Three zinc iodide complexes based on phosphane ligands: syntheses, structures, optical properties and TD–DFT calculations

Three zinc iodide complexes based on phosphane ligands, namely di­iodido­bis­(tri­phenyl­phosphane-κP)zinc(II), [ZnI₂(C₁₈H₁₅P₂)₂], (1), di­iodido­bis­[tris­(4-methyl­phen­yl)phosphane-κP]zinc(II), [ZnI₂(C₂₁H₂₁P₂)₂], (2), and [bis­(di­phenyl­phosphor­yl)methane-κ²O,O′]zinc(II) tetra­iodido­zinc(II), [Zn(C₂₅H₂₂O₂P₂)₃][ZnI₄], (3), have been synthesized and characterized. Single-crystal X-ray diffraction revealed that the structures of (1) and (2) are both mononuclear four-coordinated ZnI₂ complexes containing two monodentate phosphane ligands, respectively. Surprisingly, (2) spontaneously forms an acentric structure, suggesting it might be a potential second-order NLO material. The crystal structure of complex (3) is composed of two parts, namely a [Zn(dppmO₂)₃]²⁺ cation [dppmO₂ is bis­(di­phenyl­phosphor­yl)methane] and a [ZnI₄]²⁻ anion. The UV–Vis absorption spectra, thermal stabilities and photoluminescence spectra of the title complexes have also been studied. Time-dependent density functional theory (TD–DFT) calculations reveal that the low-energy UV absorption and the corresponding light emission both result from halide-ligand charge-transfer (XLCT) excited states.

Computing details

For all structures, data collection: CrysAlis PRO (Agilent, 2011); cell refinement: CrysAlis PRO (Agilent, 2011); data reduction: CrysAlis PRO (Agilent, 2011); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL2014 (Sheldrick, 2015); molecular graphics: OLEX2 (Dolomanov et al., 2009); software used to prepare material for publication: OLEX2 (Dolomanov et al., 2009).

Diiodidobis(triphenylphosphane-κP)zinc(II) (1)

Crystal data

[ZnI2(C18H15P2)2]	F(000) = 1648
Mr = 843.71	Dx = 1.680 Mg m^−3
Monoclinic, P21/c	Mo Kα radiation, λ = 0.71073 Å
a = 19.3126 (15) Å	Cell parameters from 4019 reflections
b = 10.2713 (6) Å	θ = 3.0–29.5°
c = 18.1414 (12) Å	µ = 2.71 mm^−1
β = 112.052 (8)°	T = 293 K
V = 3335.4 (4) Å^3	Plate, colourless
Z = 4	0.38 × 0.3 × 0.2 mm

Data collection

Radiation source: Enhance (Mo) X-ray Source	6542 independent reflections
Graphite monochromator	4760 reflections with I > 2σ(I)
Detector resolution: 10.3592 pixels mm^-1	Rint = 0.035
ω scans	θmax = 26.0°, θmin = 3.0°
Absorption correction: multi-scan (CrysAlis PRO; Agilent, 2011)	h = −20→23
Tmin = 0.692, Tmax = 1.000	k = −11→12
15302 measured reflections	l = −20→22

Refinement

Refinement on F^2	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Hydrogen site location: inferred from neighbouring sites
R[F^2 > 2σ(F^2)] = 0.040	H-atom parameters constrained
wR(F^2) = 0.088	w = 1/[σ^2(Fo^2) + (0.035P)^2 + 0.472P] where P = (Fo^2 + 2Fc^2)/3
S = 1.05	(Δ/σ)max = 0.001
6542 reflections	Δρmax = 1.00 e Å^−3
370 parameters	Δρmin = −0.58 e Å^−3
0 restraints

Special details

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

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

	x	y	z	Uiso*/Ueq
I1	0.39402 (2)	0.72852 (3)	0.10790 (2)	0.05347 (11)
I2	0.16298 (2)	0.79329 (4)	0.06862 (2)	0.07439 (14)
Zn1	0.26323 (3)	0.62829 (5)	0.06832 (2)	0.04029 (13)
P1	0.22582 (6)	0.53012 (10)	−0.06754 (5)	0.0354 (2)
P2	0.27837 (6)	0.44666 (10)	0.16199 (5)	0.0340 (2)
C1	0.1549 (2)	0.6246 (4)	−0.1438 (2)	0.0358 (9)
C2	0.0930 (2)	0.5681 (4)	−0.2011 (2)	0.0461 (11)
H2	0.0840	0.4795	−0.1987	0.055*
C3	0.0447 (3)	0.6426 (5)	−0.2615 (3)	0.0603 (13)
H3	0.0026	0.6044	−0.2991	0.072*
C4	0.0580 (3)	0.7722 (5)	−0.2670 (3)	0.0634 (14)
H4	0.0259	0.8211	−0.3092	0.076*
C5	0.1186 (3)	0.8301 (5)	−0.2106 (3)	0.0613 (14)
H5	0.1275	0.9184	−0.2140	0.074*
C6	0.1665 (3)	0.7571 (4)	−0.1483 (2)	0.0510 (12)
H6	0.2068	0.7971	−0.1092	0.061*
C7	0.2992 (2)	0.5103 (4)	−0.1066 (2)	0.0373 (9)
C8	0.3680 (2)	0.4613 (4)	−0.0568 (2)	0.0483 (11)
H8	0.3770	0.4441	−0.0037	0.058*
C9	0.4228 (3)	0.4382 (5)	−0.0865 (3)	0.0623 (13)
H9	0.4685	0.4043	−0.0533	0.075*
C10	0.4107 (3)	0.4647 (5)	−0.1646 (3)	0.0604 (13)
H10	0.4481	0.4478	−0.1839	0.073*
C11	0.3438 (3)	0.5157 (5)	−0.2141 (3)	0.0561 (12)
H11	0.3362	0.5357	−0.2666	0.067*
C12	0.2881 (2)	0.5370 (4)	−0.1854 (2)	0.0442 (10)
H12	0.2423	0.5698	−0.2193	0.053*
C13	0.1861 (2)	0.3685 (4)	−0.0735 (2)	0.0395 (10)
C14	0.1290 (2)	0.3496 (5)	−0.0465 (2)	0.0505 (11)
H14	0.1090	0.4206	−0.0295	0.061*
C15	0.1012 (3)	0.2258 (6)	−0.0444 (3)	0.0702 (17)
H15	0.0623	0.2138	−0.0266	0.084*
C16	0.1314 (4)	0.1212 (6)	−0.0687 (3)	0.0762 (19)
H16	0.1138	0.0378	−0.0659	0.091*
C17	0.1865 (4)	0.1382 (5)	−0.0967 (3)	0.0727 (16)
H17	0.2058	0.0665	−0.1139	0.087*
C18	0.2145 (3)	0.2610 (4)	−0.1001 (2)	0.0546 (12)
H18	0.2520	0.2720	−0.1200	0.066*
C19	0.3258 (2)	0.4893 (4)	0.26646 (19)	0.0334 (9)
C20	0.3294 (2)	0.6156 (4)	0.2913 (2)	0.0432 (10)
H20	0.3083	0.6813	0.2544	0.052*
C21	0.3645 (3)	0.6467 (4)	0.3715 (2)	0.0511 (12)
H21	0.3665	0.7329	0.3879	0.061*
C22	0.3960 (3)	0.5509 (5)	0.4263 (2)	0.0504 (12)
H22	0.4192	0.5718	0.4798	0.060*
C23	0.3932 (3)	0.4246 (4)	0.4021 (2)	0.0530 (12)
H23	0.4155	0.3597	0.4393	0.064*
C24	0.3578 (3)	0.3923 (4)	0.3230 (2)	0.0494 (11)
H24	0.3551	0.3057	0.3072	0.059*
C25	0.3385 (2)	0.3231 (4)	0.14602 (19)	0.0332 (9)
C26	0.4152 (2)	0.3411 (4)	0.1777 (2)	0.0462 (10)
H26	0.4351	0.4154	0.2073	0.055*
C27	0.4625 (3)	0.2500 (5)	0.1657 (3)	0.0595 (13)
H27	0.5139	0.2632	0.1873	0.071*
C28	0.4337 (3)	0.1400 (5)	0.1220 (3)	0.0605 (13)
H28	0.4657	0.0773	0.1154	0.073*
C29	0.3580 (3)	0.1225 (4)	0.0881 (2)	0.0557 (13)
H29	0.3386	0.0488	0.0576	0.067*
C30	0.3104 (3)	0.2137 (4)	0.0992 (2)	0.0469 (11)
H30	0.2590	0.2020	0.0750	0.056*
C31	0.1935 (2)	0.3647 (4)	0.1583 (2)	0.0395 (10)
C32	0.1912 (3)	0.2347 (5)	0.1780 (3)	0.0557 (12)
H32	0.2351	0.1862	0.1964	0.067*
C33	0.1246 (3)	0.1767 (6)	0.1704 (3)	0.0749 (16)
H33	0.1236	0.0889	0.1826	0.090*
C34	0.0592 (4)	0.2484 (7)	0.1449 (4)	0.0828 (18)
H34	0.0140	0.2095	0.1393	0.099*
C35	0.0622 (3)	0.3768 (7)	0.1281 (4)	0.0827 (17)
H35	0.0186	0.4260	0.1124	0.099*
C36	0.1279 (3)	0.4357 (5)	0.1336 (3)	0.0606 (13)
H36	0.1282	0.5232	0.1207	0.073*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
I1	0.0548 (2)	0.0512 (2)	0.05401 (18)	−0.00948 (15)	0.01999 (14)	0.00025 (14)
I2	0.0900 (3)	0.0682 (3)	0.0778 (2)	0.0428 (2)	0.0462 (2)	0.02054 (18)
Zn1	0.0440 (3)	0.0408 (3)	0.0365 (2)	0.0067 (2)	0.0155 (2)	0.0050 (2)
P1	0.0342 (6)	0.0367 (6)	0.0338 (5)	0.0021 (5)	0.0108 (4)	0.0012 (4)
P2	0.0373 (6)	0.0360 (6)	0.0301 (5)	0.0042 (5)	0.0143 (4)	0.0028 (4)
C1	0.033 (2)	0.042 (2)	0.0325 (19)	0.0069 (19)	0.0129 (16)	0.0010 (17)
C2	0.038 (2)	0.051 (3)	0.046 (2)	0.000 (2)	0.0125 (18)	0.000 (2)
C3	0.049 (3)	0.069 (4)	0.051 (3)	0.009 (3)	0.004 (2)	0.004 (2)
C4	0.066 (3)	0.067 (4)	0.044 (3)	0.032 (3)	0.006 (2)	0.010 (2)
C5	0.087 (4)	0.043 (3)	0.047 (3)	0.014 (3)	0.017 (3)	0.007 (2)
C6	0.058 (3)	0.046 (3)	0.041 (2)	0.002 (2)	0.010 (2)	−0.001 (2)
C7	0.039 (2)	0.032 (2)	0.039 (2)	−0.0024 (18)	0.0127 (17)	−0.0054 (17)
C8	0.039 (3)	0.053 (3)	0.049 (2)	0.002 (2)	0.0120 (19)	−0.009 (2)
C9	0.038 (3)	0.064 (3)	0.078 (3)	0.006 (2)	0.015 (2)	−0.018 (3)
C10	0.052 (3)	0.053 (3)	0.089 (4)	−0.011 (3)	0.041 (3)	−0.024 (3)
C11	0.070 (4)	0.054 (3)	0.057 (3)	−0.011 (3)	0.039 (3)	−0.012 (2)
C12	0.048 (3)	0.041 (3)	0.044 (2)	−0.004 (2)	0.0175 (19)	−0.0059 (19)
C13	0.042 (3)	0.041 (2)	0.0280 (19)	−0.002 (2)	0.0048 (16)	0.0024 (17)
C14	0.046 (3)	0.060 (3)	0.039 (2)	−0.006 (2)	0.0080 (19)	0.005 (2)
C15	0.057 (3)	0.092 (5)	0.047 (3)	−0.032 (3)	0.003 (2)	0.020 (3)
C16	0.086 (5)	0.053 (4)	0.056 (3)	−0.029 (3)	−0.012 (3)	0.014 (3)
C17	0.085 (4)	0.046 (3)	0.066 (3)	−0.009 (3)	0.004 (3)	−0.006 (3)
C18	0.058 (3)	0.043 (3)	0.054 (3)	−0.007 (2)	0.010 (2)	−0.002 (2)
C19	0.038 (2)	0.035 (2)	0.0320 (19)	0.0036 (18)	0.0178 (16)	0.0016 (17)
C20	0.052 (3)	0.036 (2)	0.041 (2)	0.013 (2)	0.0166 (19)	0.0041 (18)
C21	0.063 (3)	0.039 (3)	0.051 (3)	0.002 (2)	0.021 (2)	−0.008 (2)
C22	0.060 (3)	0.059 (3)	0.033 (2)	−0.006 (2)	0.0180 (19)	−0.007 (2)
C23	0.074 (3)	0.047 (3)	0.034 (2)	0.006 (2)	0.016 (2)	0.011 (2)
C24	0.077 (3)	0.035 (2)	0.037 (2)	0.002 (2)	0.021 (2)	−0.0003 (19)
C25	0.039 (2)	0.034 (2)	0.0282 (18)	0.0010 (18)	0.0150 (16)	0.0037 (16)
C26	0.047 (3)	0.045 (3)	0.051 (2)	0.002 (2)	0.023 (2)	−0.006 (2)
C27	0.044 (3)	0.078 (4)	0.060 (3)	0.011 (3)	0.022 (2)	−0.004 (3)
C28	0.061 (3)	0.070 (4)	0.053 (3)	0.025 (3)	0.024 (2)	−0.007 (3)
C29	0.076 (4)	0.046 (3)	0.045 (2)	0.013 (3)	0.022 (2)	−0.011 (2)
C30	0.051 (3)	0.049 (3)	0.038 (2)	0.006 (2)	0.0133 (19)	−0.003 (2)
C31	0.041 (2)	0.052 (3)	0.0289 (19)	0.000 (2)	0.0168 (16)	0.0021 (18)
C32	0.057 (3)	0.058 (3)	0.058 (3)	0.001 (2)	0.028 (2)	0.019 (2)
C33	0.083 (4)	0.075 (4)	0.080 (4)	−0.020 (3)	0.045 (3)	0.018 (3)
C34	0.067 (4)	0.097 (5)	0.099 (4)	−0.027 (4)	0.047 (3)	−0.011 (4)
C35	0.055 (4)	0.094 (5)	0.113 (5)	0.006 (3)	0.047 (3)	−0.004 (4)
C36	0.055 (3)	0.059 (3)	0.075 (3)	0.002 (3)	0.032 (3)	−0.004 (3)

