2—H2A	159.8	C11—O6—K1	109.8 (3)
O2—C2—H2B	109.2	C10—O6—K1	114.6 (3)
C1—C2—H2B	109.2	O1—K1—O4	170.67 (13)
K1—C2—H2B	81.8	O1—K1—O5	120.16 (12)
H2A—C2—H2B	107.9	O4—K1—O5	61.03 (11)
C1—C2'—O2	115 (2)	O1—K1—O6	59.05 (12)
C1—C2'—H2'1	108.5	O4—K1—O6	120.91 (12)
O2—C2'—H2'1	108.5	O5—K1—O6	61.14 (11)
C1—C2'—H2'2	108.5	O1—K1—O2	60.16 (11)
O2—C2'—H2'2	108.5	O4—K1—O2	117.43 (12)
H2'1—C2'—H2'2	107.5	O5—K1—O2	173.22 (12)
C4—C3—O2	117.9 (7)	O6—K1—O2	118.49 (12)
C4—C3—K1	87.1 (4)	O1—K1—O3	119.29 (12)
O2—C3—K1	48.2 (3)	O4—K1—O3	60.85 (11)
C4—C3—H3A	107.8	O5—K1—O3	120.48 (11)
O2—C3—H3A	107.8	O6—K1—O3	178.21 (12)
K1—C3—H3A	156.0	O2—K1—O3	60.01 (11)
C4—C3—H3B	107.8	O1—K1—O3i	91.24 (12)
O2—C3—H3B	107.8	O4—K1—O3i	98.07 (11)
K1—C3—H3B	84.9	O5—K1—O3i	88.95 (11)
H3A—C3—H3B	107.2	O6—K1—O3i	91.99 (12)
C3—C4—O3	116.7 (7)	O2—K1—O3i	97.83 (11)
C3—C4—H4A	108.1	O3—K1—O3i	87.32 (11)
O3—C4—H4A	108.1	O1—K1—C2	42.81 (17)
C3—C4—H4B	108.1	O4—K1—C2	131.82 (18)
O3—C4—H4B	108.1	O5—K1—C2	153.38 (19)
H4A—C4—H4B	107.3	O6—K1—C2	97.71 (17)
O3—C5—C6	109.4 (4)	O2—K1—C2	22.61 (18)
O3—C5—H5A	109.8	O3—K1—C2	80.96 (17)
C6—C5—H5A	109.8	O3i—K1—C2	109.0 (2)
O3—C5—H5B	109.8	O1—K1—C11	42.17 (14)
C6—C5—H5B	109.8	O4—K1—C11	140.31 (14)
H5A—C5—H5B	108.2	O5—K1—C11	79.29 (13)
O4—C6—C5	109.5 (4)	O6—K1—C11	21.74 (13)
O4—C6—H6A	109.8	O2—K1—C11	101.99 (13)
C5—C6—H6A	109.8	O3—K1—C11	156.50 (14)
O4—C6—H6B	109.8	O3i—K1—C11	80.03 (13)
C5—C6—H6B	109.8	C2—K1—C11	84.52 (18)
H6A—C6—H6B	108.2	O1—K1—C3	80.91 (15)
O4—C7—C8	108.6 (5)	O4—K1—C3	95.91 (16)
O4—C7—H7A	110.0	O5—K1—C3	154.87 (17)
C8—C7—H7A	110.0	O6—K1—C3	136.86 (16)
O4—C7—H7B	110.0	O2—K1—C3	21.72 (16)
C8—C7—H7B	110.0	O3—K1—C3	41.94 (15)
H7A—C7—H7B	108.3	O3i—K1—C3	105.17 (19)
O5—C8—C7	109.7 (5)	C2—K1—C3	39.42 (19)
O5—C8—H8A	109.7	C11—K1—C3	123.07 (17)
C7—C8—H8A	109.7	O1—K1—I3	95.98 (9)
