Tetra­kis(penta­fluoro­benzene­thiol­ato-κS)(triphenyl­phosphine-κP)osmium(IV): a Z′ = 3 structure with a supra­molecular double-stranded backbone

The title complex, [Os(C₆F₅S)₄(C₁₈H₁₅P)], crystallizes with three independent mol­ecules in the asymmetric unit. Two of these have very similar conformations, while in the third, the axial thiol­ate ligand has a rotation that differs by ca 21.5°. The coordination around the metal atom is trigonal bipyramidal and the supra­molecular structure involves an unusual double-stranded backbone.

S1. Comment

Owing to their ability to coordinate to almost every transition metal, tertiary phosphines, PR₃, are widely used for the preparation of stable organometallic complexes. Within this class of ligands, triphenylphosphine is one of the most commonly used (Crabtree, 2001); for example, it is used for stabilizing 16-electron complexes such as Wilkinson's catalyst [RhCl(PPh₃)₃] or Vaska's catalyst [trans-IrCl(CO)(PPh₃)₂]. Approximately 9000 PPh₃-containing transition metal complexes appear in the Cambridge Structural Database, in 430 of which the metal centre is osmium (CSD; Version 5.27; Allen, 2002). The title compound, (I), was crystallized as part of a long-standing project involving mononuclear Os-based complexes of a variety of thiolate and phosphine ligands. Although this air-stable complex has been available as single crystals for a decade, X-ray data had never been measured, since the formula and coordination geometry were available from analytical data and by analogy with a structurally characterized complex containing SC₆F₄H thiolate functionalities in place of SC₆F₅ (Arroyo et al., 1994).

The asymmetric unit of (I) contains three independent molecules of [Os(SC₆F₅)₄(PPh₃)] in general positions, with no evidence of pseudo- or non-crystallographic symmetry. In each molecule (denoted A, B and C hereinafter; see Figs. 1, 2 and 3), the metal centre displays a trigonal–bipyramidal coordination geometry very similar to that found in the closely related complex [Os(SC₆F₄H)₄(PPh₃)] (Arroyo et al., 1994). This geometry has also been observed in a number of Os^IV complexes of general formula [Os(SR')₄(PR₃)] where PR₃ is a para-substituted tertiary phosphine and the SR' groups are thiolates with various degrees of F-substitution (Mendoza et al., 2006). The axial positions in (I) are occupied by mutually trans thiolate and triphenylphosphine ligands [S—Os—P = 173.81 (9)–176.85 (9)°], while the remaining three equatorial positions are occupied by three thiolate ligands. For obvious steric reasons (Fig. 1), the pentafluorophenyl rings of the equatorial ligands are directed away from the axial phosphine ligand. The P—C_ipso bonds are staggered with respect to the equatorial Os—S bonds; such an arrangement probably minimizes the overall steric hindrance in the whole molecule. Other bond lengths and angles in (I) are within normal ranges and no unexpected features were detected.

A least-squares fit between the OsS₄P coordination environments of the three independent molecules in (I) shows that the geometry for this core is constant (the r.m.s. deviations for each pair of molecules are 0.048 Å for A/B and 0.035 Å for both B/C and A/C. However, consideration of the entire molecules clearly shows that two rotamers are present in the solid state (Fig. 4); while molecules B and C match very well, the axial thiolate ligand in molecule A is rotated by ca 21.5° relative to those in molecules B and C. From the positions of the axial thiolate groups in both rotamers, it can be seen that the observed rotational isomerism is due to a non-restricted rotation about Os—S and S—C_ipsoσ bonds, which is reflected in the S_equatorial—Os—S_axial—C_ipso torsion angles (Table 1). The Z' ≠ 1 value obtained for (I) may also be connected to a limited libration of the terminal thiolate groups, affecting above all the functional group bonded to atom S3 (Fig. 4). Complex (I) is thus found in the solid state as a 1:2 mixture of rotamers. Some related cases of organometallic cocrystals have been described; for example, two rotamers of a Pd maleic anhydride complex have been observed in a single-crystal (Gómez-de la Torre et al., 1998). A remarkable example has also been described for [PtCl₂(quinoline)₂], which crystallizes as a 1:1 mixture of head-to-head and head-to-tail conformers (Davies et al., 2001). The extensive work described in that paper showed that in DMF solution these conformers also interconvert by rotation about a Pt—-N bond. In the case of (I), no evidence has so far been found to support an interconversion mechanism in solution, and the minor differences in conformation in the solid state may be a consequence of crystal packing forces.

Crystal structures with Z' > 1 can pose experimental problems, as the molecules in these crystals may be not very densely packed, giving poorly diffracting samples (Lehmler et al., 2002) or low-melting materials (McCourt et al., 1996). However, this is not the case for (I), where the packing index (Spek, 2003) of 0.664 falls in the normal range for organometallic compounds and the density of 1.898 Mg m⁻³ is comparable to the value of 1.846 Mg m⁻³ observed for the Z' = 1 complex [Os(SC₆F₄H)₄(PPh₃)] (Arroyo et al., 1994). In (I), molecules are well packed at van der Waals distances, leaving no significant voids (Spek, 2003). This efficient packing could be related to the near-globular shape of the molecule, and the fact that the F atoms are relegated to one half of the cooordination sphere, while the other hemisphere, occupied by the PPh₃ ligand, contains only C and H atoms. This arrangement results in polar molecules which can pack according to essentially electrostatic forces.

The centroid of the asymmetric unit computed using all the atoms in the three independent molecules lies at (0.581, 0.571, 0.179), close to the 2₁ screw axis at (1/2, y, 1/4). As a consequence, the array of three molecules forms a zigzag chain running along the b axis (Fig. 5), its period of b/3 ≈ 14.9 Å being imposed by symmetry. Owing to the mutually trans arrangement of the F-containing SC₆F₅ ligands and the H-containing PPh₃ ligand within the coordination sphere, the supramolecular structure of (I) is based on an unusual double-stranded backbone running parallel to the b axis. One strand contains all F atoms [shown in pale grey in Fig. 5 (green in the online issue)] while the second strand, embedded with the first one, contains C and H atoms of the PPh₃ ligands [shown in dark grey (blue) in Fig. 5]. This supramolecular association of asymmetric units in (I) is reflected in the anisotropy of the unit cell, with a b/a ratio close to 3.5.

Work is now underway to characterize (I) in solution, mainly using variable temperature ¹⁹F NMR experiments. The current Z' = 3 complex is unique within the closely analogous series of [Os(SR')₄(PR₃)] complexes we have synthesized over a decade (Please insert references to these), which otherwise crystallize with Z' = 1. Therefore, it would not be surprising if a structure with Z' = 1 were subsequently identified for the title complex, perhaps by varying the experimental conditions used for synthesis and crystal growth.

S2. Experimental

The title compound was prepared following a published procedure (Arroyo et al., 1994) in a ca 87% yield, and crystallized by slow evaporation from a hexane–dichloromethane (3:2) solution at 298 K.

S3. Refinement

The structure was refined (Sheldrick, 1998) using a least-squares matrix partitioned into three blocks, each containing positional and displacement parameters for a single molecule. H atoms were placed in idealized positions and refined using a riding-model approximation (C—H = 0.93 Å) and fixed isotropic displacement parameters [U_iso(H) = 1.2U_eq(carrier C atom)]. In order to obtain a sensible geometry for the PPh₃ and SC₆F₅ ligands, C atoms of each ring were restrained to lie in a common plane (chiral volumes defined by tetrahedra restrained to 0 with standard deviation 0.1 ų) and twofold symmetry was applied to six-membered rings, within a standard deviation of 0.02 Å. Similarity restraints were applied, with a 0.02 Å standard deviation, for all C₆H₅ or C₆F₅ units in each independent molecule. Finally, rigid bond restraints were applied for all C≐C bonds in these ligands; the components of the anisotropic displacement parameters in the direction of each bond were restrained to be equal within an effective standard deviation of 0.01 Ų. In the last cycles, a set of 20 reflections with F_o >> F_c was omitted, yielding slightly better residual parameters. The highest peak and deepest hole in the difference Fourier synthesis, which lie, respectively, 0.84 and 0.91 Å from atom Os1A, may result from limitations in the absorption corrections applied and have no chemical significance. Displacement parameters for F atoms [U_eq range 0.0692 (17)–0.224 (8) Ų] are significantly higher than those of their carrier C atoms [U_eq range 0.046 (2)–0.157 (8) Ų]. However, this is a feature found in the majority of perfluorinated compounds.

Computing details

Data collection: XSCANS (Siemens, 1996); cell refinement: XSCANS; data reduction: XSCANS; program(s) used to solve structure: SHELXTL-Plus (Sheldrick, 1998); program(s) used to refine structure: SHELXTL-Plus; molecular graphics: SHELXTL-Plus and Mercury (Version 1.4.1; Bruno et al., 2002); software used to prepare material for publication: SHELXTL-Plus.

Figures

	Fig. 1. A view of molecule A in the asymmetric unit of (I), with displacement ellipsoids drawn at the 10% probability level. H atoms have been omitted for clarity. The labelling scheme is given for non-F atoms. F atoms are labelled as their carrier C atoms.
	Fig. 2. A view of molecule B with displacement ellipsoids drawn at the 10% probability level. H atoms have been omitted and the numbering scheme is analogous to that adopted for molecule A (Fig. 1), substituting suffix `B' for suffix `A'.
	Fig. 3. A view of molecule C with displacement ellipsoids drawn at the 10% probability level. H atoms have been omitted and the numbering scheme is analogous to that adopted for molecule A (Fig. 1), substituting suffix `C' for suffix `A'.
	Fig. 4. Overlay of the three non-symmetry-related molecules present in the solid state for (I). The fit has been carried out on Os, S and P atoms by using the overlay facility of Mercury (Version 1.4.1; Bruno et al., 2002). [Colour code for online issue: grey = molecule A, blue = molecule B, green = molecule C.]
	Fig. 5. Part of the packing structure of (I), in a CPK spacefill representation (Bruno et al., 2002), viewed down [100] (left) and down [001] (right). The vertical axis corresponds in both views to the b cell axis. Pale-grey (or green online) atoms identify the hemisphere containing fluorinated thiolate groups, whereas dark-grey (or blue) atoms identify the hemisphere with the C and H atoms of the PPh3 ligands.

Tetrakis(pentafluorobenzenethiolato-κS)(triphenylphosphine-κP)osmium(IV)

Crystal data

[Os(C6F5S)4(C18H15P)]	F(000) = 7224
Mr = 1248.95	Dx = 1.898 Mg m^−3
Monoclinic, P21/c	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ybc	Cell parameters from 88 reflections
a = 13.0394 (13) Å	θ = 3.2–14.0°
b = 44.781 (3) Å	µ = 3.26 mm^−1
c = 22.8023 (17) Å	T = 299 K
β = 100.051 (8)°	Tabular prism, dark green
V = 13110.4 (19) Å^3	0.4 × 0.2 × 0.2 mm
Z = 12

Data collection

Bruker P4 diffractometer	15318 reflections with I > 2σ(I)
Radiation source: fine-focus sealed tube, FN4	Rint = 0.045
Graphite monochromator	θmax = 25.0°, θmin = 1.6°
2θ/ω scans	h = −15→2
Absorption correction: ψ scan (XSCANS; Siemens, 1996)	k = −53→1
Tmin = 0.362, Tmax = 0.521	l = −26→27
27759 measured reflections	3 standard reflections every 97 reflections
22988 independent reflections	intensity decay: 3.5%

Refinement

Refinement on F^2	Secondary atom site location: difference Fourier map
Least-squares matrix: full with fixed elements per cycle	Hydrogen site location: inferred from neighbouring sites
R[F^2 > 2σ(F^2)] = 0.055	H-atom parameters constrained
wR(F^2) = 0.144	w = 1/[σ^2(Fo^2) + (0.0398P)^2 + 114.1882P] where P = (Fo^2 + 2Fc^2)/3
S = 1.01	(Δ/σ)max = 0.002
22988 reflections	Δρmax = 1.56 e Å^−3
1838 parameters	Δρmin = −1.84 e Å^−3
1209 restraints	Extinction correction: SHELXTL-Plus, Fc^*=kFc[1+0.001xFc^2λ^3/sin(2θ)]^-1/4
Primary atom site location: structure-invariant direct methods	Extinction coefficient: 0.000195 (12)