Geometric parameters (Å, º)

I1—Zn1	2.5678 (6)	C16—H16	0.9300
I2—Zn1	2.5745 (6)	C16—C17	1.351 (8)
Zn1—P1	2.5052 (11)	C17—H17	0.9300
Zn1—P2	2.4659 (11)	C17—C18	1.383 (7)
P1—C1	1.818 (4)	C18—H18	0.9300
P1—C7	1.818 (4)	C19—C20	1.367 (5)
P1—C13	1.815 (4)	C19—C24	1.396 (5)
P2—C19	1.822 (3)	C20—H20	0.9300
P2—C25	1.816 (4)	C20—C21	1.392 (5)
P2—C31	1.821 (4)	C21—H21	0.9300
C1—C2	1.384 (5)	C21—C22	1.368 (6)
C1—C6	1.386 (6)	C22—H22	0.9300
C2—H2	0.9300	C22—C23	1.364 (6)
C2—C3	1.375 (6)	C23—H23	0.9300
C3—H3	0.9300	C23—C24	1.379 (5)
C3—C4	1.367 (7)	C24—H24	0.9300
C4—H4	0.9300	C25—C26	1.385 (6)
C4—C5	1.368 (7)	C25—C30	1.390 (5)
C5—H5	0.9300	C26—H26	0.9300
C5—C6	1.381 (6)	C26—C27	1.381 (6)
C6—H6	0.9300	C27—H27	0.9300
C7—C8	1.391 (5)	C27—C28	1.373 (7)
C7—C12	1.391 (5)	C28—H28	0.9300
C8—H8	0.9300	C28—C29	1.369 (7)
C8—C9	1.375 (6)	C29—H29	0.9300
C9—H9	0.9300	C29—C30	1.379 (6)
C9—C10	1.374 (7)	C30—H30	0.9300
C10—H10	0.9300	C31—C32	1.388 (6)
C10—C11	1.371 (6)	C31—C36	1.382 (6)
C11—H11	0.9300	C32—H32	0.9300
C11—C12	1.378 (6)	C32—C33	1.377 (7)
C12—H12	0.9300	C33—H33	0.9300
C13—C14	1.379 (6)	C33—C34	1.383 (8)
C13—C18	1.396 (6)	C34—H34	0.9300
C14—H14	0.9300	C34—C35	1.360 (8)
C14—C15	1.386 (7)	C35—H35	0.9300
C15—H15	0.9300	C35—C36	1.375 (7)
C15—C16	1.373 (8)	C36—H36	0.9300
I1—Zn1—I2	113.39 (2)	C15—C16—H16	119.7
P1—Zn1—I1	109.06 (3)	C17—C16—C15	120.7 (5)
P1—Zn1—I2	109.13 (3)	C17—C16—H16	119.7
P2—Zn1—I1	105.12 (3)	C16—C17—H17	119.7
P2—Zn1—I2	113.03 (3)	C16—C17—C18	120.7 (6)
P2—Zn1—P1	106.81 (4)	C18—C17—H17	119.7
C1—P1—Zn1	112.95 (13)	C13—C18—H18	120.1
C7—P1—Zn1	116.71 (12)	C17—C18—C13	119.7 (5)
C7—P1—C1	103.76 (17)	C17—C18—H18	120.1
C13—P1—Zn1	112.74 (12)	C20—C19—P2	121.0 (3)
C13—P1—C1	105.19 (18)	C20—C19—C24	118.8 (3)
C13—P1—C7	104.34 (19)	C24—C19—P2	120.2 (3)
C19—P2—Zn1	114.73 (13)	C19—C20—H20	119.7
C25—P2—Zn1	109.66 (12)	C19—C20—C21	120.5 (4)
C25—P2—C19	103.41 (16)	C21—C20—H20	119.7
C25—P2—C31	106.98 (19)	C20—C21—H21	119.9
C31—P2—Zn1	116.89 (13)	C22—C21—C20	120.2 (4)
C31—P2—C19	104.06 (17)	C22—C21—H21	119.9
C2—C1—P1	122.6 (3)	C21—C22—H22	120.1
C2—C1—C6	118.7 (4)	C23—C22—C21	119.8 (4)
C6—C1—P1	118.5 (3)	C23—C22—H22	120.1
C1—C2—H2	120.0	C22—C23—H23	119.7
C3—C2—C1	120.1 (4)	C22—C23—C24	120.5 (4)
C3—C2—H2	120.0	C24—C23—H23	119.7
C2—C3—H3	119.6	C19—C24—H24	119.9
C4—C3—C2	120.8 (4)	C23—C24—C19	120.2 (4)
C4—C3—H3	119.6	C23—C24—H24	119.9
C3—C4—H4	120.0	C26—C25—P2	119.3 (3)
C3—C4—C5	120.0 (4)	C26—C25—C30	118.2 (4)
C5—C4—H4	120.0	C30—C25—P2	122.4 (3)
C4—C5—H5	120.0	C25—C26—H26	119.6
C4—C5—C6	119.9 (5)	C27—C26—C25	120.8 (4)
C6—C5—H5	120.0	C27—C26—H26	119.6
C1—C6—H6	119.7	C26—C27—H27	120.0
C5—C6—C1	120.6 (4)	C28—C27—C26	120.0 (5)
C5—C6—H6	119.7	C28—C27—H27	120.0
C8—C7—P1	118.8 (3)	C27—C28—H28	120.0
C8—C7—C12	118.7 (4)	C29—C28—C27	120.0 (4)
C12—C7—P1	122.4 (3)	C29—C28—H28	120.0
C7—C8—H8	120.1	C28—C29—H29	119.9
C9—C8—C7	119.7 (4)	C28—C29—C30	120.2 (4)
C9—C8—H8	120.1	C30—C29—H29	119.9
C8—C9—H9	119.6	C25—C30—H30	119.7
C10—C9—C8	120.8 (4)	C29—C30—C25	120.7 (4)
C10—C9—H9	119.6	C29—C30—H30	119.7
C9—C10—H10	119.8	C32—C31—P2	123.4 (3)
C11—C10—C9	120.3 (5)	C36—C31—P2	118.1 (4)
C11—C10—H10	119.8	C36—C31—C32	118.5 (4)
C10—C11—H11	120.3	C31—C32—H32	119.7
C10—C11—C12	119.4 (4)	C33—C32—C31	120.6 (5)
C12—C11—H11	120.3	C33—C32—H32	119.7
C7—C12—H12	119.5	C32—C33—H33	119.8
C11—C12—C7	121.1 (4)	C32—C33—C34	120.3 (5)
C11—C12—H12	119.5	C34—C33—H33	119.8
C14—C13—P1	118.9 (3)	C33—C34—H34	120.6
C14—C13—C18	118.8 (4)	C35—C34—C33	118.8 (6)
C18—C13—P1	122.2 (4)	C35—C34—H34	120.6
C13—C14—H14	119.7	C34—C35—H35	119.1
C13—C14—C15	120.6 (5)	C34—C35—C36	121.7 (6)
C15—C14—H14	119.7	C36—C35—H35	119.1
C14—C15—H15	120.2	C31—C36—H36	120.0
C16—C15—C14	119.5 (5)	C35—C36—C31	120.0 (5)
C16—C15—H15	120.2	C35—C36—H36	120.0