O5—C8—H8B	109.7	O4—K1—I3	74.79 (8)
C7—C8—H8B	109.7	O5—K1—I3	84.10 (8)
H8A—C8—H8B	108.2	O6—K1—I3	88.43 (9)
O5—C9—C10	109.2 (5)	O2—K1—I3	89.13 (9)
O5—C9—H9A	109.8	O3—K1—I3	92.49 (9)
C10—C9—H9A	109.8	O3i—K1—I3	171.82 (8)
O5—C9—H9B	109.8	C2—K1—I3	79.04 (19)
C10—C9—H9B	109.8	C11—K1—I3	102.81 (11)
H9A—C9—H9B	108.3	C3—K1—I3	79.86 (18)
O6—C10—C9	108.4 (5)	O1—K1—K1i	110.35 (10)
O6—C10—H10A	110.0	O4—K1—K1i	76.54 (8)
C9—C10—H10A	110.0	O5—K1—K1i	109.39 (9)
O6—C10—H10B	110.0	O6—K1—K1i	134.75 (10)
C9—C10—H10B	110.0	O2—K1—K1i	75.86 (8)
H10A—C10—H10B	108.4	O3—K1—K1i	44.54 (8)
O6—C11—C12	113.2 (5)	O3i—K1—K1i	42.78 (7)
O6—C11—K1	48.5 (3)	C2—K1—K1i	96.98 (18)
C12—C11—K1	82.6 (3)	C11—K1—K1i	120.13 (12)
O6—C11—H11A	108.9	C3—K1—K1i	71.22 (16)
C12—C11—H11A	108.9	I3—K1—K1i	136.43 (4)
K1—C11—H11A	157.3	I2—Cd1—I3	115.538 (18)
O6—C11—H11B	108.9	I2—Cd1—I1	111.13 (2)
C12—C11—H11B	108.9	I3—Cd1—I1	109.058 (17)
K1—C11—H11B	85.7	I2—Cd1—I1ii	110.792 (17)
H11A—C11—H11B	107.8	I3—Cd1—I1ii	113.455 (17)
O1—C12—C11	112.3 (5)	I1—Cd1—I1ii	94.994 (15)
O1—C12—H12A	109.2	Cd1—I1—Cd1ii	85.006 (15)
C11—C12—H12A	109.2	Cd1—I3—K1	120.06 (2)
O1—C12—H12B	109.2
O1—C1—C2—O2	52.9 (10)	C3—O2—K1—O4	−8.3 (5)
C2'—C1—C2—O2	−60.7 (19)	C2—O2—K1—O4	−135.1 (5)
O1—C1—C2—K1	10.6 (5)	C2'—O2—K1—O4	−170.4 (18)
C2'—C1—C2—K1	−103 (2)	C3—O2—K1—O6	151.8 (5)
O1—C1—C2'—O2	−21 (3)	C2—O2—K1—O6	25.0 (5)
C2—C1—C2'—O2	63 (2)	C2'—O2—K1—O6	−10.3 (19)
O2—C3—C4—O3	−51.3 (13)	C3—O2—K1—O3	−29.3 (5)
K1—C3—C4—O3	−12.7 (8)	C2—O2—K1—O3	−156.1 (5)
O3—C5—C6—O4	−68.8 (6)	C2'—O2—K1—O3	168.6 (19)
O4—C7—C8—O5	63.5 (6)	C3—O2—K1—O3i	−111.6 (5)
O5—C9—C10—O6	−68.1 (6)	C2—O2—K1—O3i	121.6 (5)
O6—C11—C12—O1	44.6 (8)	C2'—O2—K1—O3i	86.2 (18)
K1—C11—C12—O1	6.1 (5)	C3—O2—K1—C2	126.8 (7)
C11—C12—O1—C1	177.6 (6)	C2'—O2—K1—C2	−35.3 (16)
C11—C12—O1—K1	−9.4 (8)	C3—O2—K1—C11	167.0 (5)