Special details

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

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

	x	y	z	Uiso*/Ueq
Os1A	0.81405 (3)	0.400663 (9)	0.057024 (16)	0.04462 (11)
P1A	0.78183 (19)	0.36943 (6)	−0.02997 (10)	0.0448 (6)
C1A	0.7903 (6)	0.32975 (18)	−0.0132 (3)	0.046 (2)
C2A	0.8734 (7)	0.31861 (19)	0.0262 (4)	0.058 (2)
H2AA	0.9237	0.3317	0.0453	0.069*
C3A	0.8838 (8)	0.2883 (2)	0.0381 (4)	0.070 (3)
H3AA	0.9411	0.2811	0.0644	0.084*
C4A	0.8091 (8)	0.2691 (2)	0.0108 (5)	0.073 (3)
H4AA	0.8156	0.2487	0.0186	0.088*
C5A	0.7252 (9)	0.2795 (2)	−0.0277 (5)	0.076 (3)
H5AA	0.6746	0.2663	−0.0459	0.092*
C6A	0.7146 (7)	0.30962 (19)	−0.0400 (4)	0.061 (3)
H6AA	0.6568	0.3165	−0.0662	0.073*
C7A	0.8743 (7)	0.37471 (18)	−0.0805 (4)	0.047 (2)
C8A	0.8938 (8)	0.4027 (2)	−0.1008 (4)	0.066 (3)
H8AA	0.8621	0.4192	−0.0869	0.079*
C9A	0.9596 (9)	0.4068 (2)	−0.1416 (5)	0.077 (3)
H9AA	0.9708	0.4259	−0.1554	0.092*
C10A	1.0077 (9)	0.3829 (2)	−0.1615 (5)	0.085 (4)
H10A	1.0528	0.3856	−0.1885	0.102*
C11A	0.9898 (9)	0.3549 (2)	−0.1419 (5)	0.084 (4)
H11A	1.0232	0.3387	−0.1557	0.101*
C12A	0.9228 (8)	0.3503 (2)	−0.1019 (5)	0.063 (3)
H12A	0.9102	0.3311	−0.0894	0.076*
C13A	0.6548 (6)	0.3742 (2)	−0.0766 (3)	0.049 (2)
C14A	0.6425 (7)	0.3715 (3)	−0.1380 (4)	0.065 (3)
H14A	0.7004	0.3681	−0.1558	0.078*
C15A	0.5446 (8)	0.3737 (3)	−0.1730 (4)	0.077 (3)
H15A	0.5369	0.3713	−0.2141	0.093*
C16A	0.4600 (8)	0.3793 (3)	−0.1474 (4)	0.079 (3)
H16A	0.3949	0.3817	−0.1711	0.095*
C17A	0.4702 (7)	0.3814 (3)	−0.0871 (5)	0.072 (3)
H17A	0.4116	0.3843	−0.0698	0.086*
C18A	0.5674 (7)	0.3790 (2)	−0.0513 (4)	0.060 (3)
H18A	0.5739	0.3808	−0.0102	0.072*
S1A	0.8658 (2)	0.43036 (6)	0.14567 (11)	0.0546 (6)
C19A	0.7687 (6)	0.45069 (18)	0.1723 (3)	0.052 (2)
C20A	0.8007 (7)	0.47410 (18)	0.2111 (3)	0.068 (3)
C21A	0.7313 (8)	0.4906 (2)	0.2371 (4)	0.085 (3)
C22A	0.6282 (8)	0.4841 (3)	0.2254 (6)	0.100 (4)
C23A	0.5938 (8)	0.4614 (2)	0.1878 (6)	0.089 (4)
C24A	0.6631 (7)	0.4452 (2)	0.1610 (5)	0.068 (3)
F20A	0.9009 (5)	0.48200 (16)	0.2222 (3)	0.090 (2)
F21A	0.7663 (7)	0.51326 (16)	0.2739 (3)	0.125 (3)
F22A	0.5602 (8)	0.5001 (2)	0.2508 (4)	0.155 (4)
F23A	0.4922 (6)	0.4554 (2)	0.1734 (5)	0.143 (4)
F24A	0.6229 (5)	0.42444 (15)	0.1215 (3)	0.0828 (19)
S2A	0.7342 (2)	0.36525 (6)	0.09916 (11)	0.0586 (7)
C25A	0.7393 (6)	0.3673 (2)	0.1772 (3)	0.053 (2)
C26A	0.8296 (7)	0.3599 (3)	0.2154 (4)	0.063 (3)
C27A	0.8320 (7)	0.3577 (3)	0.2760 (4)	0.067 (3)
C28A	0.7453 (7)	0.3629 (2)	0.2992 (4)	0.066 (3)
C29A	0.6546 (7)	0.3697 (3)	0.2630 (4)	0.071 (3)
C30A	0.6518 (6)	0.3714 (2)	0.2025 (3)	0.057 (2)
F26A	0.9156 (5)	0.35342 (18)	0.1944 (3)	0.096 (2)
F27A	0.9211 (6)	0.34997 (19)	0.3116 (3)	0.114 (3)
F28A	0.7486 (7)	0.36079 (19)	0.3584 (3)	0.110 (3)
F29A	0.5670 (6)	0.3738 (2)	0.2850 (3)	0.111 (3)
F30A	0.5597 (4)	0.37655 (18)	0.1686 (3)	0.089 (2)
S3A	0.98068 (19)	0.39398 (6)	0.05116 (12)	0.0583 (7)
C31A	1.0700 (7)	0.4172 (2)	0.0988 (3)	0.056 (2)
C32A	1.1099 (8)	0.4419 (2)	0.0750 (4)	0.068 (3)
C33A	1.1869 (8)	0.4588 (2)	0.1080 (4)	0.072 (3)
C34A	1.2227 (8)	0.4518 (2)	0.1656 (4)	0.071 (3)
C35A	1.1848 (8)	0.4277 (2)	0.1906 (4)	0.071 (3)
C36A	1.1093 (8)	0.4103 (2)	0.1573 (4)	0.068 (3)
F32A	1.0778 (6)	0.44890 (17)	0.0180 (3)	0.099 (2)
F33A	1.2262 (6)	0.48226 (18)	0.0826 (3)	0.113 (3)
F34A	1.2966 (5)	0.46890 (15)	0.1981 (3)	0.100 (2)
F35A	1.2185 (7)	0.42134 (18)	0.2480 (3)	0.123 (3)
F36A	1.0760 (6)	0.38654 (16)	0.1829 (3)	0.102 (3)
S4A	0.7319 (2)	0.43629 (6)	0.00079 (11)	0.0602 (7)
C37A	0.7254 (7)	0.4712 (2)	0.0370 (4)	0.067 (3)
C38A	0.6317 (9)	0.4822 (2)	0.0476 (5)	0.098 (4)
C39A	0.6253 (9)	0.5096 (3)	0.0752 (6)	0.129 (6)
C40A	0.7129 (10)	0.5258 (3)	0.0918 (8)	0.157 (8)
C41A	0.8056 (10)	0.5164 (3)	0.0803 (6)	0.129 (6)
C42A	0.8118 (9)	0.4891 (2)	0.0526 (5)	0.096 (4)
F38A	0.5449 (6)	0.4662 (2)	0.0332 (4)	0.123 (3)
F39A	0.5337 (9)	0.5191 (3)	0.0865 (4)	0.211 (7)
F40A	0.7073 (12)	0.5526 (2)	0.1187 (4)	0.224 (8)
F41A	0.8917 (10)	0.5324 (2)	0.0974 (4)	0.199 (7)
F42A	0.9036 (7)	0.48040 (19)	0.0421 (4)	0.117 (3)
Os1B	0.22749 (3)	0.563220 (9)	0.437265 (16)	0.04504 (11)
P1B	0.2583 (2)	0.53567 (6)	0.52920 (11)	0.0476 (6)
C1B	0.3842 (6)	0.54325 (19)	0.5748 (3)	0.047 (2)
C2B	0.4742 (7)	0.5393 (2)	0.5511 (4)	0.063 (3)
H2BA	0.4685	0.5331	0.5118	0.076*
C3B	0.5714 (7)	0.5444 (3)	0.5836 (5)	0.076 (3)
H3BA	0.6304	0.5417	0.5664	0.092*
C4B	0.5807 (8)	0.5535 (3)	0.6414 (5)	0.079 (3)
H4BA	0.6463	0.5566	0.6641	0.095*
C5B	0.4940 (8)	0.5582 (3)	0.6658 (4)	0.084 (4)
H5BA	0.5007	0.5652	0.7047	0.101*
C6B	0.3957 (7)	0.5527 (3)	0.6332 (4)	0.067 (3)
H6BA	0.3372	0.5553	0.6508	0.081*
C7B	0.2549 (7)	0.49540 (18)	0.5230 (4)	0.051 (2)
C8B	0.1767 (7)	0.48155 (19)	0.4830 (4)	0.061 (3)
H8BA	0.1271	0.4933	0.4592	0.073*
C9B	0.1709 (8)	0.4509 (2)	0.4776 (5)	0.067 (3)
H9BA	0.1178	0.4423	0.4504	0.080*
C10B	0.2428 (8)	0.4333 (2)	0.5122 (5)	0.073 (3)
H10B	0.2398	0.4127	0.5085	0.088*
C11B	0.3193 (9)	0.4467 (2)	0.5522 (5)	0.078 (3)
H11B	0.3678	0.4348	0.5764	0.094*
C12B	0.3267 (8)	0.4770 (2)	0.5579 (5)	0.070 (3)
H12B	0.3802	0.4854	0.5853	0.084*
C13B	0.1645 (7)	0.54369 (19)	0.5776 (4)	0.054 (2)
C14B	0.1171 (8)	0.5217 (2)	0.6059 (4)	0.062 (3)
H14B	0.1311	0.5018	0.5994	0.075*
C15B	0.0490 (9)	0.5290 (3)	0.6438 (5)	0.081 (3)
H15B	0.0182	0.5140	0.6630	0.097*
C16B	0.0270 (9)	0.5582 (3)	0.6532 (5)	0.079 (3)
H16B	−0.0186	0.5631	0.6789	0.095*
C17B	0.0718 (8)	0.5802 (2)	0.6251 (5)	0.073 (3)
H17B	0.0572	0.6001	0.6318	0.087*
C18B	0.1384 (7)	0.5732 (2)	0.5868 (4)	0.062 (3)
H18B	0.1665	0.5883	0.5667	0.075*
S1B	0.2021 (2)	0.58884 (6)	0.34269 (10)	0.0540 (6)
C19B	0.1618 (7)	0.62618 (18)	0.3421 (3)	0.051 (2)
C20B	0.1771 (6)	0.64344 (19)	0.2938 (3)	0.065 (3)
C21B	0.1464 (8)	0.6726 (2)	0.2871 (4)	0.086 (4)
C22B	0.0966 (11)	0.6859 (2)	0.3277 (5)	0.094 (4)
C23B	0.0811 (9)	0.6701 (2)	0.3766 (4)	0.071 (3)
C24B	0.1155 (7)	0.64122 (18)	0.3841 (4)	0.055 (2)
F20B	0.2267 (6)	0.63155 (15)	0.2529 (3)	0.089 (2)
F21B	0.1639 (8)	0.68835 (18)	0.2397 (3)	0.130 (3)
F22B	0.0645 (9)	0.71442 (16)	0.3227 (4)	0.144 (4)
F23B	0.0350 (6)	0.68263 (16)	0.4184 (3)	0.106 (3)
F24B	0.1046 (5)	0.62711 (13)	0.4344 (2)	0.0692 (17)
S2B	0.3339 (2)	0.59659 (6)	0.48716 (11)	0.0560 (6)
C25B	0.3562 (7)	0.62913 (17)	0.4470 (4)	0.050 (2)
C26B	0.4155 (8)	0.62907 (18)	0.4021 (4)	0.059 (3)
C27B	0.4351 (8)	0.6551 (2)	0.3741 (4)	0.067 (3)
C28B	0.3989 (9)	0.6817 (2)	0.3910 (5)	0.076 (3)
C29B	0.3439 (8)	0.68276 (18)	0.4364 (4)	0.066 (3)
C30B	0.3245 (7)	0.65663 (18)	0.4641 (4)	0.054 (2)
F26B	0.4558 (5)	0.60405 (13)	0.3853 (3)	0.083 (2)
F27B	0.4899 (6)	0.65464 (17)	0.3295 (3)	0.106 (3)
F28B	0.4173 (7)	0.70715 (16)	0.3642 (4)	0.120 (3)
F29B	0.3096 (6)	0.70859 (14)	0.4549 (4)	0.104 (3)
F30B	0.2706 (5)	0.65783 (15)	0.5091 (3)	0.086 (2)
S3B	0.3031 (2)	0.52564 (6)	0.39786 (12)	0.0664 (8)
C31B	0.3096 (6)	0.5313 (2)	0.3219 (4)	0.058 (2)
C32B	0.2272 (8)	0.5233 (3)	0.2777 (4)	0.084 (3)
C33B	0.2300 (9)	0.5294 (3)	0.2191 (4)	0.111 (5)
C34B	0.3161 (8)	0.5415 (3)	0.2034 (4)	0.113 (5)
C35B	0.4005 (9)	0.5484 (3)	0.2456 (4)	0.093 (4)
C36B	0.3962 (7)	0.5437 (2)	0.3045 (4)	0.067 (3)
F32B	0.1450 (6)	0.5095 (2)	0.2911 (4)	0.132 (4)
F33B	0.1506 (8)	0.5218 (3)	0.1763 (4)	0.178 (5)
F34B	0.3205 (10)	0.5469 (3)	0.1463 (3)	0.203 (6)
F35B	0.4855 (8)	0.5605 (2)	0.2306 (5)	0.157 (4)
F36B	0.4801 (5)	0.54955 (15)	0.3455 (3)	0.093 (2)
S4B	0.06043 (19)	0.55769 (6)	0.44211 (11)	0.0558 (7)
C37B	−0.0313 (7)	0.57646 (19)	0.3872 (3)	0.053 (2)
C38B	−0.0923 (7)	0.5984 (2)	0.4064 (4)	0.065 (3)
C39B	−0.1719 (9)	0.6115 (3)	0.3683 (5)	0.097 (4)
C40B	−0.1963 (9)	0.6023 (2)	0.3106 (4)	0.092 (4)
C41B	−0.1378 (8)	0.5807 (3)	0.2900 (4)	0.085 (3)
C42B	−0.0578 (7)	0.5676 (2)	0.3284 (4)	0.068 (3)
F38B	−0.0724 (5)	0.60793 (16)	0.4624 (3)	0.083 (2)
F39B	−0.2290 (7)	0.6332 (2)	0.3875 (4)	0.130 (3)
F40B	−0.2737 (7)	0.6154 (2)	0.2734 (4)	0.152 (4)
F41B	−0.1594 (7)	0.5718 (2)	0.2332 (3)	0.126 (3)
F42B	−0.0050 (5)	0.54502 (16)	0.3087 (3)	0.091 (2)
Os1C	0.71310 (3)	0.728663 (8)	0.038446 (16)	0.04505 (10)
P1C	0.6882 (2)	0.69785 (6)	−0.04954 (11)	0.0466 (6)
C1C	0.5624 (6)	0.7020 (2)	−0.0989 (3)	0.049 (2)
C2C	0.4710 (7)	0.7033 (2)	−0.0754 (4)	0.061 (3)
H2CA	0.4745	0.7021	−0.0343	0.074*
C3C	0.3757 (7)	0.7061 (2)	−0.1117 (5)	0.071 (3)
H3CA	0.3152	0.7068	−0.0953	0.085*
C4C	0.3700 (8)	0.7081 (3)	−0.1719 (5)	0.082 (3)
H4CA	0.3056	0.7102	−0.1965	0.099*
C5C	0.4584 (8)	0.7068 (3)	−0.1961 (4)	0.082 (4)
H5CA	0.4539	0.7082	−0.2371	0.098*
C6C	0.5548 (7)	0.7036 (3)	−0.1600 (4)	0.068 (3)
H6CA	0.6146	0.7025	−0.1770	0.082*
C7C	0.6976 (6)	0.65800 (18)	−0.0356 (4)	0.047 (2)
C8C	0.7798 (7)	0.6468 (2)	0.0052 (4)	0.061 (3)