Diiodidobis[tris(4-methylphenyl)phosphane-κP]zinc(II) (2)

Crystal data

[ZnI2(C21H21P2)2]	Dx = 1.487 Mg m^−3
Mr = 927.86	Mo Kα radiation, λ = 0.71073 Å
Orthorhombic, F2dd	Cell parameters from 3600 reflections
a = 11.3104 (8) Å	θ = 3.0–29.5°
b = 19.3208 (11) Å	µ = 2.19 mm^−1
c = 37.933 (2) Å	T = 293 K
V = 8289.4 (9) Å^3	Block, colourless
Z = 8	0.15 × 0.1 × 0.08 mm
F(000) = 3680

Data collection

Xcalibur, Atlas, Gemini ultra diffractometer	4060 independent reflections
Radiation source: Enhance (Mo) X-ray Source	2837 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.051
Detector resolution: 10.3592 pixels mm^-1	θmax = 26.0°, θmin = 3.0°
ω scans	h = −13→13
Absorption correction: multi-scan (CrysAlis PRO; Agilent, 2011)	k = −23→18
Tmin = 0.668, Tmax = 1.000	l = −46→41
13264 measured reflections

Refinement

Refinement on F^2	Hydrogen site location: inferred from neighbouring sites
Least-squares matrix: full	H-atom parameters constrained
R[F^2 > 2σ(F^2)] = 0.045	w = 1/[σ^2(Fo^2) + (0.049P)^2] where P = (Fo^2 + 2Fc^2)/3
wR(F^2) = 0.105	(Δ/σ)max < 0.001
S = 1.00	Δρmax = 0.84 e Å^−3
4060 reflections	Δρmin = −0.56 e Å^−3
216 parameters	Absolute structure: Flack x determined using 1057 quotients [(I+)-(I-)]/[(I+)+(I-)] (Parsons et al., 2013)
1 restraint	Absolute structure parameter: −0.024 (15)
Primary atom site location: heavy-atom method

Special details

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

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

	x	y	z	Uiso*/Ueq
I1	−0.05831 (7)	0.13657 (4)	0.25109 (2)	0.0894 (3)
Zn1	0.06036 (11)	0.2500	0.2500	0.0456 (3)
P1	0.17971 (19)	0.24825 (10)	0.30435 (5)	0.0426 (5)
C1	0.2372 (7)	0.3311 (4)	0.3184 (2)	0.044 (2)
C2	0.2798 (7)	0.3772 (4)	0.2936 (2)	0.046 (2)
H2	0.2803	0.3643	0.2700	0.055*
C3	0.3214 (8)	0.4419 (4)	0.3029 (2)	0.054 (2)
H3	0.3500	0.4714	0.2855	0.065*
C4	0.3213 (9)	0.4631 (5)	0.3374 (3)	0.063 (3)
C5	0.2800 (11)	0.4170 (5)	0.3624 (2)	0.082 (3)
H5	0.2801	0.4297	0.3861	0.098*
C6	0.2388 (10)	0.3526 (5)	0.3530 (2)	0.071 (3)
H6	0.2114	0.3228	0.3704	0.085*
C7	0.3637 (12)	0.5342 (5)	0.3477 (3)	0.093 (4)
H7A	0.4352	0.5302	0.3612	0.139*
H7B	0.3043	0.5568	0.3616	0.139*
H7C	0.3788	0.5609	0.3268	0.139*
C8	0.0985 (8)	0.2159 (4)	0.34195 (19)	0.0444 (19)
C9	−0.0219 (9)	0.2276 (5)	0.3439 (2)	0.060 (2)
H9	−0.0601	0.2498	0.3254	0.072*
C10	−0.0867 (9)	0.2069 (5)	0.3731 (3)	0.067 (2)
H10	−0.1678	0.2147	0.3739	0.080*
C11	−0.0311 (10)	0.1750 (5)	0.4009 (2)	0.064 (3)
C12	0.0881 (10)	0.1627 (5)	0.3990 (2)	0.063 (3)
H12	0.1264	0.1403	0.4174	0.075*
C13	0.1508 (8)	0.1830 (4)	0.3700 (2)	0.054 (2)
H13	0.2316	0.1742	0.3692	0.065*
C14	−0.1042 (12)	0.1510 (8)	0.4332 (3)	0.115 (5)
H14A	−0.0901	0.1027	0.4373	0.172*
H14B	−0.1868	0.1582	0.4286	0.172*
H14C	−0.0811	0.1771	0.4535	0.172*
C15	0.3061 (8)	0.1912 (4)	0.30042 (18)	0.0445 (18)
C16	0.2885 (8)	0.1201 (4)	0.3016 (2)	0.053 (2)
H16	0.2136	0.1022	0.3060	0.063*
C17	0.3842 (10)	0.0758 (4)	0.2963 (2)	0.061 (3)
H17	0.3714	0.0283	0.2977	0.074*
C18	0.4952 (9)	0.0987 (5)	0.2890 (2)	0.059 (2)
C19	0.5104 (9)	0.1690 (5)	0.2874 (2)	0.063 (3)
H19	0.5849	0.1866	0.2821	0.076*
C20	0.4178 (9)	0.2149 (5)	0.2933 (2)	0.054 (2)
H20	0.4319	0.2623	0.2925	0.065*
C21	0.5961 (11)	0.0496 (6)	0.2833 (3)	0.100 (4)
H21A	0.6033	0.0195	0.3033	0.149*
H21B	0.6680	0.0753	0.2804	0.149*
H21C	0.5815	0.0225	0.2626	0.149*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
I1	0.1128 (6)	0.0890 (5)	0.0665 (4)	−0.0575 (4)	0.0033 (4)	−0.0049 (4)
Zn1	0.0512 (8)	0.0439 (8)	0.0416 (7)	0.000	0.000	0.0004 (6)
P1	0.0507 (13)	0.0377 (11)	0.0395 (11)	0.0023 (10)	0.0007 (10)	0.0020 (8)
C1	0.052 (5)	0.041 (5)	0.041 (4)	0.008 (4)	−0.004 (4)	0.002 (3)
C2	0.050 (5)	0.045 (5)	0.043 (4)	0.002 (4)	−0.002 (4)	−0.002 (3)
C3	0.069 (6)	0.038 (5)	0.056 (5)	0.000 (4)	−0.004 (5)	0.012 (4)
C4	0.071 (7)	0.043 (5)	0.074 (6)	0.001 (5)	−0.011 (5)	−0.005 (5)
C5	0.132 (10)	0.065 (7)	0.048 (5)	−0.016 (7)	−0.011 (6)	−0.017 (5)
C6	0.104 (8)	0.067 (6)	0.041 (5)	−0.010 (6)	0.014 (5)	0.003 (5)
C7	0.118 (10)	0.046 (6)	0.113 (9)	−0.004 (6)	−0.027 (8)	−0.016 (6)
C8	0.062 (6)	0.037 (4)	0.034 (4)	0.000 (4)	0.006 (4)	0.001 (3)
C9	0.066 (7)	0.063 (6)	0.051 (5)	0.010 (5)	0.009 (5)	0.000 (4)
C10	0.048 (6)	0.093 (7)	0.060 (6)	0.003 (5)	0.006 (5)	−0.008 (5)
C11	0.071 (7)	0.069 (6)	0.052 (6)	−0.018 (5)	0.022 (5)	−0.003 (4)
C12	0.091 (8)	0.057 (6)	0.040 (5)	0.004 (5)	0.008 (5)	0.007 (4)
C13	0.045 (6)	0.062 (5)	0.056 (6)	0.011 (5)	0.008 (4)	0.007 (4)
C14	0.106 (11)	0.174 (13)	0.063 (7)	−0.029 (10)	0.032 (7)	0.009 (8)
C15	0.057 (5)	0.041 (4)	0.035 (4)	−0.002 (4)	−0.006 (4)	0.003 (3)
C16	0.058 (6)	0.044 (5)	0.055 (5)	0.006 (4)	0.009 (4)	0.003 (4)
C17	0.089 (8)	0.043 (5)	0.053 (5)	0.014 (5)	0.001 (5)	0.007 (4)
C18	0.065 (7)	0.063 (6)	0.050 (5)	0.016 (5)	0.002 (4)	0.011 (4)
C19	0.054 (6)	0.074 (7)	0.062 (5)	−0.001 (5)	0.008 (5)	0.008 (5)
C20	0.063 (6)	0.044 (5)	0.057 (5)	0.002 (5)	0.006 (5)	0.001 (4)
C21	0.083 (8)	0.094 (9)	0.122 (10)	0.037 (7)	0.002 (8)	0.008 (7)