C2'—C1—O1—C12	−166 (2)	C2—O2—K1—C11	40.2 (5)
C2—C1—O1—C12	157.4 (7)	C2'—O2—K1—C11	4.8 (18)
C2'—C1—O1—K1	21 (2)	C2—O2—K1—C3	−126.8 (7)
C2—C1—O1—K1	−15.8 (8)	C2'—O2—K1—C3	−162.1 (19)
C4—C3—O2—C2	178.1 (9)	C3—O2—K1—I3	64.1 (5)
K1—C3—O2—C2	121.4 (7)	C2—O2—K1—I3	−62.7 (5)
C4—C3—O2—C2'	−143 (2)	C2'—O2—K1—I3	−98.1 (18)
K1—C3—O2—C2'	160 (2)	C3—O2—K1—K1i	−74.6 (5)
C4—C3—O2—K1	56.6 (10)	C2—O2—K1—K1i	158.6 (5)
C1—C2—O2—C3	177.0 (7)	C2'—O2—K1—K1i	123.2 (18)
K1—C2—O2—C3	−123.1 (7)	C5—O3—K1—O1	143.2 (3)
C1—C2—O2—C2'	58 (2)	C4—O3—K1—O1	18.0 (5)
K1—C2—O2—C2'	118 (2)	K1i—O3—K1—O1	−89.92 (14)
C1—C2—O2—K1	−59.9 (8)	C5—O3—K1—O4	−26.1 (3)
C1—C2'—O2—C3	−148.2 (16)	C4—O3—K1—O4	−151.3 (5)
C1—C2'—O2—C2	−65 (3)	K1i—O3—K1—O4	100.78 (13)
C1—C2'—O2—K1	11 (3)	C5—O3—K1—O5	−39.7 (4)
C6—C5—O3—C4	−178.0 (5)	C4—O3—K1—O5	−164.9 (5)
C6—C5—O3—K1	58.1 (5)	K1i—O3—K1—O5	87.20 (13)
C6—C5—O3—K1i	−46.3 (5)	C5—O3—K1—O2	132.5 (3)
C3—C4—O3—C5	−103.7 (8)	C4—O3—K1—O2	7.3 (5)
C3—C4—O3—K1	16.6 (10)	K1i—O3—K1—O2	−100.63 (13)
C3—C4—O3—K1i	116.1 (8)	C5—O3—K1—O3i	−126.9 (3)
C8—C7—O4—C6	168.6 (5)	C4—O3—K1—O3i	107.9 (5)
C8—C7—O4—K1	−47.6 (6)	K1i—O3—K1—O3i	0.0
C5—C6—O4—C7	−176.6 (5)	C5—O3—K1—C2	123.4 (4)
C5—C6—O4—K1	40.3 (5)	C4—O3—K1—C2	−1.8 (5)
C7—C8—O5—C9	−175.2 (5)	K1i—O3—K1—C2	−109.7 (2)
C7—C8—O5—K1	−47.7 (6)	C5—O3—K1—C11	175.9 (4)
C10—C9—O5—C8	−176.6 (5)	C4—O3—K1—C11	50.8 (6)
C10—C9—O5—K1	55.0 (5)	K1i—O3—K1—C11	−57.2 (4)
C12—C11—O6—C10	173.5 (5)	C5—O3—K1—C3	116.8 (4)
K1—C11—O6—C10	−130.9 (5)	C4—O3—K1—C3	−8.4 (5)
C12—C11—O6—K1	−55.5 (6)	K1i—O3—K1—C3	−116.4 (3)
C9—C10—O6—C11	173.6 (5)	C5—O3—K1—I3	44.9 (3)
C9—C10—O6—K1	45.0 (6)	C4—O3—K1—I3	−80.3 (5)
C12—O1—K1—O5	−10.5 (5)	K1i—O3—K1—I3	171.81 (8)
C1—O1—K1—O5	162.3 (4)	C5—O3—K1—K1i	−126.9 (3)
C12—O1—K1—O6	−12.6 (4)	C4—O3—K1—K1i	107.9 (5)