H8CA	0.8288	0.6598	0.0259	0.074*
C9C	0.7894 (8)	0.6165 (2)	0.0155 (5)	0.067 (3)
H9CA	0.8454	0.6092	0.0427	0.081*
C10C	0.7171 (8)	0.5970 (2)	−0.0138 (5)	0.068 (3)
H10C	0.7228	0.5766	−0.0066	0.082*
C11C	0.6362 (9)	0.6084 (2)	−0.0542 (5)	0.082 (4)
H11C	0.5872	0.5953	−0.0746	0.099*
C12C	0.6250 (8)	0.63828 (19)	−0.0654 (5)	0.065 (3)
H12C	0.5690	0.6453	−0.0928	0.078*
C13C	0.7825 (7)	0.70525 (18)	−0.0978 (4)	0.047 (2)
C14C	0.8299 (8)	0.6827 (2)	−0.1247 (4)	0.070 (3)
H14C	0.8179	0.6629	−0.1159	0.083*
C15C	0.8952 (9)	0.6894 (3)	−0.1648 (5)	0.085 (4)
H15C	0.9269	0.6741	−0.1825	0.102*
C16C	0.9131 (10)	0.7183 (3)	−0.1785 (5)	0.089 (4)
H16C	0.9568	0.7227	−0.2054	0.107*
C17C	0.8666 (9)	0.7407 (2)	−0.1523 (5)	0.074 (3)
H17C	0.8789	0.7604	−0.1617	0.089*
C18C	0.8016 (8)	0.7346 (2)	−0.1122 (4)	0.061 (3)
H18C	0.7706	0.7502	−0.0947	0.073*
S1C	0.7344 (2)	0.75545 (6)	0.13147 (11)	0.0545 (6)
C19C	0.7652 (6)	0.79377 (18)	0.1330 (3)	0.052 (2)
C20C	0.7404 (6)	0.80998 (19)	0.1805 (4)	0.065 (3)
C21C	0.7636 (8)	0.8396 (2)	0.1885 (4)	0.086 (4)
C22C	0.8134 (10)	0.8542 (2)	0.1493 (5)	0.096 (4)
C23C	0.8394 (9)	0.8393 (2)	0.1021 (5)	0.083 (3)
C24C	0.8135 (8)	0.80988 (19)	0.0939 (4)	0.059 (2)
F20C	0.6902 (6)	0.79685 (16)	0.2199 (3)	0.093 (2)
F21C	0.7369 (8)	0.85480 (18)	0.2342 (4)	0.133 (3)
F22C	0.8384 (8)	0.88328 (16)	0.1564 (4)	0.135 (3)
F23C	0.8880 (6)	0.85326 (16)	0.0623 (4)	0.114 (3)
F24C	0.8357 (5)	0.79645 (14)	0.0451 (3)	0.0751 (18)
S2C	0.6110 (2)	0.76131 (6)	−0.01677 (11)	0.0582 (7)
C25C	0.5824 (7)	0.79400 (17)	0.0216 (4)	0.047 (2)
C26C	0.5188 (7)	0.79306 (18)	0.0646 (4)	0.057 (2)
C27C	0.4951 (8)	0.81813 (19)	0.0933 (4)	0.066 (3)
C28C	0.5283 (8)	0.84523 (19)	0.0772 (4)	0.069 (3)
C29C	0.5871 (8)	0.84745 (17)	0.0334 (4)	0.062 (3)
C30C	0.6105 (7)	0.82195 (17)	0.0052 (4)	0.052 (2)
F26C	0.4817 (5)	0.76734 (13)	0.0805 (3)	0.0752 (18)
F27C	0.4359 (6)	0.81663 (17)	0.1357 (3)	0.101 (2)
F28C	0.5040 (7)	0.87020 (15)	0.1044 (3)	0.106 (3)
F29C	0.6183 (6)	0.87415 (13)	0.0165 (3)	0.096 (2)
F30C	0.6689 (5)	0.82440 (15)	−0.0375 (3)	0.086 (2)
S3C	0.6361 (2)	0.69189 (6)	0.07957 (11)	0.0594 (7)
C31C	0.6426 (6)	0.6963 (2)	0.1573 (3)	0.059 (3)
C32C	0.7277 (7)	0.6863 (2)	0.1970 (4)	0.069 (3)
C33C	0.7322 (8)	0.6888 (3)	0.2573 (4)	0.087 (4)
C34C	0.6537 (8)	0.7027 (3)	0.2787 (4)	0.092 (4)
C35C	0.5665 (8)	0.7115 (3)	0.2411 (4)	0.089 (4)
C36C	0.5621 (7)	0.7084 (2)	0.1811 (4)	0.064 (3)
F32C	0.8056 (5)	0.67286 (18)	0.1771 (4)	0.108 (3)
F33C	0.8168 (7)	0.6802 (2)	0.2948 (4)	0.153 (4)
F34C	0.6569 (9)	0.7054 (2)	0.3377 (3)	0.158 (5)
F35C	0.4855 (8)	0.7239 (2)	0.2615 (4)	0.147 (4)
F36C	0.4753 (5)	0.71718 (18)	0.1450 (3)	0.099 (2)
S4C	0.8804 (2)	0.72310 (6)	0.03597 (11)	0.0556 (6)
C37C	0.9700 (7)	0.7455 (2)	0.0857 (3)	0.056 (2)
C38C	1.0247 (7)	0.7667 (2)	0.0596 (3)	0.059 (3)
C39C	1.1046 (8)	0.7827 (2)	0.0919 (4)	0.076 (3)
C40C	1.1303 (8)	0.7778 (2)	0.1515 (4)	0.071 (3)
C41C	1.0787 (7)	0.7572 (2)	0.1790 (4)	0.064 (3)
C42C	1.0008 (7)	0.7407 (2)	0.1461 (4)	0.061 (3)
F38C	1.0001 (5)	0.77225 (15)	0.0015 (2)	0.0749 (18)
F39C	1.1557 (6)	0.80312 (17)	0.0659 (3)	0.110 (3)
F40C	1.2089 (6)	0.79339 (17)	0.1842 (3)	0.105 (3)
F41C	1.1041 (6)	0.75297 (16)	0.2379 (3)	0.092 (2)
F42C	0.9530 (5)	0.71980 (14)	0.1738 (3)	0.0777 (18)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Os1A	0.0464 (2)	0.0513 (2)	0.0348 (2)	−0.00265 (18)	0.00334 (16)	−0.00362 (17)
P1A	0.0445 (14)	0.0521 (14)	0.0373 (13)	−0.0052 (12)	0.0060 (11)	−0.0041 (11)
C1A	0.045 (5)	0.058 (5)	0.038 (5)	−0.012 (4)	0.012 (4)	−0.003 (4)
C2A	0.056 (6)	0.058 (5)	0.058 (6)	−0.001 (5)	0.007 (4)	−0.007 (5)
C3A	0.077 (7)	0.066 (6)	0.067 (7)	0.006 (5)	0.010 (5)	0.008 (6)
C4A	0.088 (8)	0.052 (6)	0.081 (8)	−0.001 (5)	0.020 (6)	0.009 (5)
C5A	0.091 (8)	0.052 (5)	0.087 (9)	−0.014 (6)	0.018 (6)	−0.012 (6)
C6A	0.052 (6)	0.060 (6)	0.066 (7)	−0.012 (5)	−0.001 (5)	0.004 (5)
C7A	0.044 (5)	0.050 (5)	0.045 (5)	−0.011 (4)	0.007 (4)	−0.006 (4)
C8A	0.080 (8)	0.061 (6)	0.061 (7)	−0.003 (6)	0.025 (5)	0.003 (5)
C9A	0.083 (9)	0.082 (7)	0.070 (8)	−0.019 (6)	0.029 (6)	0.012 (6)
C10A	0.074 (8)	0.112 (8)	0.080 (9)	−0.013 (7)	0.042 (7)	0.006 (7)
C11A	0.085 (9)	0.087 (7)	0.093 (9)	0.005 (7)	0.052 (7)	−0.001 (7)
C12A	0.070 (7)	0.060 (6)	0.067 (7)	−0.003 (5)	0.032 (5)	−0.006 (5)
C13A	0.052 (5)	0.057 (6)	0.036 (4)	−0.003 (5)	0.004 (4)	−0.004 (4)
C14A	0.059 (5)	0.092 (8)	0.044 (5)	−0.011 (6)	0.008 (4)	−0.004 (6)
C15A	0.075 (7)	0.098 (9)	0.050 (6)	−0.012 (7)	−0.011 (4)	−0.002 (6)
C16A	0.053 (6)	0.096 (9)	0.077 (6)	−0.005 (6)	−0.020 (5)	0.009 (7)
C17A	0.044 (5)	0.086 (8)	0.083 (6)	0.002 (6)	0.002 (5)	−0.004 (7)
C18A	0.054 (5)	0.076 (7)	0.050 (5)	0.003 (6)	0.009 (4)	−0.003 (5)
S1A	0.0536 (15)	0.0651 (17)	0.0420 (13)	0.0018 (13)	0.0000 (11)	−0.0116 (12)
C19A	0.070 (5)	0.045 (5)	0.043 (5)	0.000 (5)	0.013 (5)	0.008 (4)
C20A	0.100 (8)	0.060 (7)	0.041 (6)	0.008 (6)	0.008 (6)	0.001 (5)
C21A	0.152 (10)	0.049 (7)	0.059 (7)	0.008 (7)	0.035 (8)	−0.005 (5)
C22A	0.134 (9)	0.076 (9)	0.103 (11)	0.039 (8)	0.055 (10)	0.007 (6)
C23A	0.077 (8)	0.083 (9)	0.116 (11)	0.015 (6)	0.042 (7)	0.011 (7)
C24A	0.068 (6)	0.066 (7)	0.073 (8)	0.007 (5)	0.020 (6)	0.008 (5)
F20A	0.106 (6)	0.089 (5)	0.071 (4)	−0.008 (4)	0.001 (4)	−0.028 (4)
F21A	0.209 (10)	0.082 (5)	0.087 (6)	0.022 (6)	0.034 (6)	−0.035 (4)
F22A	0.192 (10)	0.137 (8)	0.163 (9)	0.069 (7)	0.106 (8)	−0.002 (7)
F23A	0.088 (6)	0.167 (9)	0.186 (10)	0.028 (6)	0.058 (6)	0.005 (8)
F24A	0.059 (4)	0.081 (5)	0.106 (5)	−0.002 (3)	0.008 (4)	−0.008 (4)
S2A	0.0735 (18)	0.0639 (17)	0.0398 (13)	−0.0138 (14)	0.0134 (13)	−0.0065 (12)
C25A	0.050 (5)	0.067 (7)	0.041 (5)	−0.002 (5)	0.006 (4)	−0.004 (5)
C26A	0.055 (6)	0.074 (7)	0.061 (6)	−0.002 (6)	0.010 (5)	0.014 (6)
C27A	0.058 (6)	0.072 (7)	0.062 (6)	−0.003 (6)	−0.014 (5)	0.010 (6)
C28A	0.094 (7)	0.065 (7)	0.038 (5)	−0.027 (6)	0.012 (4)	0.002 (5)
C29A	0.071 (6)	0.087 (8)	0.062 (6)	0.004 (6)	0.032 (5)	0.005 (6)
C30A	0.053 (5)	0.067 (7)	0.051 (5)	−0.005 (5)	0.008 (5)	−0.004 (5)
F26A	0.067 (4)	0.119 (6)	0.106 (6)	0.023 (4)	0.025 (4)	0.023 (5)
F27A	0.093 (6)	0.139 (7)	0.091 (5)	−0.011 (5)	−0.034 (4)	0.034 (5)
F28A	0.159 (8)	0.122 (6)	0.049 (4)	−0.026 (6)	0.019 (4)	0.006 (4)
F29A	0.118 (6)	0.143 (7)	0.085 (5)	0.020 (5)	0.058 (5)	0.011 (5)
F30A	0.050 (4)	0.133 (6)	0.080 (5)	−0.001 (4)	0.004 (3)	0.020 (4)
S3A	0.0424 (14)	0.0740 (18)	0.0560 (15)	−0.0032 (13)	0.0018 (12)	−0.0188 (13)
C31A	0.044 (6)	0.065 (6)	0.054 (5)	−0.002 (5)	−0.006 (4)	−0.007 (5)
C32A	0.064 (7)	0.086 (8)	0.057 (6)	−0.006 (6)	0.015 (5)	−0.001 (5)
C33A	0.071 (8)	0.069 (7)	0.083 (7)	−0.016 (6)	0.032 (6)	−0.006 (6)
C34A	0.051 (6)	0.069 (7)	0.090 (7)	−0.012 (5)	0.000 (6)	−0.015 (6)
C35A	0.060 (7)	0.064 (7)	0.073 (7)	0.002 (5)	−0.033 (5)	0.010 (5)
C36A	0.060 (7)	0.063 (7)	0.068 (6)	−0.006 (5)	−0.022 (5)	0.008 (5)
F32A	0.121 (6)	0.115 (6)	0.061 (4)	−0.032 (5)	0.019 (4)	0.011 (4)
F33A	0.124 (7)	0.114 (6)	0.104 (6)	−0.059 (5)	0.027 (5)	−0.001 (5)
F34A	0.073 (5)	0.081 (5)	0.135 (7)	−0.023 (4)	−0.012 (4)	−0.034 (5)
F35A	0.132 (7)	0.106 (6)	0.101 (6)	−0.025 (5)	−0.064 (5)	0.021 (5)
F36A	0.115 (6)	0.084 (5)	0.091 (5)	−0.027 (4)	−0.032 (4)	0.031 (4)
S4A	0.0759 (18)	0.0604 (16)	0.0402 (13)	0.0065 (14)	−0.0017 (12)	−0.0025 (12)
C37A	0.097 (8)	0.050 (6)	0.046 (6)	0.013 (5)	−0.008 (6)	0.008 (5)
C38A	0.125 (9)	0.104 (9)	0.055 (8)	0.054 (8)	−0.013 (8)	0.011 (7)
C39A	0.214 (15)	0.112 (11)	0.054 (8)	0.104 (11)	0.007 (10)	0.009 (7)
C40A	0.31 (2)	0.084 (11)	0.062 (10)	0.046 (11)	0.001 (14)	0.000 (8)
C41A	0.249 (17)	0.083 (9)	0.044 (7)	−0.042 (11)	−0.003 (11)	0.006 (6)
C42A	0.155 (10)	0.090 (9)	0.044 (7)	−0.034 (8)	0.018 (8)	0.008 (6)
F38A	0.103 (6)	0.169 (9)	0.092 (6)	0.062 (6)	−0.002 (5)	0.009 (6)
F39A	0.302 (16)	0.223 (13)	0.097 (7)	0.201 (12)	0.008 (8)	0.002 (7)
F40A	0.47 (2)	0.091 (7)	0.090 (7)	0.087 (10)	−0.009 (10)	−0.022 (6)
F41A	0.376 (19)	0.114 (8)	0.092 (7)	−0.113 (10)	0.002 (9)	−0.003 (6)
F42A	0.138 (7)	0.120 (7)	0.092 (6)	−0.054 (6)	0.015 (5)	0.007 (5)
Os1B	0.0506 (2)	0.0464 (2)	0.0374 (2)	0.00182 (18)	0.00559 (16)	0.00018 (17)
P1B	0.0500 (15)	0.0514 (15)	0.0404 (13)	0.0036 (12)	0.0054 (11)	0.0036 (11)
C1B	0.053 (5)	0.043 (5)	0.043 (5)	0.007 (4)	0.001 (4)	0.007 (4)
C2B	0.061 (6)	0.078 (8)	0.050 (6)	0.003 (6)	0.010 (4)	0.010 (5)
C3B	0.047 (5)	0.103 (10)	0.075 (7)	0.000 (6)	−0.001 (5)	0.014 (7)
C4B	0.057 (6)	0.084 (9)	0.086 (7)	0.003 (6)	−0.013 (6)	−0.004 (7)
C5B	0.068 (6)	0.116 (11)	0.060 (7)	−0.004 (7)	−0.016 (5)	−0.018 (7)
C6B	0.059 (6)	0.094 (9)	0.046 (5)	−0.010 (6)	0.003 (5)	−0.003 (6)
C7B	0.056 (6)	0.049 (5)	0.049 (6)	0.000 (4)	0.010 (4)	0.003 (4)