Geometric parameters (Å, º)

I1—Zn1	2.5702 (9)	C10—H10	0.9300
Zn1—I1^i	2.5703 (9)	C10—C11	1.374 (13)
Zn1—P1^i	2.465 (2)	C11—C12	1.372 (14)
Zn1—P1	2.465 (2)	C11—C14	1.548 (13)
P1—C1	1.809 (8)	C12—H12	0.9300
P1—C8	1.808 (8)	C12—C13	1.365 (12)
P1—C15	1.811 (9)	C13—H13	0.9300
C1—C2	1.384 (11)	C14—H14A	0.9600
C1—C6	1.375 (11)	C14—H14B	0.9600
C2—H2	0.9300	C14—H14C	0.9600
C2—C3	1.381 (11)	C15—C16	1.389 (10)
C3—H3	0.9300	C15—C20	1.371 (13)
C3—C4	1.373 (11)	C16—H16	0.9300
C4—C5	1.384 (13)	C16—C17	1.395 (12)
C4—C7	1.507 (14)	C17—H17	0.9300
C5—H5	0.9300	C17—C18	1.359 (14)
C5—C6	1.375 (13)	C18—C19	1.370 (13)
C6—H6	0.9300	C18—C21	1.501 (13)
C7—H7A	0.9600	C19—H19	0.9300
C7—H7B	0.9600	C19—C20	1.390 (13)
C7—H7C	0.9600	C20—H20	0.9300
C8—C9	1.382 (13)	C21—H21A	0.9600
C8—C13	1.373 (11)	C21—H21B	0.9600
C9—H9	0.9300	C21—H21C	0.9600
C9—C10	1.387 (13)
I1—Zn1—I1^i	117.04 (7)	C9—C10—H10	120.0
P1^i—Zn1—I1^i	105.12 (5)	C11—C10—C9	120.1 (9)
P1—Zn1—I1	105.12 (5)	C11—C10—H10	120.0
P1^i—Zn1—I1	108.13 (5)	C10—C11—C14	119.8 (10)
P1—Zn1—I1^i	108.13 (5)	C12—C11—C10	119.1 (8)
P1—Zn1—P1^i	113.58 (11)	C12—C11—C14	121.1 (10)
C1—P1—Zn1	115.6 (3)	C11—C12—H12	119.9
C1—P1—C15	106.2 (4)	C13—C12—C11	120.3 (9)
C8—P1—Zn1	112.7 (3)	C13—C12—H12	119.9
C8—P1—C1	104.8 (4)	C8—C13—H13	118.9
C8—P1—C15	104.8 (4)	C12—C13—C8	122.2 (8)
C15—P1—Zn1	111.8 (2)	C12—C13—H13	118.9
C2—C1—P1	119.6 (6)	C11—C14—H14A	109.5
C6—C1—P1	123.6 (7)	C11—C14—H14B	109.5
C6—C1—C2	116.8 (8)	C11—C14—H14C	109.5
C1—C2—H2	119.1	H14A—C14—H14B	109.5
C3—C2—C1	121.8 (7)	H14A—C14—H14C	109.5
C3—C2—H2	119.1	H14B—C14—H14C	109.5
C2—C3—H3	119.6	C16—C15—P1	119.1 (7)
C4—C3—C2	120.9 (8)	C20—C15—P1	122.7 (6)
C4—C3—H3	119.6	C20—C15—C16	118.0 (8)
C3—C4—C5	117.6 (8)	C15—C16—H16	120.3
C3—C4—C7	121.3 (9)	C15—C16—C17	119.4 (9)
C5—C4—C7	121.1 (9)	C17—C16—H16	120.3
C4—C5—H5	119.4	C16—C17—H17	118.5
C6—C5—C4	121.2 (8)	C18—C17—C16	123.1 (9)
C6—C5—H5	119.4	C18—C17—H17	118.5
C1—C6—C5	121.7 (8)	C17—C18—C19	116.6 (8)
C1—C6—H6	119.2	C17—C18—C21	121.7 (9)
C5—C6—H6	119.2	C19—C18—C21	121.7 (9)
C4—C7—H7A	109.5	C18—C19—H19	119.0
C4—C7—H7B	109.5	C18—C19—C20	122.0 (9)
C4—C7—H7C	109.5	C20—C19—H19	119.0
H7A—C7—H7B	109.5	C15—C20—C19	120.9 (8)
H7A—C7—H7C	109.5	C15—C20—H20	119.6
H7B—C7—H7C	109.5	C19—C20—H20	119.6
C9—C8—P1	119.1 (6)	C18—C21—H21A	109.5
C13—C8—P1	123.5 (7)	C18—C21—H21B	109.5
C13—C8—C9	117.3 (7)	C18—C21—H21C	109.5
C8—C9—H9	119.5	H21A—C21—H21B	109.5
C8—C9—C10	121.1 (9)	H21A—C21—H21C	109.5
C10—C9—H9	119.5	H21B—C21—H21C	109.5

Symmetry code: (i) x, −y+1/2, −z+1/2.

[Bis(diphenylphosphoryl)methane-κ²O,O']zinc(II) tetraiodidozinc(II) (3)

Crystal data

[Zn(C25H22O2P2)3][ZnI4]	F(000) = 3704
Mr = 1887.43	Dx = 1.658 Mg m^−3
Monoclinic, P21/c	Mo Kα radiation, λ = 0.71073 Å
a = 18.9820 (9) Å	Cell parameters from 7266 reflections
b = 15.9507 (6) Å	θ = 2.9–29.5°
c = 24.9714 (10) Å	µ = 2.44 mm^−1
β = 90.352 (4)°	T = 293 K
V = 7560.6 (5) Å^3	Block, colourless
Z = 4	0.35 × 0.15 × 0.12 mm

Data collection

Xcalibur, Atlas, Gemini ultra diffractometer	13277 independent reflections
Radiation source: Enhance (Mo) X-ray Source	7819 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.080
Detector resolution: 10.3592 pixels mm^-1	θmax = 25.0°, θmin = 2.9°
ω scans	h = −22→18
Absorption correction: multi-scan (CrysAlis PRO; Agilent, 2011)	k = −18→18
Tmin = 0.687, Tmax = 1.000	l = −29→29
48068 measured reflections

Refinement

Refinement on F^2	0 restraints
Least-squares matrix: full	Hydrogen site location: mixed
R[F^2 > 2σ(F^2)] = 0.051	H atoms treated by a mixture of independent and constrained refinement
wR(F^2) = 0.096	w = 1/[σ^2(Fo^2) + (0.0202P)^2] where P = (Fo^2 + 2Fc^2)/3
S = 0.96	(Δ/σ)max = 0.001
13277 reflections	Δρmax = 1.18 e Å^−3
841 parameters	Δρmin = −0.81 e Å^−3