C1—O1—K1—O6	160.3 (4)	O2—C2—K1—O1	−133.4 (7)
C12—O1—K1—O2	177.3 (5)	C1—C2—K1—O1	−7.4 (4)
C1—O1—K1—O2	−9.8 (4)	O2—C2—K1—O4	57.3 (6)
C12—O1—K1—O3	166.6 (4)	C1—C2—K1—O4	−176.7 (4)
C1—O1—K1—O3	−20.5 (5)	O2—C2—K1—O5	166.8 (3)
C12—O1—K1—O3i	79.0 (5)	C1—C2—K1—O5	−67.1 (8)
C1—O1—K1—O3i	−108.2 (4)	O2—C2—K1—O6	−158.0 (5)
C12—O1—K1—C2	−163.9 (6)	C1—C2—K1—O6	−31.9 (5)
C1—O1—K1—C2	8.9 (5)	C1—C2—K1—O2	126.0 (9)
C12—O1—K1—C11	5.4 (4)	O2—C2—K1—O3	20.8 (5)
C1—O1—K1—C11	178.2 (5)	C1—C2—K1—O3	146.9 (5)
C12—O1—K1—C3	−175.8 (5)	O2—C2—K1—O3i	−63.2 (5)
C1—O1—K1—C3	−3.0 (4)	C1—C2—K1—O3i	62.9 (5)
C12—O1—K1—I3	−97.1 (5)	O2—C2—K1—C11	−140.6 (5)
C1—O1—K1—I3	75.7 (4)	C1—C2—K1—C11	−14.6 (5)
C12—O1—K1—K1i	118.2 (4)	O2—C2—K1—C3	27.8 (4)
C1—O1—K1—K1i	−69.0 (4)	C1—C2—K1—C3	153.9 (8)
C7—O4—K1—O5	16.9 (3)	O2—C2—K1—I3	115.1 (5)
C6—O4—K1—O5	159.0 (4)	C1—C2—K1—I3	−118.8 (5)
C7—O4—K1—O6	29.8 (4)	O2—C2—K1—K1i	−20.9 (5)
C6—O4—K1—O6	172.0 (3)	C1—C2—K1—K1i	105.1 (5)
C7—O4—K1—O2	−170.6 (3)	O6—C11—K1—O1	−134.5 (5)
C6—O4—K1—O2	−28.5 (4)	C12—C11—K1—O1	−4.3 (4)
C7—O4—K1—O3	−149.8 (4)	O6—C11—K1—O4	31.8 (5)
C6—O4—K1—O3	−7.6 (3)	C12—C11—K1—O4	161.9 (4)
C7—O4—K1—O3i	−67.4 (4)	O6—C11—K1—O5	31.6 (4)
C6—O4—K1—O3i	74.7 (4)	C12—C11—K1—O5	161.7 (4)
C7—O4—K1—C2	168.0 (4)	C12—C11—K1—O6	130.1 (6)
C6—O4—K1—C2	−49.8 (5)	O6—C11—K1—O2	−141.6 (4)
C7—O4—K1—C11	16.7 (5)	C12—C11—K1—O2	−11.5 (4)
C6—O4—K1—C11	158.8 (4)	O6—C11—K1—O3	−179.1 (3)
C7—O4—K1—C3	−173.7 (4)	C12—C11—K1—O3	−49.0 (6)
C6—O4—K1—C3	−31.5 (4)	O6—C11—K1—O3i	122.4 (4)
C7—O4—K1—I3	108.5 (4)	C12—C11—K1—O3i	−107.4 (4)
C6—O4—K1—I3	−109.3 (3)	O6—C11—K1—C2	−127.2 (4)
C7—O4—K1—K1i	−104.6 (4)	C12—C11—K1—C2	3.0 (4)
C6—O4—K1—K1i	37.5 (3)	O6—C11—K1—C3	−135.9 (4)
C8—O5—K1—O1	−152.3 (3)	C12—C11—K1—C3	−5.7 (5)
C9—O5—K1—O1	−24.1 (4)	O6—C11—K1—I3	−49.8 (4)
C8—O5—K1—O4	17.0 (3)	C12—C11—K1—I3	80.4 (4)