C8B	0.061 (6)	0.052 (5)	0.068 (7)	−0.007 (5)	0.006 (5)	0.009 (5)
C9B	0.056 (6)	0.057 (6)	0.084 (8)	−0.013 (5)	0.005 (5)	−0.004 (5)
C10B	0.077 (8)	0.049 (6)	0.093 (9)	−0.003 (5)	0.016 (6)	−0.003 (5)
C11B	0.080 (8)	0.070 (6)	0.081 (8)	0.007 (6)	0.008 (5)	0.037 (6)
C12B	0.076 (8)	0.062 (6)	0.067 (7)	0.003 (6)	−0.002 (5)	0.012 (5)
C13B	0.054 (6)	0.061 (6)	0.044 (5)	0.008 (5)	0.003 (4)	0.003 (4)
C14B	0.064 (7)	0.073 (6)	0.049 (6)	0.003 (5)	0.007 (5)	0.011 (5)
C15B	0.079 (8)	0.101 (7)	0.067 (8)	−0.003 (7)	0.023 (6)	0.000 (7)
C16B	0.069 (8)	0.122 (9)	0.052 (7)	0.001 (7)	0.024 (5)	−0.019 (7)
C17B	0.065 (7)	0.083 (7)	0.072 (8)	0.014 (6)	0.016 (5)	−0.020 (6)
C18B	0.051 (6)	0.075 (6)	0.061 (7)	0.001 (5)	0.010 (5)	−0.003 (5)
S1B	0.0710 (17)	0.0543 (15)	0.0368 (13)	0.0051 (13)	0.0097 (12)	−0.0003 (11)
C19B	0.055 (6)	0.051 (5)	0.045 (5)	−0.002 (5)	0.002 (4)	0.001 (4)
C20B	0.081 (8)	0.072 (6)	0.041 (5)	0.017 (6)	0.006 (5)	0.006 (5)
C21B	0.113 (11)	0.077 (7)	0.071 (8)	0.022 (7)	0.028 (7)	0.031 (6)
C22B	0.114 (11)	0.068 (8)	0.103 (10)	0.044 (8)	0.030 (8)	0.023 (6)
C23B	0.069 (7)	0.074 (7)	0.071 (7)	0.014 (6)	0.017 (6)	−0.007 (6)
C24B	0.055 (6)	0.061 (6)	0.047 (5)	−0.006 (5)	0.007 (5)	0.001 (5)
F20B	0.134 (6)	0.081 (5)	0.062 (4)	0.024 (4)	0.045 (4)	0.018 (4)
F21B	0.202 (10)	0.100 (6)	0.099 (6)	0.028 (6)	0.053 (6)	0.057 (5)
F22B	0.216 (11)	0.078 (6)	0.151 (8)	0.077 (6)	0.065 (8)	0.035 (5)
F23B	0.128 (7)	0.087 (5)	0.114 (6)	0.037 (5)	0.055 (5)	−0.008 (5)
F24B	0.082 (4)	0.073 (4)	0.059 (4)	−0.002 (3)	0.031 (3)	−0.004 (3)
S2B	0.0645 (16)	0.0550 (15)	0.0450 (14)	−0.0072 (13)	0.0003 (12)	0.0020 (12)
C25B	0.050 (6)	0.048 (5)	0.050 (5)	−0.003 (4)	0.005 (4)	−0.005 (4)
C26B	0.058 (6)	0.065 (6)	0.056 (6)	−0.006 (5)	0.014 (5)	−0.014 (5)
C27B	0.074 (8)	0.081 (7)	0.052 (6)	−0.019 (6)	0.024 (5)	−0.009 (5)
C28B	0.085 (9)	0.073 (6)	0.067 (7)	−0.008 (6)	0.009 (6)	0.006 (6)
C29B	0.066 (7)	0.049 (5)	0.080 (8)	0.008 (5)	0.007 (5)	−0.008 (5)
C30B	0.049 (6)	0.066 (6)	0.045 (6)	0.003 (5)	0.003 (4)	−0.013 (4)
F26B	0.088 (5)	0.069 (4)	0.099 (5)	0.007 (4)	0.034 (4)	−0.026 (4)
F27B	0.136 (7)	0.110 (6)	0.089 (5)	−0.037 (5)	0.062 (5)	−0.014 (4)
F28B	0.172 (9)	0.077 (5)	0.119 (7)	−0.021 (5)	0.044 (6)	0.027 (5)
F29B	0.112 (6)	0.062 (4)	0.141 (7)	0.012 (4)	0.029 (5)	−0.016 (4)
F30B	0.095 (5)	0.091 (5)	0.081 (5)	−0.003 (4)	0.038 (4)	−0.027 (4)
S3B	0.090 (2)	0.0618 (17)	0.0501 (15)	0.0200 (16)	0.0181 (15)	0.0007 (13)
C31B	0.074 (7)	0.060 (7)	0.044 (5)	0.020 (5)	0.016 (4)	−0.011 (5)
C32B	0.081 (8)	0.087 (9)	0.080 (7)	0.016 (7)	0.007 (6)	−0.038 (7)
C33B	0.118 (10)	0.138 (14)	0.064 (6)	0.062 (9)	−0.021 (7)	−0.039 (9)
C34B	0.169 (13)	0.121 (13)	0.049 (7)	0.087 (11)	0.022 (7)	0.019 (7)
C35B	0.135 (11)	0.064 (8)	0.094 (8)	0.028 (8)	0.056 (7)	0.021 (7)
C36B	0.074 (7)	0.062 (7)	0.063 (6)	0.024 (6)	0.011 (6)	0.002 (6)
F32B	0.080 (5)	0.154 (8)	0.160 (8)	−0.013 (6)	0.017 (5)	−0.081 (7)
F33B	0.190 (10)	0.218 (12)	0.097 (7)	0.097 (9)	−0.058 (7)	−0.075 (7)
F34B	0.337 (17)	0.217 (12)	0.067 (6)	0.137 (12)	0.068 (8)	0.054 (7)
F35B	0.214 (11)	0.100 (7)	0.192 (11)	0.011 (7)	0.133 (9)	0.035 (7)
F36B	0.078 (5)	0.073 (5)	0.128 (6)	0.005 (4)	0.016 (5)	−0.020 (4)
S4B	0.0456 (14)	0.0668 (17)	0.0522 (15)	−0.0003 (13)	0.0011 (11)	0.0145 (13)
C37B	0.049 (6)	0.052 (6)	0.055 (5)	−0.005 (4)	0.000 (4)	0.002 (5)
C38B	0.054 (6)	0.069 (7)	0.070 (7)	0.004 (5)	0.011 (5)	0.014 (5)
C39B	0.063 (8)	0.111 (11)	0.113 (9)	0.031 (7)	0.007 (7)	0.012 (8)
C40B	0.076 (9)	0.083 (9)	0.104 (8)	−0.003 (6)	−0.017 (7)	0.042 (7)
C41B	0.080 (9)	0.110 (10)	0.057 (7)	−0.024 (6)	−0.012 (6)	0.012 (6)
C42B	0.059 (6)	0.076 (8)	0.064 (6)	−0.014 (5)	0.000 (5)	0.000 (5)
F38B	0.075 (4)	0.102 (5)	0.076 (5)	0.007 (4)	0.024 (4)	−0.015 (4)
F39B	0.099 (6)	0.130 (8)	0.159 (8)	0.048 (6)	0.021 (6)	0.022 (6)
F40B	0.112 (7)	0.168 (9)	0.148 (8)	0.019 (6)	−0.054 (6)	0.063 (7)
F41B	0.139 (7)	0.163 (8)	0.059 (5)	−0.042 (6)	−0.028 (5)	0.009 (5)
F42B	0.095 (5)	0.095 (5)	0.080 (5)	−0.010 (4)	0.008 (4)	−0.028 (4)
Os1C	0.0501 (2)	0.0479 (2)	0.03768 (19)	−0.00348 (18)	0.00903 (16)	−0.00198 (17)
P1C	0.0492 (14)	0.0508 (14)	0.0403 (13)	−0.0033 (12)	0.0090 (11)	−0.0039 (11)
C1C	0.054 (5)	0.052 (6)	0.040 (4)	−0.001 (5)	0.002 (4)	−0.005 (4)
C2C	0.058 (6)	0.069 (7)	0.057 (6)	−0.005 (6)	0.011 (4)	−0.004 (5)
C3C	0.048 (5)	0.077 (8)	0.083 (6)	−0.014 (6)	0.003 (5)	0.001 (7)
C4C	0.065 (6)	0.089 (9)	0.083 (7)	−0.004 (7)	−0.016 (6)	0.013 (7)
C5C	0.081 (7)	0.108 (10)	0.047 (6)	−0.005 (8)	−0.011 (5)	0.012 (7)
C6C	0.058 (6)	0.097 (9)	0.049 (5)	−0.002 (6)	0.008 (5)	0.005 (6)
C7C	0.051 (5)	0.049 (5)	0.042 (5)	0.000 (4)	0.011 (4)	0.001 (4)
C8C	0.060 (6)	0.069 (6)	0.052 (6)	0.001 (5)	0.002 (4)	−0.001 (5)
C9C	0.069 (7)	0.066 (6)	0.066 (7)	0.013 (5)	0.009 (5)	0.002 (5)
C10C	0.082 (8)	0.059 (6)	0.067 (7)	0.006 (5)	0.023 (5)	0.008 (5)
C11C	0.093 (9)	0.044 (5)	0.104 (10)	0.000 (6)	0.002 (6)	−0.022 (6)
C12C	0.068 (7)	0.052 (5)	0.067 (7)	0.005 (5)	−0.008 (5)	−0.006 (5)
C13C	0.039 (5)	0.049 (5)	0.052 (6)	−0.004 (4)	0.003 (4)	−0.001 (4)
C14C	0.067 (7)	0.087 (7)	0.058 (7)	0.006 (6)	0.022 (5)	−0.012 (6)
C15C	0.088 (9)	0.098 (7)	0.078 (8)	0.007 (8)	0.043 (7)	−0.006 (7)
C16C	0.081 (9)	0.120 (9)	0.075 (9)	0.012 (8)	0.037 (7)	0.019 (8)
C17C	0.073 (8)	0.084 (7)	0.070 (8)	−0.008 (6)	0.022 (6)	0.015 (6)
C18C	0.061 (7)	0.066 (6)	0.057 (6)	0.001 (5)	0.013 (5)	0.006 (5)
S1C	0.0700 (17)	0.0536 (15)	0.0401 (13)	−0.0058 (13)	0.0105 (12)	−0.0044 (11)
C19C	0.054 (6)	0.048 (5)	0.051 (6)	−0.005 (5)	−0.001 (4)	−0.006 (4)
C20C	0.063 (7)	0.072 (6)	0.058 (6)	−0.013 (6)	0.005 (5)	−0.013 (5)
C21C	0.096 (10)	0.076 (7)	0.082 (8)	−0.006 (7)	0.004 (7)	−0.037 (7)
C22C	0.106 (11)	0.057 (7)	0.116 (11)	−0.027 (7)	−0.006 (8)	−0.017 (6)
C23C	0.070 (8)	0.080 (7)	0.098 (9)	−0.030 (7)	0.008 (7)	0.009 (6)
C24C	0.055 (6)	0.066 (6)	0.057 (6)	−0.002 (5)	0.009 (5)	−0.001 (5)
F20C	0.123 (6)	0.099 (5)	0.064 (4)	−0.010 (5)	0.036 (4)	−0.026 (4)
F21C	0.187 (9)	0.103 (6)	0.111 (7)	−0.002 (6)	0.029 (6)	−0.058 (5)
F22C	0.166 (9)	0.071 (5)	0.161 (9)	−0.041 (5)	0.013 (7)	−0.028 (5)
F23C	0.121 (7)	0.083 (5)	0.141 (7)	−0.031 (5)	0.032 (6)	0.023 (5)
F24C	0.080 (4)	0.077 (4)	0.074 (4)	0.001 (3)	0.027 (4)	0.013 (3)
S2C	0.0683 (17)	0.0576 (16)	0.0462 (14)	0.0059 (13)	0.0035 (13)	−0.0046 (12)
C25C	0.047 (5)	0.048 (5)	0.044 (5)	0.004 (4)	0.001 (4)	−0.002 (4)
C26C	0.052 (6)	0.061 (6)	0.059 (6)	−0.001 (5)	0.014 (5)	0.013 (5)
C27C	0.070 (7)	0.079 (7)	0.054 (6)	0.008 (6)	0.020 (5)	0.001 (5)
C28C	0.075 (8)	0.062 (6)	0.067 (7)	0.023 (6)	0.007 (5)	−0.001 (6)
C29C	0.063 (7)	0.047 (5)	0.072 (7)	−0.010 (5)	−0.002 (5)	0.007 (5)
C30C	0.052 (6)	0.051 (5)	0.051 (6)	−0.005 (5)	0.001 (4)	0.010 (4)
F26C	0.075 (4)	0.067 (4)	0.089 (5)	−0.001 (3)	0.028 (4)	0.015 (3)
F27C	0.113 (6)	0.105 (6)	0.097 (5)	0.018 (5)	0.053 (5)	0.005 (4)
F28C	0.143 (7)	0.074 (5)	0.102 (6)	0.026 (5)	0.028 (5)	−0.015 (4)
F29C	0.105 (6)	0.055 (4)	0.124 (6)	−0.018 (4)	0.012 (5)	0.013 (4)
F30C	0.089 (5)	0.099 (5)	0.078 (4)	0.007 (4)	0.037 (4)	0.028 (4)
S3C	0.0754 (18)	0.0589 (16)	0.0473 (14)	−0.0183 (14)	0.0198 (13)	−0.0055 (12)
C31C	0.074 (7)	0.069 (7)	0.036 (5)	−0.015 (5)	0.018 (4)	0.000 (5)
C32C	0.073 (7)	0.058 (7)	0.076 (6)	−0.006 (6)	0.015 (6)	0.010 (6)
C33C	0.101 (9)	0.085 (9)	0.064 (6)	−0.030 (7)	−0.018 (6)	0.023 (7)
C34C	0.152 (12)	0.083 (10)	0.041 (6)	−0.044 (8)	0.017 (6)	−0.002 (6)
C35C	0.133 (10)	0.078 (9)	0.069 (7)	−0.003 (8)	0.054 (7)	0.001 (7)
C36C	0.081 (7)	0.059 (7)	0.055 (5)	−0.003 (6)	0.020 (5)	0.009 (5)
F32C	0.079 (5)	0.125 (7)	0.122 (6)	0.025 (5)	0.026 (5)	0.034 (5)
F33C	0.132 (8)	0.191 (10)	0.111 (7)	−0.065 (7)	−0.048 (6)	0.073 (7)
F34C	0.252 (12)	0.177 (9)	0.047 (4)	−0.093 (9)	0.032 (6)	−0.015 (5)
F35C	0.214 (11)	0.124 (7)	0.136 (8)	0.021 (7)	0.120 (8)	−0.004 (6)
F36C	0.085 (5)	0.116 (6)	0.100 (6)	0.017 (5)	0.035 (4)	0.039 (5)
S4C	0.0470 (14)	0.0685 (17)	0.0509 (15)	−0.0050 (13)	0.0073 (12)	−0.0118 (13)
C37C	0.038 (5)	0.069 (7)	0.057 (5)	0.001 (4)	0.000 (4)	0.006 (5)
C38C	0.057 (6)	0.075 (7)	0.045 (5)	−0.002 (5)	0.008 (4)	0.005 (5)
C39C	0.064 (7)	0.088 (9)	0.073 (6)	−0.017 (6)	0.006 (6)	0.008 (6)
C40C	0.072 (8)	0.056 (7)	0.075 (6)	−0.018 (5)	−0.013 (6)	−0.009 (5)
C41C	0.074 (7)	0.053 (6)	0.058 (6)	0.006 (5)	−0.008 (5)	0.001 (5)
C42C	0.061 (6)	0.057 (6)	0.061 (6)	−0.004 (5)	0.002 (5)	0.013 (5)
F38C	0.076 (4)	0.095 (5)	0.053 (4)	−0.013 (4)	0.011 (3)	0.012 (3)
F39C	0.119 (6)	0.108 (6)	0.103 (6)	−0.062 (5)	0.022 (5)	0.019 (5)
F40C	0.093 (5)	0.100 (6)	0.107 (6)	−0.022 (5)	−0.025 (5)	−0.010 (5)
F41C	0.119 (6)	0.094 (5)	0.052 (4)	−0.001 (4)	−0.018 (4)	0.009 (4)
F42C	0.084 (5)	0.076 (4)	0.070 (4)	−0.003 (4)	0.004 (3)	0.024 (3)