Special details

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

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

	x	y	z	Uiso*/Ueq
Zn1	0.24189 (4)	0.70729 (3)	0.20386 (2)	0.03087 (17)
I2	−0.30832 (3)	0.65882 (3)	0.05833 (2)	0.07296 (18)
I3	−0.18451 (3)	0.86842 (3)	0.07845 (2)	0.06809 (16)
I4	−0.32969 (3)	0.87680 (3)	−0.05303 (2)	0.07159 (17)
I1	−0.16081 (3)	0.70669 (3)	−0.06436 (2)	0.07933 (19)
Zn2	−0.24613 (4)	0.77694 (4)	0.00368 (3)	0.0458 (2)
P2	0.35279 (9)	0.86097 (9)	0.17718 (5)	0.0329 (4)
P5	0.12990 (9)	0.56041 (9)	0.16890 (6)	0.0344 (4)
P4	0.31767 (9)	0.54971 (9)	0.26739 (6)	0.0357 (4)
P3	0.21599 (9)	0.65642 (9)	0.32846 (5)	0.0334 (4)
P1	0.19651 (9)	0.89468 (9)	0.16276 (6)	0.0344 (4)
P6	0.24626 (9)	0.60595 (9)	0.09088 (6)	0.0377 (4)
O1	0.1841 (2)	0.8161 (2)	0.19347 (13)	0.0385 (10)
O3	0.2356 (2)	0.7199 (2)	0.28690 (13)	0.0364 (10)
O6	0.2455 (2)	0.6880 (2)	0.12026 (13)	0.0387 (10)
O5	0.1526 (2)	0.6311 (2)	0.20417 (13)	0.0382 (10)
C64	0.2022 (4)	0.6162 (3)	0.0273 (2)	0.0420 (16)
O4	0.3046 (2)	0.5978 (2)	0.21662 (13)	0.0364 (10)
C38	0.2411 (3)	0.5509 (3)	0.3095 (2)	0.0331 (14)
H38A	0.2507	0.5185	0.3416	0.040*
H38B	0.2021	0.5246	0.2907	0.040*
O2	0.3339 (2)	0.7768 (2)	0.19890 (14)	0.0389 (10)
C26	0.1238 (4)	0.6534 (4)	0.3400 (2)	0.0433 (16)
C14	0.3684 (3)	0.9340 (3)	0.2303 (2)	0.0374 (15)
C70	0.3340 (4)	0.5670 (4)	0.0811 (2)	0.0460 (17)
C22	0.4984 (5)	0.8897 (4)	0.0600 (3)	0.066 (2)
H22	0.5035	0.9189	0.0280	0.079*
C1	0.1367 (3)	0.9033 (3)	0.1072 (2)	0.0387 (15)
C20	0.4301 (3)	0.8563 (3)	0.1367 (2)	0.0378 (15)
C63	0.2004 (3)	0.5242 (3)	0.1279 (2)	0.0366 (14)
H63A	0.1818	0.4837	0.1025	0.044*
H63B	0.2343	0.4952	0.1505	0.044*
C13	0.2829 (3)	0.8990 (3)	0.1337 (2)	0.0376 (15)
H13A	0.2931	0.9566	0.1240	0.045*
H13B	0.2828	0.8661	0.1011	0.045*
C32	0.2610 (3)	0.6769 (3)	0.3908 (2)	0.0355 (14)
C57	0.0555 (3)	0.5873 (3)	0.1290 (2)	0.0378 (15)
C2	0.1468 (4)	0.9590 (4)	0.0647 (2)	0.0581 (19)
H2	0.1852	0.9952	0.0649	0.070*
C39	0.3877 (3)	0.5927 (3)	0.3058 (2)	0.0378 (15)
C7	0.1879 (3)	0.9849 (3)	0.2054 (2)	0.0403 (15)
C45	0.3341 (3)	0.4413 (3)	0.2520 (2)	0.0437 (16)
C34	0.2983 (5)	0.6363 (4)	0.4780 (3)	0.073 (2)
H34	0.2991	0.5968	0.5054	0.087*
C62	0.0124 (4)	0.6511 (4)	0.1451 (3)	0.0548 (18)
H62	0.0247	0.6824	0.1752	0.066*
C8	0.2026 (4)	1.0643 (4)	0.1884 (3)	0.064 (2)
H8	0.2170	1.0730	0.1533	0.076*
C21	0.4382 (4)	0.8991 (4)	0.0894 (2)	0.0484 (17)
H21	0.4027	0.9347	0.0773	0.058*
C33	0.2617 (4)	0.6196 (4)	0.4323 (2)	0.0551 (19)
H33	0.2370	0.5695	0.4289	0.066*
C65	0.2098 (4)	0.5555 (4)	−0.0113 (3)	0.067 (2)
H65	0.2378	0.5086	−0.0049	0.080*
C71	0.3896 (4)	0.6207 (5)	0.0906 (3)	0.0612 (19)
H71	0.3813	0.6751	0.1024	0.073*
C24	0.5449 (4)	0.7983 (5)	0.1253 (3)	0.074 (2)
H24	0.5818	0.7656	0.1382	0.088*
C37	0.2959 (4)	0.7514 (4)	0.3968 (2)	0.0512 (18)
H37	0.2957	0.7905	0.3692	0.061*
C5	0.0349 (4)	0.8506 (4)	0.0620 (3)	0.066 (2)
H5	−0.0025	0.8131	0.0608	0.079*
C29	−0.0195 (5)	0.6512 (7)	0.3590 (4)	0.087 (3)
H29	−0.0675	0.6515	0.3663	0.105*
C40	0.4145 (4)	0.6691 (4)	0.2909 (3)	0.0579 (19)
H40	0.3984	0.6942	0.2595	0.070*
C69	0.1633 (4)	0.6856 (4)	0.0164 (3)	0.060 (2)
H69	0.1601	0.7280	0.0418	0.072*
C61	−0.0481 (4)	0.6699 (4)	0.1179 (3)	0.069 (2)
H61	−0.0768	0.7131	0.1299	0.082*
C25	0.4846 (4)	0.8065 (4)	0.1545 (3)	0.0591 (19)
H25	0.4804	0.7781	0.1869	0.071*
C43	0.4642 (4)	0.5966 (5)	0.3829 (3)	0.067 (2)
H43	0.4814	0.5714	0.4139	0.081*
C6	0.0806 (4)	0.8496 (4)	0.1048 (3)	0.0526 (18)
H6	0.0734	0.8118	0.1325	0.063*
C15	0.3415 (5)	0.9167 (4)	0.2796 (2)	0.077 (3)
H15	0.3159	0.8677	0.2850	0.092*
C75	0.3474 (4)	0.4841 (4)	0.0655 (3)	0.063 (2)
H75	0.3104	0.4467	0.0601	0.076*
C41	0.4652 (4)	0.7094 (4)	0.3218 (3)	0.072 (2)
H41	0.4830	0.7610	0.3110	0.087*
C42	0.4889 (4)	0.6728 (5)	0.3683 (3)	0.069 (2)
H42	0.5219	0.7002	0.3897	0.083*
C31	0.0923 (4)	0.5878 (4)	0.3668 (3)	0.065 (2)
H31	0.1198	0.5434	0.3792	0.078*
C18	0.4166 (5)	1.0617 (4)	0.2649 (3)	0.082 (3)
H18	0.4413	1.1113	0.2598	0.098*
C27	0.0830 (4)	0.7173 (4)	0.3215 (3)	0.065 (2)
H27	0.1034	0.7612	0.3027	0.078*
C11	0.1589 (6)	1.0404 (5)	0.2911 (3)	0.106 (4)
H11	0.1426	1.0323	0.3258	0.128*
C4	0.0440 (4)	0.9049 (5)	0.0223 (3)	0.069 (2)
H4	0.0120	0.9053	−0.0060	0.083*
C49	0.3697 (5)	0.3411 (5)	0.1860 (3)	0.093 (3)
H49	0.3884	0.3296	0.1524	0.112*
C44	0.4139 (4)	0.5558 (4)	0.3525 (2)	0.0547 (19)
H44	0.3974	0.5035	0.3631	0.066*
C50	0.3616 (4)	0.4228 (4)	0.2029 (3)	0.065 (2)
H50	0.3750	0.4663	0.1804	0.077*
C3	0.0989 (5)	0.9601 (5)	0.0220 (3)	0.072 (2)
H3	0.1043	0.9977	−0.0062	0.087*
C28	0.0105 (5)	0.7174 (6)	0.3308 (4)	0.099 (3)
H28	−0.0175	0.7612	0.3183	0.119*
C36	0.3320 (4)	0.7682 (4)	0.4444 (3)	0.071 (2)
H36	0.3548	0.8194	0.4488	0.086*
C16	0.3523 (6)	0.9719 (6)	0.3213 (3)	0.103 (3)
H16	0.3329	0.9608	0.3547	0.123*
C23	0.5508 (5)	0.8378 (5)	0.0772 (3)	0.072 (2)
H23	0.5905	0.8294	0.0563	0.086*
C17	0.3909 (5)	1.0421 (5)	0.3139 (3)	0.088 (3)
H17	0.4001	1.0774	0.3428	0.105*
C67	0.1357 (5)	0.6337 (5)	−0.0705 (3)	0.089 (3)
H67	0.1137	0.6396	−0.1036	0.106*
C66	0.1755 (5)	0.5651 (5)	−0.0595 (3)	0.088 (3)
H66	0.1797	0.5234	−0.0853	0.105*
C10	0.1763 (6)	1.1178 (5)	0.2739 (4)	0.099 (3)
H10	0.1745	1.1627	0.2976	0.119*
C46	0.3157 (4)	0.3769 (4)	0.2856 (3)	0.063 (2)
H46	0.2971	0.3883	0.3192	0.075*
C9	0.1964 (5)	1.1315 (4)	0.2224 (4)	0.086 (3)
H9	0.2058	1.1855	0.2104	0.103*
C35	0.3341 (4)	0.7108 (5)	0.4845 (3)	0.066 (2)
H35	0.3593	0.7215	0.5158	0.079*
C19	0.4055 (4)	1.0068 (4)	0.2224 (3)	0.070 (2)
H19	0.4232	1.0194	0.1887	0.084*
C68	0.1285 (5)	0.6939 (5)	−0.0320 (3)	0.080 (3)
H68	0.1002	0.7405	−0.0384	0.096*
C12	0.1656 (5)	0.9726 (4)	0.2561 (3)	0.076 (3)
H12	0.1547	0.9188	0.2677	0.091*
C58	0.0352 (4)	0.5426 (5)	0.0843 (3)	0.082 (3)
H58	0.0631	0.4986	0.0723	0.099*
C30	0.0207 (5)	0.5872 (6)	0.3755 (3)	0.082 (3)
H30	0.0002	0.5420	0.3930	0.099*
C47	0.3251 (5)	0.2947 (4)	0.2690 (4)	0.077 (2)
H47	0.3143	0.2510	0.2922	0.092*
C60	−0.0667 (5)	0.6260 (6)	0.0735 (3)	0.084 (3)
H60	−0.1073	0.6399	0.0545	0.100*
C48	0.3500 (5)	0.2774 (5)	0.2191 (4)	0.095 (3)
H48	0.3536	0.2220	0.2077	0.114*
C74	0.4160 (5)	0.4588 (6)	0.0581 (3)	0.084 (3)
H74	0.4255	0.4042	0.0472	0.101*
C72	0.4572 (5)	0.5934 (7)	0.0825 (3)	0.093 (3)
H72	0.4948	0.6299	0.0879	0.112*
C73	0.4696 (5)	0.5129 (7)	0.0665 (3)	0.098 (3)
H73	0.5157	0.4951	0.0613	0.117*
C59	−0.0257 (5)	0.5619 (7)	0.0572 (3)	0.109 (4)
H59	−0.0388	0.5307	0.0273	0.131*
C51	0.1022 (3)	0.4728 (3)	0.2095 (2)	0.0370 (15)
C52	0.1411 (5)	0.4034 (4)	0.2177 (3)	0.068 (2)
H52	0.178 (4)	0.388 (4)	0.198 (3)	0.082*
C56	0.0441 (5)	0.4843 (5)	0.2390 (3)	0.099 (3)