C9—O5—K1—O4	145.2 (4)	O6—C11—K1—K1i	137.9 (3)
C8—O5—K1—O6	−150.3 (4)	C12—C11—K1—K1i	−91.9 (4)
C9—O5—K1—O6	−22.1 (3)	C4—C3—K1—O1	−148.6 (6)
C8—O5—K1—O3	30.6 (4)	O2—C3—K1—O1	−16.2 (5)
C9—O5—K1—O3	158.8 (3)	C4—C3—K1—O4	40.3 (6)
C8—O5—K1—O3i	116.9 (4)	O2—C3—K1—O4	172.6 (5)
C9—O5—K1—O3i	−114.9 (3)	C4—C3—K1—O5	62.4 (9)
C8—O5—K1—C2	−109.6 (5)	O2—C3—K1—O5	−165.2 (3)
C9—O5—K1—C2	18.6 (6)	C4—C3—K1—O6	−169.8 (5)
C8—O5—K1—C11	−163.1 (4)	O2—C3—K1—O6	−37.4 (6)
C9—O5—K1—C11	−34.9 (3)	C4—C3—K1—O2	−132.4 (10)
C8—O5—K1—C3	−8.4 (6)	C4—C3—K1—O3	8.2 (5)
C9—O5—K1—C3	119.8 (5)	O2—C3—K1—O3	140.6 (6)
C8—O5—K1—I3	−58.8 (3)	C4—C3—K1—O3i	−59.8 (6)
C9—O5—K1—I3	69.4 (3)	O2—C3—K1—O3i	72.6 (5)
C8—O5—K1—K1i	78.6 (4)	C4—C3—K1—C2	−161.4 (8)
C9—O5—K1—K1i	−153.3 (3)	O2—C3—K1—C2	−29.0 (4)
C11—O6—K1—O1	33.9 (4)	C4—C3—K1—C11	−147.6 (6)
C10—O6—K1—O1	165.0 (4)	O2—C3—K1—C11	−15.3 (6)
C11—O6—K1—O4	−156.9 (4)	C4—C3—K1—I3	113.6 (6)
C10—O6—K1—O4	−25.9 (4)	O2—C3—K1—I3	−114.0 (5)
C11—O6—K1—O5	−144.0 (4)	C4—C3—K1—K1i	−33.3 (6)
C10—O6—K1—O5	−12.9 (4)	O2—C3—K1—K1i	99.0 (5)
C11—O6—K1—O2	43.7 (4)	I2—Cd1—I1—Cd1ii	114.57 (2)
C10—O6—K1—O2	174.8 (4)	I3—Cd1—I1—Cd1ii	−116.930 (19)
C11—O6—K1—O3i	−56.3 (4)	I1ii—Cd1—I1—Cd1ii	0.0
C10—O6—K1—O3i	74.8 (4)	I2—Cd1—I3—K1	55.85 (3)
C11—O6—K1—C2	53.2 (4)	I1—Cd1—I3—K1	−70.15 (3)
C10—O6—K1—C2	−175.8 (4)	I1ii—Cd1—I3—K1	−174.64 (2)
C10—O6—K1—C11	131.1 (6)	O1—K1—I3—Cd1	−65.72 (9)
C11—O6—K1—C3	58.5 (5)	O4—K1—I3—Cd1	112.93 (8)
C10—O6—K1—C3	−170.4 (4)	O5—K1—I3—Cd1	174.47 (8)
C11—O6—K1—I3	131.9 (4)	O6—K1—I3—Cd1	−124.39 (9)
C10—O6—K1—I3	−97.0 (4)	O2—K1—I3—Cd1	−5.86 (8)
C11—O6—K1—K1i	−54.7 (4)	O3—K1—I3—Cd1	54.07 (8)
C10—O6—K1—K1i	76.4 (4)	C2—K1—I3—Cd1	−26.22 (15)
C3—O2—K1—O1	161.4 (5)	C11—K1—I3—Cd1	−107.96 (11)
C2—O2—K1—O1	34.7 (5)	C3—K1—I3—Cd1	13.90 (13)
C2'—O2—K1—O1	−0.7 (18)	K1i—K1—I3—Cd1	62.41 (7)