Geometric parameters (Å, º)

Os1A—S4A	2.204 (3)	C20B—C21B	1.367 (10)
Os1A—S2A	2.207 (3)	C21B—F21B	1.343 (9)
Os1A—S3A	2.220 (3)	C21B—C22B	1.358 (10)
Os1A—P1A	2.403 (2)	C22B—F22B	1.342 (10)
Os1A—S1A	2.415 (2)	C22B—C23B	1.362 (10)
P1A—C1A	1.817 (9)	C23B—F23B	1.336 (9)
P1A—C13A	1.819 (8)	C23B—C24B	1.372 (10)
P1A—C7A	1.824 (8)	C24B—F24B	1.338 (8)
C1A—C2A	1.375 (10)	S2B—C25B	1.772 (8)
C1A—C6A	1.396 (10)	C25B—C26B	1.387 (9)
C2A—C3A	1.387 (10)	C25B—C30B	1.377 (9)
C2A—H2AA	0.9300	C26B—F26B	1.322 (9)
C3A—C4A	1.365 (11)	C26B—C27B	1.376 (10)
C3A—H3AA	0.9300	C27B—F27B	1.340 (9)
C4A—C5A	1.361 (11)	C27B—C28B	1.360 (10)
C4A—H4AA	0.9300	C28B—F28B	1.335 (10)
C5A—C6A	1.377 (10)	C28B—C29B	1.359 (10)
C5A—H5AA	0.9300	C29B—F29B	1.335 (9)
C6A—H6AA	0.9300	C29B—C30B	1.374 (10)
C7A—C8A	1.375 (10)	C30B—F30B	1.342 (9)
C7A—C12A	1.393 (10)	S3B—C31B	1.768 (9)
C8A—C9A	1.382 (10)	C31B—C36B	1.377 (10)
C8A—H8AA	0.9300	C31B—C32B	1.385 (10)
C9A—C10A	1.359 (11)	C32B—F32B	1.319 (10)
C9A—H9AA	0.9300	C32B—C33B	1.369 (11)
C10A—C11A	1.363 (11)	C33B—F33B	1.337 (10)
C10A—H10A	0.9300	C33B—C34B	1.350 (11)
C11A—C12A	1.385 (10)	C34B—F34B	1.336 (10)
C11A—H11A	0.9300	C34B—C35B	1.364 (10)
C12A—H12A	0.9300	C35B—F35B	1.330 (10)
C13A—C14A	1.385 (9)	C35B—C36B	1.370 (10)
C13A—C18A	1.381 (10)	C36B—F36B	1.335 (9)
C14A—C15A	1.386 (10)	S4B—C37B	1.783 (9)
C14A—H14A	0.9300	C37B—C42B	1.383 (9)
C15A—C16A	1.359 (11)	C37B—C38B	1.382 (9)
C15A—H15A	0.9300	C38B—F38B	1.329 (9)
C16A—C17A	1.361 (11)	C38B—C39B	1.366 (10)
C16A—H16A	0.9300	C39B—F39B	1.340 (10)
C17A—C18A	1.386 (10)	C39B—C40B	1.362 (10)
C17A—H17A	0.9300	C40B—F40B	1.337 (10)
C18A—H18A	0.9300	C40B—C41B	1.365 (10)
S1A—C19A	1.753 (9)	C41B—F41B	1.338 (10)
C19A—C24A	1.377 (10)	C41B—C42B	1.372 (10)
C19A—C20A	1.388 (9)	C42B—F42B	1.344 (9)
C20A—F20A	1.335 (10)	Os1C—S4C	2.207 (3)
C20A—C21A	1.379 (10)	Os1C—S2C	2.216 (3)
C21A—F21A	1.346 (10)	Os1C—S3C	2.220 (3)
C21A—C22A	1.354 (10)	Os1C—S1C	2.410 (2)
C22A—F22A	1.348 (10)	Os1C—P1C	2.410 (2)
C22A—C23A	1.356 (10)	P1C—C7C	1.813 (8)
C23A—F23A	1.335 (10)	P1C—C13C	1.818 (9)
C23A—C24A	1.381 (10)	P1C—C1C	1.829 (9)
C24A—F24A	1.337 (9)	C1C—C6C	1.383 (10)
S2A—C25A	1.772 (8)	C1C—C2C	1.390 (10)
C25A—C26A	1.377 (9)	C2C—C3C	1.375 (10)
C25A—C30A	1.377 (9)	C2C—H2CA	0.9300
C26A—F26A	1.326 (9)	C3C—C4C	1.365 (11)
C26A—C27A	1.381 (10)	C3C—H3CA	0.9300
C27A—F27A	1.341 (9)	C4C—C5C	1.362 (11)
C27A—C28A	1.350 (10)	C4C—H4CA	0.9300
C28A—F28A	1.348 (9)	C5C—C6C	1.384 (10)
C28A—C29A	1.354 (10)	C5C—H5CA	0.9300
C29A—F29A	1.339 (9)	C6C—H6CA	0.9300
C29A—C30A	1.374 (9)	C7C—C12C	1.383 (10)
C30A—F30A	1.330 (9)	C7C—C8C	1.385 (10)
S3A—C31A	1.781 (8)	C8C—C9C	1.379 (10)
C31A—C32A	1.374 (9)	C8C—H8CA	0.9300
C31A—C36A	1.377 (9)	C9C—C10C	1.370 (11)
C32A—F32A	1.333 (9)	C9C—H9CA	0.9300
C32A—C33A	1.374 (10)	C10C—C11C	1.371 (11)
C33A—F33A	1.341 (9)	C10C—H10C	0.9300
C33A—C34A	1.353 (10)	C11C—C12C	1.365 (10)
C34A—F34A	1.348 (9)	C11C—H11C	0.9300
C34A—C35A	1.354 (10)	C12C—H12C	0.9300
C35A—F35A	1.336 (9)	C13C—C14C	1.381 (10)
C35A—C36A	1.376 (10)	C13C—C18C	1.387 (10)
C36A—F36A	1.322 (9)	C14C—C15C	1.387 (11)
S4A—C37A	1.775 (9)	C14C—H14C	0.9300
C37A—C38A	1.379 (10)	C15C—C16C	1.359 (11)
C37A—C42A	1.378 (10)	C15C—H15C	0.9300
C38A—F38A	1.331 (11)	C16C—C17C	1.361 (11)
C38A—C39A	1.388 (11)	C16C—H16C	0.9300
C39A—F39A	1.335 (11)	C17C—C18C	1.380 (10)
C39A—C40A	1.349 (11)	C17C—H17C	0.9300
C40A—C41A	1.349 (11)	C18C—H18C	0.9300
C40A—F40A	1.354 (11)	S1C—C19C	1.761 (8)
C41A—F41A	1.330 (11)	C19C—C24C	1.382 (9)
C41A—C42A	1.386 (11)	C19C—C20C	1.388 (9)
C42A—F42A	1.321 (11)	C20C—F20C	1.336 (9)
Os1B—S2B	2.214 (3)	C20C—C21C	1.367 (10)
Os1B—S4B	2.214 (3)	C21C—F21C	1.341 (10)
Os1B—S3B	2.218 (3)	C21C—C22C	1.361 (10)
Os1B—P1B	2.405 (2)	C22C—F22C	1.345 (10)
Os1B—S1B	2.414 (2)	C22C—C23C	1.357 (10)
P1B—C7B	1.809 (9)	C23C—F23C	1.348 (10)
P1B—C1B	1.816 (9)	C23C—C24C	1.366 (10)
P1B—C13B	1.820 (9)	C24C—F24C	1.340 (9)
C1B—C6B	1.379 (10)	S2C—C25C	1.779 (8)
C1B—C2B	1.387 (10)	C25C—C30C	1.375 (9)
C2B—C3B	1.370 (10)	C25C—C26C	1.389 (9)
C2B—H2BA	0.9300	C26C—F26C	1.325 (8)
C3B—C4B	1.365 (11)	C26C—C27C	1.363 (9)
C3B—H3BA	0.9300	C27C—F27C	1.340 (9)
C4B—C5B	1.361 (11)	C27C—C28C	1.360 (9)
C4B—H4BA	0.9300	C28C—F28C	1.343 (9)
C5B—C6B	1.387 (10)	C28C—C29C	1.364 (9)
C5B—H5BA	0.9300	C29C—F29C	1.341 (9)
C6B—H6BA	0.9300	C29C—C30C	1.371 (9)
C7B—C12B	1.388 (10)	C30C—F30C	1.342 (8)
C7B—C8B	1.389 (10)	S3C—C31C	1.770 (8)
C8B—C9B	1.377 (10)	C31C—C36C	1.374 (9)
C8B—H8BA	0.9300	C31C—C32C	1.379 (9)
C9B—C10B	1.365 (11)	C32C—F32C	1.328 (9)
C9B—H9BA	0.9300	C32C—C33C	1.371 (10)
C10B—C11B	1.369 (11)	C33C—F33C	1.329 (10)
C10B—H10B	0.9300	C33C—C34C	1.360 (10)
C11B—C12B	1.365 (11)	C34C—F34C	1.344 (10)
C11B—H11B	0.9300	C34C—C35C	1.357 (10)
C12B—H12B	0.9300	C35C—F35C	1.346 (10)
C13B—C14B	1.381 (10)	C35C—C36C	1.367 (10)
C13B—C18B	1.388 (10)	C36C—F36C	1.337 (9)
C14B—C15B	1.382 (11)	S4C—C37C	1.787 (9)
C14B—H14B	0.9300	C37C—C42C	1.384 (9)
C15B—C16B	1.363 (11)	C37C—C38C	1.381 (9)
C15B—H15B	0.9300	C38C—F38C	1.331 (8)
C16B—C17B	1.363 (11)	C38C—C39C	1.368 (10)
C16B—H16B	0.9300	C39C—F39C	1.331 (9)
C17B—C18B	1.371 (10)	C39C—C40C	1.359 (9)
C17B—H17B	0.9300	C40C—F40C	1.352 (9)
C18B—H18B	0.9300	C40C—C41C	1.358 (9)
S1B—C19B	1.752 (8)	C41C—F41C	1.341 (9)
C19B—C24B	1.392 (9)	C41C—C42C	1.367 (9)
C19B—C20B	1.388 (9)	C42C—F42C	1.343 (9)
C20B—F20B	1.335 (9)
S4A—Os1A—S2A	123.74 (11)	C20B—C19B—S1B	116.9 (6)
S4A—Os1A—S3A	116.34 (11)	F20B—C20B—C21B	118.2 (7)
S2A—Os1A—S3A	118.05 (11)	F20B—C20B—C19B	119.1 (7)
S4A—Os1A—P1A	86.78 (9)	C21B—C20B—C19B	122.7 (7)
S2A—Os1A—P1A	85.03 (9)	F21B—C21B—C22B	119.2 (8)
S3A—Os1A—P1A	84.48 (9)	F21B—C21B—C20B	120.2 (8)
S4A—Os1A—S1A	97.17 (9)	C22B—C21B—C20B	120.6 (8)
S2A—Os1A—S1A	96.63 (9)	F22B—C22B—C21B	122.5 (8)
S3A—Os1A—S1A	89.48 (9)	F22B—C22B—C23B	118.3 (8)
P1A—Os1A—S1A	173.81 (9)	C21B—C22B—C23B	119.1 (8)
C1A—P1A—C13A	104.7 (4)	F23B—C23B—C22B	121.1 (8)
C1A—P1A—C7A	103.7 (4)	F23B—C23B—C24B	118.9 (8)
C13A—P1A—C7A	104.5 (4)	C22B—C23B—C24B	120.0 (8)
C1A—P1A—Os1A	113.6 (3)	F24B—C24B—C23B	118.1 (7)
C13A—P1A—Os1A	115.2 (3)	F24B—C24B—C19B	119.0 (7)
C7A—P1A—Os1A	114.0 (3)	C23B—C24B—C19B	122.9 (7)
C2A—C1A—C6A	117.9 (8)	C25B—S2B—Os1B	115.7 (3)
C2A—C1A—P1A	120.3 (6)	C26B—C25B—C30B	116.4 (7)
C6A—C1A—P1A	121.8 (6)	C26B—C25B—S2B	122.9 (6)
C1A—C2A—C3A	121.5 (8)	C30B—C25B—S2B	120.3 (6)
C1A—C2A—H2AA	119.3	F26B—C26B—C27B	118.0 (7)
C3A—C2A—H2AA	119.3	F26B—C26B—C25B	121.1 (7)
C4A—C3A—C2A	119.3 (9)	C27B—C26B—C25B	120.9 (7)
C4A—C3A—H3AA	120.3	F27B—C27B—C28B	119.2 (8)
C2A—C3A—H3AA	120.3	F27B—C27B—C26B	120.3 (8)
C5A—C4A—C3A	120.5 (9)	C28B—C27B—C26B	120.5 (7)
C5A—C4A—H4AA	119.8	F28B—C28B—C27B	121.1 (8)
C3A—C4A—H4AA	119.8	F28B—C28B—C29B	118.7 (8)
C4A—C5A—C6A	120.5 (9)	C27B—C28B—C29B	120.2 (8)
C4A—C5A—H5AA	119.7	F29B—C29B—C28B	121.4 (8)
C6A—C5A—H5AA	119.7	F29B—C29B—C30B	119.6 (8)
C5A—C6A—C1A	120.3 (8)	C28B—C29B—C30B	119.0 (7)
C5A—C6A—H6AA	119.9	F30B—C30B—C29B	118.7 (7)
C1A—C6A—H6AA	119.9	F30B—C30B—C25B	118.4 (7)
C8A—C7A—C12A	118.4 (8)	C29B—C30B—C25B	122.9 (7)
C8A—C7A—P1A	120.8 (6)	C31B—S3B—Os1B	112.9 (3)
C12A—C7A—P1A	120.6 (6)	C36B—C31B—C32B	117.7 (8)
C7A—C8A—C9A	121.4 (8)	C36B—C31B—S3B	121.4 (6)
C7A—C8A—H8AA	119.3	C32B—C31B—S3B	120.8 (6)
C9A—C8A—H8AA	119.3	F32B—C32B—C33B	118.8 (9)
C10A—C9A—C8A	119.7 (9)	F32B—C32B—C31B	120.7 (9)
C10A—C9A—H9AA	120.2	C33B—C32B—C31B	120.6 (8)
C8A—C9A—H9AA	120.2	F33B—C33B—C34B	118.8 (9)
C9A—C10A—C11A	120.0 (9)	F33B—C33B—C32B	120.8 (10)
C9A—C10A—H10A	120.0	C34B—C33B—C32B	120.2 (9)
C11A—C10A—H10A	120.0	F34B—C34B—C33B	120.7 (10)
C10A—C11A—C12A	121.2 (9)	F34B—C34B—C35B	118.7 (10)
C10A—C11A—H11A	119.4	C33B—C34B—C35B	120.7 (9)
C12A—C11A—H11A	119.4	F35B—C35B—C34B	121.1 (9)
C11A—C12A—C7A	119.3 (8)	F35B—C35B—C36B	119.5 (9)