H56	0.0174	0.5326	0.2339	0.119*
C55	0.0228 (5)	0.4264 (6)	0.2766 (3)	0.103 (3)
H55	−0.0178	0.4351	0.2965	0.124*
C54	0.0618 (5)	0.3569 (5)	0.2839 (3)	0.082 (3)
H54	0.0478	0.3169	0.3087	0.099*
C53	0.1201 (6)	0.3450 (5)	0.2560 (4)	0.098 (3)
H53	0.1472	0.2973	0.2620	0.118*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Zn1	0.0349 (4)	0.0307 (3)	0.0270 (3)	0.0002 (3)	−0.0016 (3)	0.0006 (3)
I2	0.0954 (5)	0.0479 (3)	0.0760 (3)	−0.0002 (3)	0.0369 (3)	0.0019 (2)
I3	0.0789 (4)	0.0599 (3)	0.0653 (3)	0.0021 (3)	−0.0157 (3)	−0.0178 (2)
I4	0.0535 (4)	0.0877 (4)	0.0734 (3)	0.0034 (3)	−0.0081 (3)	0.0320 (3)
I1	0.0920 (5)	0.0759 (3)	0.0705 (3)	0.0068 (3)	0.0349 (3)	−0.0112 (3)
Zn2	0.0504 (5)	0.0453 (4)	0.0416 (4)	0.0034 (4)	0.0013 (4)	−0.0014 (3)
P2	0.0321 (10)	0.0359 (8)	0.0305 (8)	0.0001 (7)	0.0006 (7)	0.0020 (6)
P5	0.0367 (11)	0.0343 (8)	0.0322 (8)	−0.0022 (7)	0.0002 (7)	−0.0021 (6)
P4	0.0344 (11)	0.0365 (8)	0.0361 (9)	0.0083 (7)	−0.0050 (8)	0.0014 (7)
P3	0.0373 (10)	0.0358 (8)	0.0271 (8)	0.0023 (7)	−0.0009 (7)	0.0016 (6)
P1	0.0356 (10)	0.0353 (8)	0.0322 (8)	0.0058 (7)	0.0015 (7)	0.0035 (6)
P6	0.0410 (11)	0.0415 (9)	0.0306 (8)	−0.0009 (8)	0.0036 (8)	−0.0059 (7)
O1	0.040 (3)	0.035 (2)	0.041 (2)	0.0070 (19)	0.005 (2)	0.0055 (17)
O3	0.043 (3)	0.034 (2)	0.032 (2)	−0.0045 (19)	−0.0059 (19)	0.0056 (16)
O6	0.048 (3)	0.036 (2)	0.033 (2)	−0.0070 (19)	0.005 (2)	−0.0029 (16)
O5	0.036 (3)	0.040 (2)	0.038 (2)	−0.0084 (19)	0.0014 (19)	−0.0068 (17)
C64	0.049 (5)	0.041 (4)	0.036 (3)	−0.002 (3)	−0.004 (3)	−0.005 (3)
O4	0.041 (3)	0.036 (2)	0.032 (2)	0.0043 (19)	−0.0051 (19)	−0.0005 (16)
C38	0.033 (4)	0.037 (3)	0.029 (3)	0.002 (3)	−0.002 (3)	0.000 (2)
O2	0.034 (3)	0.036 (2)	0.047 (2)	−0.0020 (19)	−0.008 (2)	0.0042 (17)
C26	0.046 (5)	0.054 (4)	0.030 (3)	0.004 (3)	−0.003 (3)	−0.001 (3)
C14	0.032 (4)	0.046 (4)	0.034 (3)	−0.003 (3)	0.000 (3)	0.001 (3)
C70	0.050 (5)	0.058 (4)	0.030 (3)	0.011 (4)	0.006 (3)	−0.001 (3)
C22	0.087 (7)	0.069 (5)	0.041 (4)	0.005 (5)	0.022 (4)	0.008 (3)
C1	0.037 (4)	0.043 (3)	0.036 (3)	0.009 (3)	0.006 (3)	0.007 (3)
C20	0.033 (4)	0.046 (4)	0.035 (3)	−0.001 (3)	−0.009 (3)	−0.006 (3)
C63	0.036 (4)	0.041 (3)	0.032 (3)	0.004 (3)	−0.003 (3)	−0.002 (2)
C13	0.040 (4)	0.036 (3)	0.037 (3)	0.007 (3)	0.009 (3)	0.004 (2)
C32	0.031 (4)	0.044 (4)	0.031 (3)	0.001 (3)	0.002 (3)	−0.002 (3)
C57	0.034 (4)	0.041 (3)	0.039 (3)	−0.003 (3)	0.003 (3)	0.001 (3)
C2	0.044 (5)	0.072 (5)	0.059 (4)	0.002 (4)	−0.002 (4)	0.029 (4)
C39	0.029 (4)	0.040 (3)	0.044 (4)	0.008 (3)	−0.006 (3)	0.003 (3)
C7	0.037 (4)	0.040 (4)	0.044 (4)	0.007 (3)	0.006 (3)	−0.001 (3)
C45	0.041 (4)	0.045 (4)	0.045 (4)	0.011 (3)	0.000 (3)	0.005 (3)
C34	0.111 (8)	0.069 (5)	0.038 (4)	−0.009 (5)	−0.013 (4)	0.004 (3)
C62	0.053 (5)	0.049 (4)	0.061 (4)	0.005 (4)	−0.015 (4)	−0.004 (3)
C8	0.073 (6)	0.041 (4)	0.077 (5)	0.000 (4)	0.021 (4)	−0.009 (4)
C21	0.044 (5)	0.059 (4)	0.042 (4)	0.005 (3)	0.004 (3)	0.004 (3)
C33	0.080 (6)	0.053 (4)	0.032 (4)	−0.003 (4)	−0.007 (4)	−0.001 (3)
C65	0.088 (7)	0.058 (4)	0.053 (4)	0.012 (4)	−0.023 (4)	−0.008 (3)
C71	0.040 (5)	0.074 (5)	0.069 (5)	0.003 (4)	−0.005 (4)	−0.006 (4)
C24	0.044 (5)	0.101 (6)	0.076 (5)	0.031 (4)	0.005 (4)	0.004 (5)
C37	0.059 (5)	0.057 (4)	0.037 (4)	−0.001 (4)	−0.007 (3)	0.000 (3)
C5	0.054 (6)	0.073 (5)	0.069 (5)	0.001 (4)	−0.024 (4)	0.004 (4)
C29	0.031 (5)	0.136 (8)	0.094 (7)	0.009 (6)	0.007 (5)	−0.022 (6)
C40	0.035 (5)	0.073 (5)	0.065 (5)	0.000 (4)	−0.019 (4)	0.008 (4)
C69	0.066 (6)	0.067 (5)	0.047 (4)	0.014 (4)	−0.008 (4)	−0.002 (3)
C61	0.055 (6)	0.061 (5)	0.090 (6)	0.012 (4)	−0.011 (5)	0.019 (4)
C25	0.043 (5)	0.080 (5)	0.054 (4)	0.013 (4)	0.009 (4)	0.020 (4)
C43	0.074 (6)	0.079 (5)	0.048 (4)	0.014 (5)	−0.024 (4)	0.002 (4)
C6	0.052 (5)	0.053 (4)	0.052 (4)	0.005 (4)	0.003 (4)	0.006 (3)
C15	0.115 (8)	0.077 (5)	0.038 (4)	−0.034 (5)	0.013 (4)	−0.010 (4)
C75	0.043 (5)	0.083 (5)	0.063 (5)	0.015 (4)	0.003 (4)	−0.015 (4)
C41	0.057 (6)	0.061 (5)	0.099 (6)	−0.004 (4)	−0.023 (5)	0.007 (4)
C42	0.045 (5)	0.075 (5)	0.087 (6)	−0.003 (4)	−0.019 (4)	−0.015 (4)
C31	0.054 (6)	0.084 (5)	0.056 (4)	0.007 (4)	0.004 (4)	0.022 (4)
C18	0.085 (7)	0.063 (5)	0.097 (6)	−0.032 (5)	0.009 (5)	−0.032 (5)
C27	0.044 (5)	0.060 (5)	0.089 (5)	0.013 (4)	−0.003 (4)	0.008 (4)
C11	0.192 (12)	0.086 (6)	0.041 (5)	0.037 (7)	0.020 (6)	−0.009 (4)
C4	0.055 (6)	0.095 (6)	0.058 (5)	0.012 (5)	−0.028 (4)	0.009 (4)
C49	0.130 (9)	0.062 (5)	0.087 (6)	0.035 (6)	0.018 (6)	−0.022 (5)
C44	0.062 (5)	0.050 (4)	0.052 (4)	0.000 (4)	−0.017 (4)	0.007 (3)
C50	0.071 (6)	0.062 (5)	0.061 (5)	0.026 (4)	0.017 (4)	0.006 (3)
C3	0.057 (6)	0.104 (6)	0.055 (5)	0.014 (5)	−0.003 (4)	0.036 (4)
C28	0.065 (7)	0.104 (7)	0.127 (8)	0.042 (6)	−0.015 (6)	−0.002 (6)
C36	0.084 (7)	0.066 (5)	0.063 (5)	−0.022 (4)	−0.018 (5)	−0.015 (4)
C16	0.149 (11)	0.113 (7)	0.046 (5)	−0.040 (7)	0.022 (5)	−0.012 (5)
C23	0.061 (6)	0.084 (5)	0.072 (6)	0.009 (5)	0.025 (5)	−0.005 (4)
C17	0.115 (9)	0.085 (6)	0.064 (6)	−0.019 (6)	−0.001 (5)	−0.028 (4)
C67	0.123 (9)	0.091 (6)	0.051 (5)	−0.021 (6)	−0.034 (5)	0.006 (5)
C66	0.137 (10)	0.077 (6)	0.048 (5)	−0.002 (6)	−0.032 (5)	−0.011 (4)
C10	0.144 (10)	0.057 (5)	0.096 (7)	0.018 (6)	−0.008 (7)	−0.034 (5)
C46	0.073 (6)	0.043 (4)	0.071 (5)	0.012 (4)	0.001 (4)	−0.004 (3)
C9	0.102 (8)	0.053 (5)	0.102 (7)	−0.018 (5)	0.014 (6)	−0.012 (5)
C35	0.080 (7)	0.074 (5)	0.044 (4)	0.006 (5)	−0.022 (4)	−0.013 (4)
C19	0.095 (7)	0.055 (4)	0.061 (5)	−0.026 (4)	0.020 (4)	−0.012 (4)
C68	0.096 (8)	0.065 (5)	0.079 (6)	0.015 (5)	−0.029 (5)	0.006 (4)
C12	0.124 (8)	0.048 (4)	0.056 (5)	0.015 (4)	0.029 (5)	0.006 (3)
C58	0.056 (6)	0.127 (7)	0.063 (5)	0.022 (5)	−0.011 (5)	−0.045 (5)
C30	0.063 (7)	0.114 (7)	0.071 (5)	−0.007 (6)	0.021 (5)	0.012 (5)
C47	0.080 (7)	0.043 (4)	0.107 (7)	0.004 (4)	−0.003 (5)	0.001 (4)
C60	0.050 (6)	0.137 (8)	0.063 (5)	0.018 (5)	−0.024 (5)	0.016 (5)
C48	0.105 (8)	0.041 (5)	0.138 (8)	0.013 (5)	−0.015 (7)	−0.026 (5)
C74	0.073 (8)	0.108 (7)	0.070 (5)	0.028 (6)	0.006 (5)	−0.026 (5)
C72	0.042 (6)	0.140 (8)	0.097 (7)	0.001 (6)	−0.005 (5)	−0.011 (6)
C73	0.050 (7)	0.156 (10)	0.087 (6)	0.030 (7)	0.008 (5)	−0.032 (6)
C59	0.064 (7)	0.187 (10)	0.076 (6)	0.033 (7)	−0.021 (5)	−0.064 (6)
C51	0.042 (4)	0.038 (3)	0.031 (3)	−0.004 (3)	0.000 (3)	−0.001 (3)
C52	0.080 (7)	0.047 (4)	0.078 (6)	0.002 (4)	0.019 (5)	0.008 (4)
C56	0.103 (8)	0.078 (5)	0.116 (7)	0.033 (5)	0.064 (6)	0.050 (5)
C55	0.098 (8)	0.106 (7)	0.106 (7)	0.024 (6)	0.057 (6)	0.055 (6)
C54	0.089 (8)	0.078 (6)	0.079 (6)	−0.011 (5)	0.005 (5)	0.037 (4)
C53	0.096 (8)	0.064 (5)	0.134 (8)	0.014 (5)	0.025 (7)	0.044 (5)