C11A—C12A—H12A	120.4	C34B—C35B—C36B	119.3 (9)
C7A—C12A—H12A	120.4	F36B—C36B—C35B	119.2 (8)
C14A—C13A—C18A	118.5 (8)	F36B—C36B—C31B	119.4 (8)
C14A—C13A—P1A	120.9 (6)	C35B—C36B—C31B	121.4 (8)
C18A—C13A—P1A	120.5 (6)	C37B—S4B—Os1B	117.2 (3)
C13A—C14A—C15A	120.6 (8)	C42B—C37B—C38B	116.8 (8)
C13A—C14A—H14A	119.7	C42B—C37B—S4B	124.6 (6)
C15A—C14A—H14A	119.7	C38B—C37B—S4B	117.7 (6)
C16A—C15A—C14A	120.0 (9)	F38B—C38B—C39B	118.1 (8)
C16A—C15A—H15A	120.0	F38B—C38B—C37B	120.4 (7)
C14A—C15A—H15A	120.0	C39B—C38B—C37B	121.4 (8)
C15A—C16A—C17A	120.2 (9)	F39B—C39B—C40B	119.0 (8)
C15A—C16A—H16A	119.9	F39B—C39B—C38B	120.6 (9)
C17A—C16A—H16A	119.9	C40B—C39B—C38B	120.4 (8)
C16A—C17A—C18A	120.5 (9)	F40B—C40B—C39B	120.3 (9)
C16A—C17A—H17A	119.7	F40B—C40B—C41B	119.8 (9)
C18A—C17A—H17A	119.7	C39B—C40B—C41B	119.8 (9)
C17A—C18A—C13A	120.1 (8)	F41B—C41B—C40B	120.6 (8)
C17A—C18A—H18A	120.0	F41B—C41B—C42B	119.9 (9)
C13A—C18A—H18A	120.0	C40B—C41B—C42B	119.5 (8)
C19A—S1A—Os1A	117.6 (3)	F42B—C42B—C41B	119.1 (8)
C24A—C19A—C20A	115.7 (8)	F42B—C42B—C37B	119.0 (7)
C24A—C19A—S1A	127.0 (6)	C41B—C42B—C37B	122.0 (8)
C20A—C19A—S1A	117.2 (6)	S4C—Os1C—S2C	123.96 (11)
F20A—C20A—C21A	118.1 (8)	S4C—Os1C—S3C	116.69 (11)
F20A—C20A—C19A	119.8 (8)	S2C—Os1C—S3C	117.29 (11)
C21A—C20A—C19A	122.0 (8)	S4C—Os1C—S1C	96.67 (9)
F21A—C21A—C22A	120.1 (9)	S2C—Os1C—S1C	97.89 (9)
F21A—C21A—C20A	119.6 (9)	S3C—Os1C—S1C	89.35 (9)
C22A—C21A—C20A	120.3 (8)	S4C—Os1C—P1C	84.51 (9)
F22A—C22A—C21A	120.4 (9)	S2C—Os1C—P1C	85.67 (9)
F22A—C22A—C23A	120.1 (9)	S3C—Os1C—P1C	85.50 (9)
C21A—C22A—C23A	119.5 (9)	S1C—Os1C—P1C	174.69 (9)
F23A—C23A—C22A	120.8 (9)	C7C—P1C—C13C	104.7 (4)
F23A—C23A—C24A	119.0 (9)	C7C—P1C—C1C	103.5 (4)
C22A—C23A—C24A	120.2 (9)	C13C—P1C—C1C	103.8 (4)
F24A—C24A—C19A	120.8 (7)	C7C—P1C—Os1C	115.0 (3)
F24A—C24A—C23A	116.9 (8)	C13C—P1C—Os1C	113.1 (3)
C19A—C24A—C23A	122.3 (8)	C1C—P1C—Os1C	115.5 (3)
C25A—S2A—Os1A	117.5 (3)	C6C—C1C—C2C	118.1 (8)
C26A—C25A—C30A	116.6 (7)	C6C—C1C—P1C	121.6 (6)
C26A—C25A—S2A	120.0 (6)	C2C—C1C—P1C	120.3 (6)
C30A—C25A—S2A	122.6 (6)	C3C—C2C—C1C	121.2 (8)
F26A—C26A—C25A	120.6 (7)	C3C—C2C—H2CA	119.4
F26A—C26A—C27A	118.1 (8)	C1C—C2C—H2CA	119.4
C25A—C26A—C27A	121.2 (7)	C4C—C3C—C2C	119.7 (9)
F27A—C27A—C28A	120.3 (8)	C4C—C3C—H3CA	120.1
F27A—C27A—C26A	119.4 (8)	C2C—C3C—H3CA	120.1
C28A—C27A—C26A	120.3 (7)	C5C—C4C—C3C	120.3 (9)
F28A—C28A—C27A	119.8 (8)	C5C—C4C—H4CA	119.9
F28A—C28A—C29A	119.9 (8)	C3C—C4C—H4CA	119.9
C27A—C28A—C29A	120.2 (8)	C4C—C5C—C6C	120.6 (9)
F29A—C29A—C28A	120.9 (8)	C4C—C5C—H5CA	119.7
F29A—C29A—C30A	119.6 (8)	C6C—C5C—H5CA	119.7
C28A—C29A—C30A	119.4 (8)	C5C—C6C—C1C	120.1 (8)
F30A—C30A—C29A	117.1 (7)	C5C—C6C—H6CA	119.9
F30A—C30A—C25A	120.6 (7)	C1C—C6C—H6CA	119.9
C29A—C30A—C25A	122.3 (7)	C12C—C7C—C8C	118.8 (8)
C31A—S3A—Os1A	115.3 (4)	C12C—C7C—P1C	121.5 (6)
C32A—C31A—C36A	117.3 (8)	C8C—C7C—P1C	119.7 (6)
C32A—C31A—S3A	118.8 (6)	C9C—C8C—C7C	120.5 (8)
C36A—C31A—S3A	123.6 (6)	C9C—C8C—H8CA	119.7
F32A—C32A—C31A	119.9 (8)	C7C—C8C—H8CA	119.7
F32A—C32A—C33A	118.6 (8)	C10C—C9C—C8C	120.6 (9)
C31A—C32A—C33A	121.4 (8)	C10C—C9C—H9CA	119.7
F33A—C33A—C34A	120.5 (8)	C8C—C9C—H9CA	119.7
F33A—C33A—C32A	119.7 (8)	C9C—C10C—C11C	118.4 (9)
C34A—C33A—C32A	119.8 (8)	C9C—C10C—H10C	120.8
F34A—C34A—C33A	119.5 (8)	C11C—C10C—H10C	120.8
F34A—C34A—C35A	120.0 (8)	C12C—C11C—C10C	122.3 (9)
C33A—C34A—C35A	120.5 (8)	C12C—C11C—H11C	118.9
F35A—C35A—C34A	120.0 (8)	C10C—C11C—H11C	118.9
F35A—C35A—C36A	120.2 (8)	C11C—C12C—C7C	119.5 (8)
C34A—C35A—C36A	119.8 (8)	C11C—C12C—H12C	120.2
F36A—C36A—C31A	120.8 (7)	C7C—C12C—H12C	120.2
F36A—C36A—C35A	117.9 (7)	C14C—C13C—C18C	118.3 (8)
C31A—C36A—C35A	121.2 (8)	C14C—C13C—P1C	122.6 (6)
C37A—S4A—Os1A	115.1 (3)	C18C—C13C—P1C	118.9 (6)
C38A—C37A—C42A	117.0 (9)	C13C—C14C—C15C	120.6 (9)
C38A—C37A—S4A	120.9 (7)	C13C—C14C—H14C	119.7
C42A—C37A—S4A	122.0 (7)	C15C—C14C—H14C	119.7
F38A—C38A—C37A	120.3 (9)	C16C—C15C—C14C	120.4 (9)
F38A—C38A—C39A	118.2 (9)	C16C—C15C—H15C	119.8
C37A—C38A—C39A	121.5 (9)	C14C—C15C—H15C	119.8
F39A—C39A—C40A	121.2 (10)	C15C—C16C—C17C	119.5 (9)
F39A—C39A—C38A	119.6 (10)	C15C—C16C—H16C	120.3
C40A—C39A—C38A	119.2 (9)	C17C—C16C—H16C	120.3
C41A—C40A—C39A	121.5 (10)	C16C—C17C—C18C	121.2 (9)
C41A—C40A—F40A	119.0 (10)	C16C—C17C—H17C	119.4
C39A—C40A—F40A	119.5 (11)	C18C—C17C—H17C	119.4
F41A—C41A—C40A	121.1 (10)	C17C—C18C—C13C	120.0 (8)
F41A—C41A—C42A	119.6 (10)	C17C—C18C—H18C	120.0
C40A—C41A—C42A	119.2 (9)	C13C—C18C—H18C	120.0
F42A—C42A—C37A	120.5 (9)	C19C—S1C—Os1C	119.6 (3)
F42A—C42A—C41A	118.0 (9)	C24C—C19C—C20C	115.2 (7)
C37A—C42A—C41A	121.5 (9)	C24C—C19C—S1C	128.6 (6)
S2B—Os1B—S4B	125.71 (11)	C20C—C19C—S1C	116.2 (6)
S2B—Os1B—S3B	115.92 (12)	F20C—C20C—C21C	117.4 (8)
S4B—Os1B—S3B	116.49 (12)	F20C—C20C—C19C	120.2 (7)
S2B—Os1B—P1B	84.49 (9)	C21C—C20C—C19C	122.4 (8)
S4B—Os1B—P1B	85.13 (9)	F21C—C21C—C22C	119.1 (8)
S3B—Os1B—P1B	86.88 (9)	F21C—C21C—C20C	120.9 (9)
S2B—Os1B—S1B	96.56 (9)	C22C—C21C—C20C	119.9 (8)
S4B—Os1B—S1B	96.61 (9)	F22C—C22C—C23C	118.9 (8)
S3B—Os1B—S1B	89.99 (9)	F22C—C22C—C21C	121.2 (8)
P1B—Os1B—S1B	176.85 (9)	C23C—C22C—C21C	119.9 (8)
C7B—P1B—C1B	103.8 (4)	F23C—C23C—C22C	121.1 (8)
C7B—P1B—C13B	103.6 (4)	F23C—C23C—C24C	119.2 (8)
C1B—P1B—C13B	104.6 (4)	C22C—C23C—C24C	119.6 (8)
C7B—P1B—Os1B	116.4 (3)	F24C—C24C—C23C	117.6 (7)
C1B—P1B—Os1B	113.6 (3)	F24C—C24C—C19C	119.4 (7)
C13B—P1B—Os1B	113.6 (3)	C23C—C24C—C19C	123.0 (7)
C6B—C1B—C2B	117.3 (8)	C25C—S2C—Os1C	114.8 (3)
C6B—C1B—P1B	123.0 (6)	C30C—C25C—C26C	116.1 (7)
C2B—C1B—P1B	119.7 (6)	C30C—C25C—S2C	121.7 (6)
C3B—C2B—C1B	122.2 (8)	C26C—C25C—S2C	121.6 (6)
C3B—C2B—H2BA	118.9	F26C—C26C—C27C	117.4 (7)
C1B—C2B—H2BA	118.9	F26C—C26C—C25C	120.8 (7)
C4B—C3B—C2B	119.3 (9)	C27C—C26C—C25C	121.8 (7)
C4B—C3B—H3BA	120.4	F27C—C27C—C28C	119.3 (8)
C2B—C3B—H3BA	120.4	F27C—C27C—C26C	120.9 (8)
C5B—C4B—C3B	120.1 (9)	C28C—C27C—C26C	119.7 (7)
C5B—C4B—H4BA	119.9	F28C—C28C—C27C	120.4 (8)
C3B—C4B—H4BA	119.9	F28C—C28C—C29C	119.0 (8)
C4B—C5B—C6B	120.6 (9)	C27C—C28C—C29C	120.6 (8)
C4B—C5B—H5BA	119.7	F29C—C29C—C28C	120.9 (8)
C6B—C5B—H5BA	119.7	F29C—C29C—C30C	120.2 (8)
C1B—C6B—C5B	120.4 (8)	C28C—C29C—C30C	118.9 (7)
C1B—C6B—H6BA	119.8	F30C—C30C—C29C	118.3 (7)
C5B—C6B—H6BA	119.8	F30C—C30C—C25C	119.0 (7)
C12B—C7B—C8B	117.1 (8)	C29C—C30C—C25C	122.6 (7)
C12B—C7B—P1B	122.8 (7)	C31C—S3C—Os1C	113.2 (4)
C8B—C7B—P1B	120.1 (6)	C36C—C31C—C32C	116.9 (7)
C9B—C8B—C7B	121.7 (8)	C36C—C31C—S3C	122.2 (6)
C9B—C8B—H8BA	119.1	C32C—C31C—S3C	120.9 (6)
C7B—C8B—H8BA	119.1	F32C—C32C—C33C	118.6 (8)
C10B—C9B—C8B	120.1 (9)	F32C—C32C—C31C	120.0 (8)
C10B—C9B—H9BA	119.9	C33C—C32C—C31C	121.4 (8)
C8B—C9B—H9BA	119.9	F33C—C33C—C34C	119.6 (9)
C9B—C10B—C11B	118.7 (9)	F33C—C33C—C32C	120.5 (9)
C9B—C10B—H10B	120.7	C34C—C33C—C32C	119.6 (8)
C11B—C10B—H10B	120.7	F34C—C34C—C35C	118.8 (9)
C12B—C11B—C10B	122.0 (9)	F34C—C34C—C33C	120.4 (9)
C12B—C11B—H11B	119.0	C35C—C34C—C33C	120.4 (8)
C10B—C11B—H11B	119.0	F35C—C35C—C34C	121.5 (8)
C11B—C12B—C7B	120.4 (9)	F35C—C35C—C36C	119.3 (9)
C11B—C12B—H12B	119.8	C34C—C35C—C36C	119.2 (8)
C7B—C12B—H12B	119.8	F36C—C36C—C35C	118.0 (8)
C14B—C13B—C18B	117.7 (8)	F36C—C36C—C31C	119.7 (7)
C14B—C13B—P1B	123.1 (7)	C35C—C36C—C31C	122.2 (8)
C18B—C13B—P1B	119.2 (7)	C37C—S4C—Os1C	117.4 (3)
C13B—C14B—C15B	120.9 (9)	C42C—C37C—C38C	116.9 (7)
C13B—C14B—H14B	119.6	C42C—C37C—S4C	126.1 (6)
C15B—C14B—H14B	119.6	C38C—C37C—S4C	116.2 (6)
C16B—C15B—C14B	120.0 (9)	F38C—C38C—C39C	117.7 (7)
C16B—C15B—H15B	120.0	F38C—C38C—C37C	120.3 (7)
C14B—C15B—H15B	120.0	C39C—C38C—C37C	122.0 (7)
C15B—C16B—C17B	120.1 (9)	F39C—C39C—C40C	120.0 (8)
C15B—C16B—H16B	120.0	F39C—C39C—C38C	121.0 (8)
C17B—C16B—H16B	120.0	C40C—C39C—C38C	119.1 (7)
C16B—C17B—C18B	120.2 (9)	F40C—C40C—C41C	119.0 (7)