Geometric parameters (Å, º)

Zn1—O1	2.069 (3)	C5—C6	1.371 (9)
Zn1—O3	2.087 (3)	C5—C4	1.329 (9)
Zn1—O6	2.112 (3)	C29—H29	0.9300
Zn1—O5	2.085 (4)	C29—C28	1.392 (11)
Zn1—O4	2.136 (3)	C29—C30	1.339 (11)
Zn1—O2	2.073 (4)	C40—H40	0.9300
I2—Zn2	2.6125 (8)	C40—C41	1.388 (9)
I3—Zn2	2.6374 (8)	C69—H69	0.9300
I4—Zn2	2.6517 (9)	C69—C68	1.380 (9)
I1—Zn2	2.6075 (9)	C61—H61	0.9300
P2—O2	1.492 (4)	C61—C60	1.357 (10)
P2—C14	1.789 (5)	C25—H25	0.9300
P2—C20	1.788 (6)	C43—H43	0.9300
P2—C13	1.813 (6)	C43—C42	1.354 (9)
P5—O5	1.493 (4)	C43—C44	1.379 (9)
P5—C63	1.786 (6)	C6—H6	0.9300
P5—C57	1.776 (6)	C15—H15	0.9300
P5—C51	1.806 (6)	C15—C16	1.380 (9)
P4—O4	1.501 (3)	C75—H75	0.9300
P4—C38	1.800 (5)	C75—C74	1.378 (10)
P4—C39	1.773 (6)	C41—H41	0.9300
P4—C45	1.799 (6)	C41—C42	1.374 (9)
P3—O3	1.498 (3)	C42—H42	0.9300
P3—C38	1.812 (5)	C31—H31	0.9300
P3—C26	1.776 (7)	C31—C30	1.377 (11)
P3—C32	1.800 (6)	C18—H18	0.9300
P1—O1	1.489 (3)	C18—C17	1.356 (10)
P1—C1	1.791 (6)	C18—C19	1.391 (9)
P1—C13	1.798 (6)	C27—H27	0.9300
P1—C7	1.799 (5)	C27—C28	1.397 (11)
P6—O6	1.500 (3)	C11—H11	0.9300
P6—C64	1.798 (6)	C11—C10	1.349 (10)
P6—C70	1.795 (7)	C11—C12	1.398 (9)
P6—C63	1.823 (5)	C4—H4	0.9300
C64—C65	1.375 (8)	C4—C3	1.363 (10)
C64—C69	1.358 (8)	C49—H49	0.9300
C38—H38A	0.9700	C49—C50	1.379 (9)
C38—H38B	0.9700	C49—C48	1.365 (10)
C26—C31	1.381 (8)	C44—H44	0.9300
C26—C27	1.360 (8)	C50—H50	0.9300
C14—C15	1.363 (8)	C3—H3	0.9300
C14—C19	1.373 (8)	C28—H28	0.9300
C70—C71	1.379 (9)	C36—H36	0.9300
C70—C75	1.404 (8)	C36—C35	1.358 (9)
C22—H22	0.9300	C16—H16	0.9300
C22—C21	1.370 (9)	C16—C17	1.351 (10)
C22—C23	1.362 (10)	C23—H23	0.9300
C1—C2	1.399 (7)	C17—H17	0.9300
C1—C6	1.367 (8)	C67—H67	0.9300
C20—C21	1.375 (7)	C67—C66	1.358 (11)
C20—C25	1.375 (8)	C67—C68	1.365 (9)
C63—H63A	0.9700	C66—H66	0.9300
C63—H63B	0.9700	C10—H10	0.9300
C13—H13A	0.9700	C10—C9	1.362 (10)
C13—H13B	0.9700	C46—H46	0.9300
C32—C33	1.382 (7)	C46—C47	1.386 (8)
C32—C37	1.367 (8)	C9—H9	0.9300
C57—C62	1.368 (8)	C35—H35	0.9300
C57—C58	1.379 (8)	C19—H19	0.9300
C2—H2	0.9300	C68—H68	0.9300
C2—C3	1.399 (9)	C12—H12	0.9300
C39—C40	1.372 (8)	C58—H58	0.9300
C39—C44	1.395 (8)	C58—C59	1.370 (11)
C7—C8	1.366 (8)	C30—H30	0.9300
C7—C12	1.350 (8)	C47—H47	0.9300
C45—C50	1.368 (8)	C47—C48	1.365 (11)
C45—C46	1.373 (8)	C60—H60	0.9300
C34—H34	0.9300	C60—C59	1.348 (10)
C34—C33	1.360 (9)	C48—H48	0.9300
C34—C35	1.377 (9)	C74—H74	0.9300
C62—H62	0.9300	C74—C73	1.349 (12)
C62—C61	1.363 (9)	C72—H72	0.9300
C8—H8	0.9300	C72—C73	1.366 (11)
C8—C9	1.372 (9)	C73—H73	0.9300
C21—H21	0.9300	C59—H59	0.9300
C33—H33	0.9300	C51—C52	1.345 (9)
C65—H65	0.9300	C51—C56	1.343 (9)
C65—C66	1.372 (9)	C52—H52	0.90 (7)
C71—H71	0.9300	C52—C53	1.396 (10)
C71—C72	1.372 (10)	C56—H56	0.9300
C24—H24	0.9300	C56—C55	1.380 (9)
C24—C25	1.368 (9)	C55—H55	0.9300
C24—C23	1.360 (9)	C55—C54	1.344 (11)
C37—H37	0.9300	C54—H54	0.9300
C37—C36	1.395 (8)	C54—C53	1.324 (11)
C5—H5	0.9300	C53—H53	0.9300
O1—Zn1—O3	90.59 (14)	C4—C5—C6	120.3 (7)
O1—Zn1—O6	91.08 (14)	C28—C29—H29	120.0
O1—Zn1—O5	93.40 (15)	C30—C29—H29	120.0
O1—Zn1—O4	177.60 (15)	C30—C29—C28	120.0 (9)
O1—Zn1—O2	89.41 (14)	C39—C40—H40	119.4
O3—Zn1—O6	176.80 (13)	C39—C40—C41	121.2 (6)
O3—Zn1—O4	88.03 (13)	C41—C40—H40	119.4
O6—Zn1—O4	90.39 (13)	C64—C69—H69	119.6
O5—Zn1—O3	90.04 (14)	C64—C69—C68	120.7 (6)
O5—Zn1—O6	87.13 (14)	C68—C69—H69	119.6
O5—Zn1—O4	88.56 (14)	C62—C61—H61	119.8
O2—Zn1—O3	93.52 (14)	C60—C61—C62	120.5 (7)
O2—Zn1—O6	89.23 (14)	C60—C61—H61	119.8
O2—Zn1—O5	175.44 (14)	C20—C25—H25	119.6
O2—Zn1—O4	88.71 (14)	C24—C25—C20	120.8 (6)
I2—Zn2—I3	103.24 (3)	C24—C25—H25	119.6
I2—Zn2—I4	116.20 (4)	C42—C43—H43	119.5
I3—Zn2—I4	107.87 (3)	C42—C43—C44	121.0 (6)
I1—Zn2—I2	108.36 (3)	C44—C43—H43	119.5
I1—Zn2—I3	115.12 (4)	C1—C6—C5	121.1 (6)
I1—Zn2—I4	106.38 (3)	C1—C6—H6	119.5
O2—P2—C14	110.8 (2)	C5—C6—H6	119.5
O2—P2—C20	111.6 (2)	C14—C15—H15	120.1
O2—P2—C13	110.0 (2)	C14—C15—C16	119.9 (7)
C14—P2—C13	110.1 (3)	C16—C15—H15	120.1
C20—P2—C14	108.2 (3)	C70—C75—H75	120.5
C20—P2—C13	106.0 (3)	C74—C75—C70	119.1 (8)
O5—P5—C63	111.6 (3)	C74—C75—H75	120.5
O5—P5—C57	112.0 (2)	C40—C41—H41	120.2
O5—P5—C51	109.7 (2)	C42—C41—C40	119.7 (7)
C63—P5—C51	107.0 (3)	C42—C41—H41	120.2
C57—P5—C63	110.7 (3)	C43—C42—C41	119.8 (7)
C57—P5—C51	105.6 (3)	C43—C42—H42	120.1
O4—P4—C38	111.0 (2)	C41—C42—H42	120.1
O4—P4—C39	112.3 (2)	C26—C31—H31	119.6
O4—P4—C45	109.8 (2)	C30—C31—C26	120.8 (7)
C39—P4—C38	106.6 (3)	C30—C31—H31	119.6