C16B—C17B—H17B	119.9	F40C—C40C—C39C	120.0 (7)
C18B—C17B—H17B	119.9	C41C—C40C—C39C	121.0 (8)
C17B—C18B—C13B	121.1 (9)	F41C—C41C—C40C	120.2 (7)
C17B—C18B—H18B	119.5	F41C—C41C—C42C	120.2 (8)
C13B—C18B—H18B	119.5	C40C—C41C—C42C	119.6 (7)
C19B—S1B—Os1B	117.0 (3)	F42C—C42C—C41C	118.7 (7)
C24B—C19B—C20B	114.6 (7)	F42C—C42C—C37C	119.9 (7)
C24B—C19B—S1B	128.4 (6)	C41C—C42C—C37C	121.4 (7)
S4A—Os1A—P1A—C1A	−159.7 (3)	Os1B—S2B—C25B—C30B	115.8 (8)
S2A—Os1A—P1A—C1A	−35.4 (3)	C30B—C25B—C26B—F26B	175.3 (9)
S3A—Os1A—P1A—C1A	83.4 (3)	S2B—C25B—C26B—F26B	2.6 (14)
S4A—Os1A—P1A—C13A	−39.1 (3)	C30B—C25B—C26B—C27B	−4.0 (15)
S2A—Os1A—P1A—C13A	85.2 (3)	S2B—C25B—C26B—C27B	−176.7 (8)
S3A—Os1A—P1A—C13A	−155.9 (3)	F26B—C26B—C27B—F27B	2.7 (16)
S4A—Os1A—P1A—C7A	81.7 (3)	C25B—C26B—C27B—F27B	−177.9 (10)
S2A—Os1A—P1A—C7A	−154.0 (3)	F26B—C26B—C27B—C28B	−177.5 (11)
S3A—Os1A—P1A—C7A	−35.1 (3)	C25B—C26B—C27B—C28B	1.8 (18)
C13A—P1A—C1A—C2A	−174.0 (6)	F27B—C27B—C28B—F28B	−0.2 (19)
C7A—P1A—C1A—C2A	76.7 (7)	C26B—C27B—C28B—F28B	−180.0 (11)
Os1A—P1A—C1A—C2A	−47.6 (7)	F27B—C27B—C28B—C29B	−179.5 (11)
C13A—P1A—C1A—C6A	6.9 (9)	C26B—C27B—C28B—C29B	0.8 (19)
C7A—P1A—C1A—C6A	−102.3 (8)	F28B—C28B—C29B—F29B	−0.9 (18)
Os1A—P1A—C1A—C6A	133.4 (7)	C27B—C28B—C29B—F29B	178.4 (11)
C6A—C1A—C2A—C3A	1.6 (11)	F28B—C28B—C29B—C30B	179.8 (10)
P1A—C1A—C2A—C3A	−177.5 (7)	C27B—C28B—C29B—C30B	−0.9 (18)
C1A—C2A—C3A—C4A	−1.0 (13)	F29B—C29B—C30B—F30B	0.3 (16)
C2A—C3A—C4A—C5A	0.0 (17)	C28B—C29B—C30B—F30B	179.6 (10)
C3A—C4A—C5A—C6A	0.3 (19)	F29B—C29B—C30B—C25B	179.1 (10)
C4A—C5A—C6A—C1A	0.3 (18)	C28B—C29B—C30B—C25B	−1.6 (17)
C2A—C1A—C6A—C5A	−1.2 (14)	C26B—C25B—C30B—F30B	−177.3 (9)
P1A—C1A—C6A—C5A	177.9 (9)	S2B—C25B—C30B—F30B	−4.4 (13)
C1A—P1A—C7A—C8A	−176.6 (8)	C26B—C25B—C30B—C29B	4.0 (15)
C13A—P1A—C7A—C8A	74.0 (9)	S2B—C25B—C30B—C29B	176.8 (8)
Os1A—P1A—C7A—C8A	−52.5 (9)	S2B—Os1B—S3B—C31B	−97.2 (3)
C1A—P1A—C7A—C12A	6.8 (9)	S4B—Os1B—S3B—C31B	97.5 (3)
C13A—P1A—C7A—C12A	−102.6 (9)	P1B—Os1B—S3B—C31B	−179.6 (3)
Os1A—P1A—C7A—C12A	130.8 (8)	S1B—Os1B—S3B—C31B	0.1 (3)
C12A—C7A—C8A—C9A	0.2 (16)	Os1B—S3B—C31B—C36B	93.8 (9)
P1A—C7A—C8A—C9A	−176.6 (9)	Os1B—S3B—C31B—C32B	−86.2 (9)
C7A—C8A—C9A—C10A	−1.2 (19)	C36B—C31B—C32B—F32B	175.4 (11)
C8A—C9A—C10A—C11A	1 (2)	S3B—C31B—C32B—F32B	−4.6 (16)
C9A—C10A—C11A—C12A	0 (2)	C36B—C31B—C32B—C33B	−4.0 (18)
C10A—C11A—C12A—C7A	−1 (2)	S3B—C31B—C32B—C33B	176.0 (10)
C8A—C7A—C12A—C11A	1.0 (16)	F32B—C32B—C33B—F33B	1 (2)
P1A—C7A—C12A—C11A	177.7 (9)	C31B—C32B—C33B—F33B	−179.8 (12)
C1A—P1A—C13A—C14A	−89.2 (9)	F32B—C32B—C33B—C34B	−175.2 (13)
C7A—P1A—C13A—C14A	19.5 (10)	C31B—C32B—C33B—C34B	4 (2)
Os1A—P1A—C13A—C14A	145.4 (8)	F33B—C33B—C34B—F34B	3 (2)
C1A—P1A—C13A—C18A	87.4 (9)	C32B—C33B—C34B—F34B	178.6 (12)
C7A—P1A—C13A—C18A	−163.9 (8)	F33B—C33B—C34B—C35B	−177.4 (13)
Os1A—P1A—C13A—C18A	−38.0 (9)	C32B—C33B—C34B—C35B	−1 (2)
C18A—C13A—C14A—C15A	0.2 (17)	F34B—C34B—C35B—F35B	0 (2)
P1A—C13A—C14A—C15A	176.9 (9)	C33B—C34B—C35B—F35B	−179.7 (13)
C13A—C14A—C15A—C16A	1.6 (19)	F34B—C34B—C35B—C36B	178.4 (12)
C14A—C15A—C16A—C17A	−3 (2)	C33B—C34B—C35B—C36B	−2 (2)
C15A—C16A—C17A—C18A	3 (2)	F35B—C35B—C36B—F36B	−4.1 (17)
C16A—C17A—C18A—C13A	−0.9 (18)	C34B—C35B—C36B—F36B	177.8 (11)
C14A—C13A—C18A—C17A	−0.5 (16)	F35B—C35B—C36B—C31B	179.9 (11)
P1A—C13A—C18A—C17A	−177.2 (9)	C34B—C35B—C36B—C31B	1.9 (19)
S2A—Os1A—S1A—C19A	−73.1 (3)	C32B—C31B—C36B—F36B	−175.0 (10)
S3A—Os1A—S1A—C19A	168.7 (3)	S3B—C31B—C36B—F36B	5.0 (14)
S4A—Os1A—S1A—C19A	52.2 (3)	C32B—C31B—C36B—C35B	1.0 (17)
Os1A—S1A—C19A—C24A	21.8 (10)	S3B—C31B—C36B—C35B	−179.1 (9)
Os1A—S1A—C19A—C20A	−161.3 (4)	S2B—Os1B—S4B—C37B	94.7 (3)
C24A—C19A—C20A—F20A	−176.5 (9)	S3B—Os1B—S4B—C37B	−101.6 (3)
S1A—C19A—C20A—F20A	6.2 (9)	P1B—Os1B—S4B—C37B	174.3 (3)
C24A—C19A—C20A—C21A	0.6 (9)	S1B—Os1B—S4B—C37B	−8.3 (3)
S1A—C19A—C20A—C21A	−176.6 (6)	Os1B—S4B—C37B—C42B	74.6 (10)
F20A—C20A—C21A—F21A	−2.0 (11)	Os1B—S4B—C37B—C38B	−116.3 (8)
C19A—C20A—C21A—F21A	−179.2 (9)	C42B—C37B—C38B—F38B	179.4 (10)
F20A—C20A—C21A—C22A	177.5 (11)	S4B—C37B—C38B—F38B	9.5 (14)
C19A—C20A—C21A—C22A	0.3 (11)	C42B—C37B—C38B—C39B	−2.8 (17)
F21A—C21A—C22A—F22A	−0.7 (19)	S4B—C37B—C38B—C39B	−172.8 (10)
C20A—C21A—C22A—F22A	179.8 (10)	F38B—C38B—C39B—F39B	−1 (2)
F21A—C21A—C22A—C23A	179.4 (11)	C37B—C38B—C39B—F39B	−178.8 (12)
C20A—C21A—C22A—C23A	−0.1 (18)	F38B—C38B—C39B—C40B	−179.2 (12)
F22A—C22A—C23A—F23A	3 (2)	C37B—C38B—C39B—C40B	3 (2)
C21A—C22A—C23A—F23A	−177.0 (12)	F39B—C39B—C40B—F40B	2 (2)
F22A—C22A—C23A—C24A	179.1 (12)	C38B—C39B—C40B—F40B	−179.5 (12)
C21A—C22A—C23A—C24A	−1 (2)	F39B—C39B—C40B—C41B	178.7 (13)
C20A—C19A—C24A—F24A	175.8 (8)	C38B—C39B—C40B—C41B	−3 (2)
S1A—C19A—C24A—F24A	−7.2 (15)	F40B—C40B—C41B—F41B	−2 (2)
C20A—C19A—C24A—C23A	−1.8 (15)	C39B—C40B—C41B—F41B	−178.8 (13)
S1A—C19A—C24A—C23A	175.2 (9)	F40B—C40B—C41B—C42B	179.5 (12)
F23A—C23A—C24A—F24A	0.4 (18)	C39B—C40B—C41B—C42B	3 (2)
C22A—C23A—C24A—F24A	−175.7 (12)	F41B—C41B—C42B—F42B	−2.6 (18)
F23A—C23A—C24A—C19A	178.1 (11)	C40B—C41B—C42B—F42B	175.7 (11)
C22A—C23A—C24A—C19A	2 (2)	F41B—C41B—C42B—C37B	178.7 (11)
S4A—Os1A—S2A—C25A	−107.3 (3)	C40B—C41B—C42B—C37B	−3.0 (19)
S3A—Os1A—S2A—C25A	88.9 (3)	C38B—C37B—C42B—F42B	−175.8 (10)
P1A—Os1A—S2A—C25A	170.0 (3)	S4B—C37B—C42B—F42B	−6.7 (15)
S1A—Os1A—S2A—C25A	−4.1 (3)	C38B—C37B—C42B—C41B	2.9 (17)
Os1A—S2A—C25A—C26A	−74.9 (10)	S4B—C37B—C42B—C41B	172.0 (9)
Os1A—S2A—C25A—C30A	115.8 (9)	S4C—Os1C—P1C—C7C	83.4 (3)
C30A—C25A—C26A—F26A	175.1 (10)	S2C—Os1C—P1C—C7C	−151.8 (3)
S2A—C25A—C26A—F26A	5.1 (15)	S3C—Os1C—P1C—C7C	−34.0 (3)
C30A—C25A—C26A—C27A	−1.7 (17)	S4C—Os1C—P1C—C13C	−36.8 (3)
S2A—C25A—C26A—C27A	−171.6 (9)	S2C—Os1C—P1C—C13C	88.0 (3)
F26A—C26A—C27A—F27A	2.1 (17)	S3C—Os1C—P1C—C13C	−154.2 (3)
C25A—C26A—C27A—F27A	179.0 (10)	S4C—Os1C—P1C—C1C	−156.1 (3)
F26A—C26A—C27A—C28A	−177.4 (10)	S2C—Os1C—P1C—C1C	−31.4 (3)
C25A—C26A—C27A—C28A	−0.6 (18)	S3C—Os1C—P1C—C1C	86.5 (3)
F27A—C27A—C28A—F28A	0.7 (17)	C7C—P1C—C1C—C6C	−96.8 (9)
C26A—C27A—C28A—F28A	−179.7 (10)	C13C—P1C—C1C—C6C	12.3 (9)
F27A—C27A—C28A—C29A	−177.7 (11)	Os1C—P1C—C1C—C6C	136.7 (8)
C26A—C27A—C28A—C29A	1.9 (18)	C7C—P1C—C1C—C2C	82.6 (7)
F28A—C28A—C29A—F29A	−1.0 (18)	C13C—P1C—C1C—C2C	−168.3 (7)
C27A—C28A—C29A—F29A	177.4 (11)	Os1C—P1C—C1C—C2C	−43.9 (8)
F28A—C28A—C29A—C30A	−179.2 (10)	C6C—C1C—C2C—C3C	−0.1 (12)
C27A—C28A—C29A—C30A	−0.8 (18)	P1C—C1C—C2C—C3C	−179.6 (7)
F29A—C29A—C30A—F30A	−1.7 (17)	C1C—C2C—C3C—C4C	−0.6 (13)
C28A—C29A—C30A—F30A	176.5 (10)	C2C—C3C—C4C—C5C	0.6 (17)
F29A—C29A—C30A—C25A	−179.9 (11)	C3C—C4C—C5C—C6C	0 (2)
C28A—C29A—C30A—C25A	−1.7 (18)	C4C—C5C—C6C—C1C	−0.8 (19)
C26A—C25A—C30A—F30A	−175.2 (10)	C2C—C1C—C6C—C5C	0.8 (16)
S2A—C25A—C30A—F30A	−5.6 (15)	P1C—C1C—C6C—C5C	−179.7 (9)
C26A—C25A—C30A—C29A	2.8 (17)	C13C—P1C—C7C—C12C	−101.5 (9)
S2A—C25A—C30A—C29A	172.5 (9)	C1C—P1C—C7C—C12C	7.0 (9)
S4A—Os1A—S3A—C31A	86.0 (3)	Os1C—P1C—C7C—C12C	133.8 (8)
S2A—Os1A—S3A—C31A	−109.0 (3)	C13C—P1C—C7C—C8C	77.8 (9)
P1A—Os1A—S3A—C31A	169.6 (3)	C1C—P1C—C7C—C8C	−173.8 (8)
S1A—Os1A—S3A—C31A	−11.8 (3)	Os1C—P1C—C7C—C8C	−47.0 (9)
Os1A—S3A—C31A—C32A	−101.0 (9)	C12C—C7C—C8C—C9C	0.6 (15)
Os1A—S3A—C31A—C36A	85.4 (10)	P1C—C7C—C8C—C9C	−178.7 (8)
C36A—C31A—C32A—F32A	177.2 (11)	C7C—C8C—C9C—C10C	−0.9 (17)
S3A—C31A—C32A—F32A	3.2 (15)	C8C—C9C—C10C—C11C	0.9 (17)
C36A—C31A—C32A—C33A	0.8 (17)	C9C—C10C—C11C—C12C	−0.7 (19)
S3A—C31A—C32A—C33A	−173.2 (9)	C10C—C11C—C12C—C7C	0.4 (19)
F32A—C32A—C33A—F33A	1.4 (18)	C8C—C7C—C12C—C11C	−0.4 (16)
C31A—C32A—C33A—F33A	177.9 (11)	P1C—C7C—C12C—C11C	178.9 (9)
F32A—C32A—C33A—C34A	−178.4 (11)	C7C—P1C—C13C—C14C	11.5 (9)
C31A—C32A—C33A—C34A	−1.9 (19)	C1C—P1C—C13C—C14C	−96.7 (9)
F33A—C33A—C34A—F34A	1.7 (18)	Os1C—P1C—C13C—C14C	137.4 (8)
C32A—C33A—C34A—F34A	−178.4 (11)	C7C—P1C—C13C—C18C	−173.8 (8)
F33A—C33A—C34A—C35A	−178.3 (11)	C1C—P1C—C13C—C18C	78.0 (8)
C32A—C33A—C34A—C35A	1.5 (19)	Os1C—P1C—C13C—C18C	−47.9 (9)
F34A—C34A—C35A—F35A	1.8 (18)	C18C—C13C—C14C—C15C	0.3 (16)
C33A—C34A—C35A—F35A	−178.1 (11)	P1C—C13C—C14C—C15C	175.0 (9)
F34A—C34A—C35A—C36A	179.9 (11)	C13C—C14C—C15C—C16C	0 (2)
C33A—C34A—C35A—C36A	0.0 (19)	C14C—C15C—C16C—C17C	0 (2)
C32A—C31A—C36A—F36A	−178.8 (11)	C15C—C16C—C17C—C18C	0 (2)
S3A—C31A—C36A—F36A	−5.2 (17)	C16C—C17C—C18C—C13C	−0.1 (18)
C32A—C31A—C36A—C35A	0.7 (18)	C14C—C13C—C18C—C17C	−0.1 (15)
S3A—C31A—C36A—C35A	174.4 (9)	P1C—C13C—C18C—C17C	−175.0 (8)
F35A—C35A—C36A—F36A	−3.4 (18)	S2C—Os1C—S1C—C19C	−47.1 (4)
C34A—C35A—C36A—F36A	178.5 (11)	S3C—Os1C—S1C—C19C	−164.5 (4)
F35A—C35A—C36A—C31A	177.0 (11)	S4C—Os1C—S1C—C19C	78.7 (4)
C34A—C35A—C36A—C31A	−1.1 (19)	Os1C—S1C—C19C—C24C	−24.1 (10)
S2A—Os1A—S4A—C37A	99.9 (4)	Os1C—S1C—C19C—C20C	157.7 (4)
S3A—Os1A—S4A—C37A	−96.0 (4)	C24C—C19C—C20C—F20C	177.6 (9)
P1A—Os1A—S4A—C37A	−178.2 (4)	S1C—C19C—C20C—F20C	−4.0 (9)
S1A—Os1A—S4A—C37A	−3.0 (4)	C24C—C19C—C20C—C21C	−1.0 (9)
Os1A—S4A—C37A—C38A	−112.3 (9)	S1C—C19C—C20C—C21C	177.4 (7)
Os1A—S4A—C37A—C42A	71.4 (10)	F20C—C20C—C21C—F21C	0.1 (11)
C42A—C37A—C38A—F38A	179.5 (11)	C19C—C20C—C21C—F21C	178.8 (10)
S4A—C37A—C38A—F38A	3.1 (16)	F20C—C20C—C21C—C22C	−179.1 (11)
C42A—C37A—C38A—C39A	−2.7 (18)	C19C—C20C—C21C—C22C	−0.5 (11)
S4A—C37A—C38A—C39A	−179.2 (10)	F21C—C21C—C22C—F22C	1.6 (19)
F38A—C38A—C39A—F39A	0 (2)	C20C—C21C—C22C—F22C	−179.1 (10)
C37A—C38A—C39A—F39A	−177.8 (12)	F21C—C21C—C22C—C23C	−178.9 (12)
F38A—C38A—C39A—C40A	177.9 (16)	C20C—C21C—C22C—C23C	0.4 (18)
C37A—C38A—C39A—C40A	0 (2)	F22C—C22C—C23C—F23C	−1 (2)
F39A—C39A—C40A—C41A	−179.7 (15)	C21C—C22C—C23C—F23C	179.4 (11)
C38A—C39A—C40A—C41A	2 (3)	F22C—C22C—C23C—C24C	−179.3 (12)
F39A—C39A—C40A—F40A	−2 (3)	C21C—C22C—C23C—C24C	1 (2)
C38A—C39A—C40A—F40A	179.9 (13)	F23C—C23C—C24C—F24C	−1.6 (17)
C39A—C40A—C41A—F41A	−179.3 (15)	C22C—C23C—C24C—F24C	176.5 (11)
F40A—C40A—C41A—F41A	3 (3)	F23C—C23C—C24C—C19C	178.9 (10)
C39A—C40A—C41A—C42A	−2 (3)	C22C—C23C—C24C—C19C	−2.9 (19)
F40A—C40A—C41A—C42A	−179.8 (13)	C20C—C19C—C24C—F24C	−176.7 (8)
C38A—C37A—C42A—F42A	−177.9 (11)	S1C—C19C—C24C—F24C	5.1 (14)
S4A—C37A—C42A—F42A	−1.5 (17)	C20C—C19C—C24C—C23C	2.7 (14)
C38A—C37A—C42A—C41A	2.9 (18)	S1C—C19C—C24C—C23C	−175.5 (9)
S4A—C37A—C42A—C41A	179.3 (10)	S4C—Os1C—S2C—C25C	−102.6 (3)
F41A—C41A—C42A—F42A	−3 (2)	S3C—Os1C—S2C—C25C	94.3 (3)
C40A—C41A—C42A—F42A	−179.7 (16)	S1C—Os1C—S2C—C25C	1.0 (3)
F41A—C41A—C42A—C37A	176.6 (12)	P1C—Os1C—S2C—C25C	177.0 (3)
C40A—C41A—C42A—C37A	0 (2)	Os1C—S2C—C25C—C30C	118.8 (8)
S2B—Os1B—P1B—C7B	−148.6 (4)	Os1C—S2C—C25C—C26C	−69.7 (9)
S4B—Os1B—P1B—C7B	84.8 (4)	C30C—C25C—C26C—F26C	175.4 (9)
S3B—Os1B—P1B—C7B	−32.1 (4)	S2C—C25C—C26C—F26C	3.5 (14)
S2B—Os1B—P1B—C1B	−28.0 (3)	C30C—C25C—C26C—C27C	−6.8 (15)
S4B—Os1B—P1B—C1B	−154.7 (3)	S2C—C25C—C26C—C27C	−178.7 (8)
S3B—Os1B—P1B—C1B	88.4 (3)	F26C—C26C—C27C—F27C	−0.3 (16)
S2B—Os1B—P1B—C13B	91.3 (4)	C25C—C26C—C27C—F27C	−178.2 (10)
S4B—Os1B—P1B—C13B	−35.3 (4)	F26C—C26C—C27C—C28C	−177.7 (10)
S3B—Os1B—P1B—C13B	−152.3 (4)	C25C—C26C—C27C—C28C	4.4 (17)
C7B—P1B—C1B—C6B	−107.7 (9)	F27C—C27C—C28C—F28C	1.5 (17)
C13B—P1B—C1B—C6B	0.6 (9)	C26C—C27C—C28C—F28C	178.9 (10)
Os1B—P1B—C1B—C6B	124.9 (8)	F27C—C27C—C28C—C29C	−178.9 (10)
C7B—P1B—C1B—C2B	71.8 (7)	C26C—C27C—C28C—C29C	−1.5 (18)
C13B—P1B—C1B—C2B	−179.9 (7)	F28C—C28C—C29C—F29C	−1.7 (17)
Os1B—P1B—C1B—C2B	−55.6 (7)	C27C—C28C—C29C—F29C	178.6 (10)
C6B—C1B—C2B—C3B	0.2 (12)	F28C—C28C—C29C—C30C	−179.1 (10)
P1B—C1B—C2B—C3B	−179.3 (8)	C27C—C28C—C29C—C30C	1.2 (17)
C1B—C2B—C3B—C4B	0.2 (13)	F29C—C29C—C30C—F30C	2.9 (15)
C2B—C3B—C4B—C5B	−1.6 (18)	C28C—C29C—C30C—F30C	−179.7 (10)
C3B—C4B—C5B—C6B	3 (2)	F29C—C29C—C30C—C25C	178.6 (9)
C2B—C1B—C6B—C5B	0.7 (15)	C28C—C29C—C30C—C25C	−4.0 (16)
P1B—C1B—C6B—C5B	−179.8 (9)	C26C—C25C—C30C—F30C	−177.8 (9)
C4B—C5B—C6B—C1B	−2.1 (19)	S2C—C25C—C30C—F30C	−5.9 (13)
C1B—P1B—C7B—C12B	12.0 (10)	C26C—C25C—C30C—C29C	6.6 (15)
C13B—P1B—C7B—C12B	−97.0 (10)	S2C—C25C—C30C—C29C	178.5 (8)
Os1B—P1B—C7B—C12B	137.6 (8)	S4C—Os1C—S3C—C31C	89.1 (3)
C1B—P1B—C7B—C8B	−169.5 (8)	S2C—Os1C—S3C—C31C	−106.6 (3)
C13B—P1B—C7B—C8B	81.5 (9)	S1C—Os1C—S3C—C31C	−8.1 (3)
Os1B—P1B—C7B—C8B	−43.9 (9)	P1C—Os1C—S3C—C31C	170.6 (3)
C12B—C7B—C8B—C9B	−0.6 (16)	Os1C—S3C—C31C—C36C	97.1 (9)
P1B—C7B—C8B—C9B	−179.1 (9)	Os1C—S3C—C31C—C32C	−86.0 (9)
C7B—C8B—C9B—C10B	0.2 (18)	C36C—C31C—C32C—F32C	176.4 (10)
C8B—C9B—C10B—C11B	0.7 (18)	S3C—C31C—C32C—F32C	−0.7 (15)
C9B—C10B—C11B—C12B	−1.1 (19)	C36C—C31C—C32C—C33C	−1.0 (17)
C10B—C11B—C12B—C7B	0.7 (19)	S3C—C31C—C32C—C33C	−178.2 (9)
C8B—C7B—C12B—C11B	0.1 (17)	F32C—C32C—C33C—F33C	5.4 (18)
P1B—C7B—C12B—C11B	178.7 (9)	C31C—C32C—C33C—F33C	−177.1 (11)
C7B—P1B—C13B—C14B	6.9 (10)	F32C—C32C—C33C—C34C	179.4 (12)
C1B—P1B—C13B—C14B	−101.5 (9)	C31C—C32C—C33C—C34C	−3.1 (19)
Os1B—P1B—C13B—C14B	134.1 (8)	F33C—C33C—C34C—F34C	−6 (2)
C7B—P1B—C13B—C18B	−172.9 (8)	C32C—C33C—C34C—F34C	−179.9 (11)
C1B—P1B—C13B—C18B	78.7 (9)	F33C—C33C—C34C—C35C	−179.6 (12)
Os1B—P1B—C13B—C18B	−45.7 (9)	C32C—C33C—C34C—C35C	6 (2)
C18B—C13B—C14B—C15B	−2.4 (16)	F34C—C34C—C35C—F35C	3 (2)
P1B—C13B—C14B—C15B	177.8 (9)	C33C—C34C—C35C—F35C	176.5 (12)
C13B—C14B—C15B—C16B	0.7 (18)	F34C—C34C—C35C—C36C	−179.1 (11)
C14B—C15B—C16B—C17B	0.2 (19)	C33C—C34C—C35C—C36C	−5 (2)
C15B—C16B—C17B—C18B	0.6 (19)	F35C—C35C—C36C—F36C	−1.9 (18)
C16B—C17B—C18B—C13B	−2.3 (17)	C34C—C35C—C36C—F36C	179.8 (11)
C14B—C13B—C18B—C17B	3.2 (16)	F35C—C35C—C36C—C31C	179.2 (11)
P1B—C13B—C18B—C17B	−177.0 (8)	C34C—C35C—C36C—C31C	1.0 (19)
S2B—Os1B—S1B—C19B	−53.1 (4)	C32C—C31C—C36C—F36C	−176.7 (10)
S3B—Os1B—S1B—C19B	−169.2 (4)	S3C—C31C—C36C—F36C	0.4 (15)
S4B—Os1B—S1B—C19B	74.2 (4)	C32C—C31C—C36C—C35C	2.1 (17)
Os1B—S1B—C19B—C24B	−19.0 (10)	S3C—C31C—C36C—C35C	179.2 (9)
Os1B—S1B—C19B—C20B	161.1 (5)	S2C—Os1C—S4C—C37C	89.6 (3)
C24B—C19B—C20B—F20B	176.0 (9)	S3C—Os1C—S4C—C37C	−107.3 (3)
S1B—C19B—C20B—F20B	−4.0 (9)	S1C—Os1C—S4C—C37C	−14.6 (3)
C24B—C19B—C20B—C21B	−1.9 (9)	P1C—Os1C—S4C—C37C	170.6 (3)
S1B—C19B—C20B—C21B	178.0 (7)	Os1C—S4C—C37C—C42C	76.9 (10)
F20B—C20B—C21B—F21B	1.5 (12)	Os1C—S4C—C37C—C38C	−113.5 (8)
C19B—C20B—C21B—F21B	179.5 (10)	C42C—C37C—C38C—F38C	179.4 (10)
F20B—C20B—C21B—C22B	−179.4 (12)	S4C—C37C—C38C—F38C	8.8 (14)
C19B—C20B—C21B—C22B	−1.4 (12)	C42C—C37C—C38C—C39C	−1.2 (17)
F21B—C21B—C22B—F22B	−1 (2)	S4C—C37C—C38C—C39C	−171.7 (10)
C20B—C21B—C22B—F22B	−179.6 (11)	F38C—C38C—C39C—F39C	0.1 (18)
F21B—C21B—C22B—C23B	−178.4 (12)	C37C—C38C—C39C—F39C	−179.4 (11)
C20B—C21B—C22B—C23B	2.5 (19)	F38C—C38C—C39C—C40C	178.9 (11)
F22B—C22B—C23B—F23B	0 (2)	C37C—C38C—C39C—C40C	−0.6 (19)
C21B—C22B—C23B—F23B	178.1 (12)	F39C—C39C—C40C—F40C	−1.1 (19)
F22B—C22B—C23B—C24B	−178.1 (12)	C38C—C39C—C40C—F40C	−179.9 (11)
C21B—C22B—C23B—C24B	0 (2)	F39C—C39C—C40C—C41C	179.5 (12)
F23B—C23B—C24B—F24B	−2.3 (16)	C38C—C39C—C40C—C41C	1 (2)
C22B—C23B—C24B—F24B	176.0 (11)	F40C—C40C—C41C—F41C	1.5 (17)
F23B—C23B—C24B—C19B	178.2 (10)	C39C—C40C—C41C—F41C	−179.0 (11)
C22B—C23B—C24B—C19B	−3.5 (18)	F40C—C40C—C41C—C42C	−178.4 (10)
C20B—C19B—C24B—F24B	−175.1 (7)	C39C—C40C—C41C—C42C	1.1 (19)
S1B—C19B—C24B—F24B	5.0 (14)	F41C—C41C—C42C—F42C	−2.1 (16)
C20B—C19B—C24B—C23B	4.4 (14)	C40C—C41C—C42C—F42C	177.9 (10)
S1B—C19B—C24B—C23B	−175.5 (8)	F41C—C41C—C42C—C37C	177.2 (10)
S4B—Os1B—S2B—C25B	−99.1 (3)	C40C—C41C—C42C—C37C	−2.9 (18)
S3B—Os1B—S2B—C25B	97.1 (3)	C38C—C37C—C42C—F42C	−177.9 (10)
P1B—Os1B—S2B—C25B	−179.1 (3)	S4C—C37C—C42C—F42C	−8.3 (16)
S1B—Os1B—S2B—C25B	3.9 (3)	C38C—C37C—C42C—C41C	2.9 (16)
Os1B—S2B—C25B—C26B	−71.9 (9)	S4C—C37C—C42C—C41C	172.4 (9)