C39—P4—C45	110.9 (3)	C17—C18—H18	120.3
C45—P4—C38	106.1 (3)	C17—C18—C19	119.3 (7)
O3—P3—C38	112.3 (2)	C19—C18—H18	120.3
O3—P3—C26	112.3 (3)	C26—C27—H27	119.9
O3—P3—C32	110.9 (2)	C26—C27—C28	120.3 (7)
C26—P3—C38	106.1 (3)	C28—C27—H27	119.9
C26—P3—C32	109.1 (3)	C10—C11—H11	120.5
C32—P3—C38	105.7 (3)	C10—C11—C12	119.0 (7)
O1—P1—C1	111.2 (3)	C12—C11—H11	120.5
O1—P1—C13	112.8 (2)	C5—C4—H4	119.1
O1—P1—C7	110.7 (2)	C5—C4—C3	121.9 (7)
C1—P1—C13	105.1 (3)	C3—C4—H4	119.1
C1—P1—C7	109.7 (3)	C50—C49—H49	120.4
C13—P1—C7	107.2 (3)	C48—C49—H49	120.4
O6—P6—C64	110.3 (2)	C48—C49—C50	119.1 (7)
O6—P6—C70	112.3 (3)	C39—C44—H44	119.9
O6—P6—C63	111.7 (2)	C43—C44—C39	120.2 (6)
C64—P6—C63	107.0 (3)	C43—C44—H44	119.9
C70—P6—C64	109.8 (3)	C45—C50—C49	121.5 (7)
C70—P6—C63	105.5 (3)	C45—C50—H50	119.3
P1—O1—Zn1	133.3 (2)	C49—C50—H50	119.3
P3—O3—Zn1	129.7 (2)	C2—C3—H3	120.6
P6—O6—Zn1	127.7 (2)	C4—C3—C2	118.7 (6)
P5—O5—Zn1	132.0 (2)	C4—C3—H3	120.6
C65—C64—P6	120.4 (5)	C29—C28—C27	119.3 (8)
C69—C64—P6	120.0 (4)	C29—C28—H28	120.3
C69—C64—C65	119.5 (6)	C27—C28—H28	120.3
P4—O4—Zn1	129.3 (2)	C37—C36—H36	119.6
P4—C38—P3	112.2 (3)	C35—C36—C37	120.7 (6)
P4—C38—H38A	109.2	C35—C36—H36	119.6
P4—C38—H38B	109.2	C15—C16—H16	119.9
P3—C38—H38A	109.2	C17—C16—C15	120.3 (7)
P3—C38—H38B	109.2	C17—C16—H16	119.9
H38A—C38—H38B	107.9	C22—C23—H23	120.1
P2—O2—Zn1	135.0 (2)	C24—C23—C22	119.8 (7)
C31—C26—P3	121.9 (5)	C24—C23—H23	120.1
C27—C26—P3	119.0 (5)	C18—C17—H17	119.6
C27—C26—C31	119.0 (7)	C16—C17—C18	120.8 (7)
C15—C14—P2	118.4 (5)	C16—C17—H17	119.6
C15—C14—C19	119.8 (6)	C66—C67—H67	120.6
C19—C14—P2	121.8 (4)	C66—C67—C68	118.9 (7)
C71—C70—P6	118.2 (5)	C68—C67—H67	120.6
C71—C70—C75	119.6 (7)	C65—C66—H66	119.1
C75—C70—P6	122.2 (6)	C67—C66—C65	121.8 (7)
C21—C22—H22	119.8	C67—C66—H66	119.1
C23—C22—H22	119.8	C11—C10—H10	119.4
C23—C22—C21	120.4 (6)	C11—C10—C9	121.2 (7)
C2—C1—P1	123.1 (5)	C9—C10—H10	119.4
C6—C1—P1	118.4 (4)	C45—C46—H46	120.3
C6—C1—C2	118.3 (6)	C45—C46—C47	119.4 (7)
C21—C20—P2	124.2 (5)	C47—C46—H46	120.3
C21—C20—C25	118.5 (6)	C8—C9—H9	120.5
C25—C20—P2	117.4 (5)	C10—C9—C8	119.0 (7)
P5—C63—P6	114.9 (3)	C10—C9—H9	120.5
P5—C63—H63A	108.5	C34—C35—H35	120.6
P5—C63—H63B	108.5	C36—C35—C34	118.9 (6)
P6—C63—H63A	108.5	C36—C35—H35	120.6
P6—C63—H63B	108.5	C14—C19—C18	119.9 (6)
H63A—C63—H63B	107.5	C14—C19—H19	120.1
P2—C13—H13A	108.7	C18—C19—H19	120.1
P2—C13—H13B	108.7	C69—C68—H68	120.0
P1—C13—P2	114.3 (3)	C67—C68—C69	119.9 (7)
P1—C13—H13A	108.7	C67—C68—H68	120.0
P1—C13—H13B	108.7	C7—C12—C11	120.3 (6)
H13A—C13—H13B	107.6	C7—C12—H12	119.9
C33—C32—P3	122.0 (5)	C11—C12—H12	119.9
C37—C32—P3	118.7 (4)	C57—C58—H58	119.5
C37—C32—C33	119.3 (6)	C59—C58—C57	120.9 (7)
C62—C57—P5	119.3 (5)	C59—C58—H58	119.5
C62—C57—C58	117.3 (6)	C29—C30—C31	120.6 (8)
C58—C57—P5	123.2 (5)	C29—C30—H30	119.7
C1—C2—H2	120.2	C31—C30—H30	119.7
C3—C2—C1	119.7 (7)	C46—C47—H47	119.6
C3—C2—H2	120.2	C48—C47—C46	120.7 (7)
C40—C39—P4	118.3 (5)	C48—C47—H47	119.6
C40—C39—C44	118.1 (6)	C61—C60—H60	120.3
C44—C39—P4	123.5 (5)	C59—C60—C61	119.4 (8)
C8—C7—P1	122.5 (5)	C59—C60—H60	120.3
C12—C7—P1	117.9 (5)	C49—C48—H48	120.0
C12—C7—C8	119.5 (6)	C47—C48—C49	120.0 (7)
C50—C45—P4	117.8 (5)	C47—C48—H48	120.0
C50—C45—C46	119.1 (6)	C75—C74—H74	119.8
C46—C45—P4	122.9 (5)	C73—C74—C75	120.3 (8)
C33—C34—H34	119.4	C73—C74—H74	119.8
C33—C34—C35	121.2 (6)	C71—C72—H72	119.8
C35—C34—H34	119.4	C73—C72—C71	120.3 (9)
C57—C62—H62	119.3	C73—C72—H72	119.8
C61—C62—C57	121.4 (7)	C74—C73—C72	121.1 (9)
C61—C62—H62	119.3	C74—C73—H73	119.5
C7—C8—H8	119.6	C72—C73—H73	119.5
C7—C8—C9	120.9 (7)	C58—C59—H59	119.7
C9—C8—H8	119.6	C60—C59—C58	120.5 (8)
C22—C21—C20	120.3 (6)	C60—C59—H59	119.7
C22—C21—H21	119.8	C52—C51—P5	124.1 (5)
C20—C21—H21	119.8	C56—C51—P5	116.4 (5)
C32—C33—H33	119.9	C56—C51—C52	118.8 (6)
C34—C33—C32	120.2 (6)	C51—C52—H52	124 (5)
C34—C33—H33	119.9	C51—C52—C53	119.6 (8)
C64—C65—H65	120.5	C53—C52—H52	116 (4)
C66—C65—C64	119.0 (7)	C51—C56—H56	119.1
C66—C65—H65	120.5	C51—C56—C55	121.8 (8)
C70—C71—H71	120.2	C55—C56—H56	119.1
C72—C71—C70	119.6 (7)	C56—C55—H55	120.7
C72—C71—H71	120.2	C54—C55—C56	118.7 (8)
C25—C24—H24	120.0	C54—C55—H55	120.7
C23—C24—H24	120.0	C55—C54—H54	119.7
C23—C24—C25	120.0 (7)	C53—C54—C55	120.6 (8)
C32—C37—H37	120.1	C53—C54—H54	119.7
C32—C37—C36	119.7 (6)	C52—C53—H53	119.7
C36—C37—H37	120.1	C54—C53—C52	120.5 (8)
C6—C5—H5	119.9	C54—C53—H53	119.7
C4—C5—H5	119.9