{2,2'-[(R,R)-Cyclo­hexane-1,2-diyl­bis(nitrilo­methyl­idyne)]­bis[6-tert-butyl-4-(tri­phenyl­phosphonio­methyl)­phenol­ato]-O,N,N',O'}copper(II) dichloride hexakis­(deutero­chloro­form) solvate

The title compound, [Cu(C₆₆H₆₈N₂O₂P₂)]Cl₂·6CDCl₃, consists of complex cations, chloride ions and deutero­chloro­form solvate mol­ecules. The complex cation crystallizes in two different conformations. In both cases, Cu^II ions lie on twofold axes and the geometry around them is slightly distorted square planar. The dihedral angles between the N/Cu/N and O/Cu/O planes are 5.6 (9) and 3.9 (10)° for mol­ecules A and B, respectively.

S1. Comment

We have studied the catalytic oxidation of phenolic compounds relevant in lignin biochemistry using hydrogen peroxide and dioxygen as oxidants (Haikarainen, Sipilä & Pietikäinen, 2000; Haikarainen, Sipilä, Pietikäinen, Pajunen & Mutikainen, 2000). During these studies a few copper complexes of the salen-type ligands have been used as models for the laccase enzyme, which has copper ion in its active centre and uses dioxygen as an oxidant (Paice et al., 1997). We have found that all copper complexes studied were inactive when dioxygen was used. However, the bulky title compound, (I),was able to catalyse the oxidation of coniferyl alcohol (lignin precursor) using hydrogen peroxide to the lignin-like material. This unexpected reaction prompted us to determine the crystal structure of this compound in order to get more information of the active site of the complex. The crystallographically independent part consists of two halves of cations (each occupying twofold symmetry axis), and two anions and six deuterochloroform solvent molecules in general positions.

S2. Experimental

The ligand precursor (200 mg, 0.18 mmol, trihydrate; Haikarainen, Sipilä & Pietikäinen, 2000) was dissolved in absolute ethanol (4 ml) and heated to boiling. Solid copper acetate hydrate (38 mg, 0.19 mmol) was added and the resulting solution was refluxed for 3 h. The solvent was evaporated and the residue dissolved in CH₂Cl₂ (3 ml) and ethyl acetate (3 ml) was added. This solution was allowed to evaporate at room temperature yielding the complex (trihydrate) as a gray–purple solid (180 mg, 1.15 mmol, 85%). Crystals suitable for X-ray structure determination were grown in the NMR tube from a saturated CDCl₃ solution at room temperature.

S3. Refinement

All H (and D) atoms were placed in geometrically calculated positions and their isotropic displacement parameters were set to 1.2 times (1.5 times for CH₃ groups) the equivalent displacement parameter of their parent atoms. The Flack (1983) parameter is consistent with the known absolute stereochemistry of the starting materials.

Computing details

Data collection: MSC/AFC Diffractometer Control Software (Molecular Structure Corporation, 1993a); cell refinement: MSC/AFC Diffractometer Control Software; data reduction: TEXSAN PROCESS (Molecular Structure Corporation, 1993b); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: SHELXTL/PC (Sheldrick,1990); software used to prepare material for publication: SHELXL97.

{2,2'-[(R,R)-Cyclohexane-1,2-diylbis(nitrilomethylidyne)]bis(6-tert-butyl-4- (triphenylphosphoniomethyl)phenolato-O,N,N',O'}copper(II) dichloride hexakis(deuterochloroform) solvate

Crystal data

[Cu(C66H68N2O2P2)]Cl2·6CDCl3	F(000) = 3740
Mr = 1839.85	Dx = 1.421 Mg m^−3
Monoclinic, C2	Mo Kα radiation, λ = 0.71073 Å
a = 19.401 (8) Å	Cell parameters from 25 reflections
b = 22.383 (9) Å	θ = 8.0–11.9°
c = 20.805 (9) Å	µ = 0.96 mm^−1
β = 107.89 (4)°	T = 193 K
V = 8598 (6) Å^3	Prismatic, red
Z = 4	0.40 × 0.30 × 0.25 mm

Data collection

Rigaku AFC-7S diffractometer	5695 reflections with I > 2σ(I)
Radiation source: fine-focus sealed tube	Rint = 0.035
Graphite monochromator	θmax = 25.3°, θmin = 2.5°
2θ/ω scans	h = 0→23
Absorption correction: ψ scan (North et al., 1968)	k = 0→26
Tmin = 0.680, Tmax = 0.787	l = −24→23
8266 measured reflections	3 standard reflections every 200 reflections
8013 independent reflections	intensity decay: 2.0%

Refinement

Refinement on F^2	Secondary atom site location: difference Fourier map
Least-squares matrix: full	Hydrogen site location: inferred from neighbouring sites
R[F^2 > 2σ(F^2)] = 0.067	H-atom parameters not refined
wR(F^2) = 0.188	Calculated w = 1/[σ^2(Fo^2) + (0.1007P)^2 + 13.835P] where P = (Fo^2 + 2Fc^2)/3
S = 1.05	(Δ/σ)max = 0.012
8013 reflections	Δρmax = 0.41 e Å^−3
893 parameters	Δρmin = −0.42 e Å^−3
1 restraint	Absolute structure: Flack (1983), 253 Friedel pairs
Primary atom site location: structure-invariant direct methods	Absolute structure parameter: 0.00 (3)

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.

Refinement. Refinement of F² against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F², conventional R-factors R are based on F, with F set to zero for negative F². The threshold expression of F² > σ(F²) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F² are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger.

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

	x	y	z	Uiso*/Ueq
Cu1A	0.5000	0.53332 (7)	0.0000	0.0322 (4)
Cl1A	0.24991 (14)	0.36202 (14)	0.24973 (15)	0.0522 (8)
P1A	0.41500 (14)	0.50956 (13)	0.34261 (14)	0.0320 (6)
O1A	0.4767 (4)	0.4736 (4)	0.0536 (4)	0.0427 (19)
N1A	0.4837 (5)	0.5974 (3)	0.0558 (4)	0.0344 (19)
C1A	0.4455 (6)	0.4805 (5)	0.1020 (5)	0.036 (3)
C2A	0.4251 (6)	0.4271 (5)	0.1313 (5)	0.034 (3)
C3A	0.3922 (6)	0.4347 (5)	0.1811 (5)	0.037 (3)
H3A	0.3758 (6)	0.4002 (5)	0.1996 (5)	0.045*
C4A	0.3810 (6)	0.4933 (5)	0.2051 (5)	0.034 (3)
C5A	0.3995 (5)	0.5425 (5)	0.1758 (5)	0.034 (2)
H5A	0.3897 (5)	0.5813 (5)	0.1904 (5)	0.041*
C6A	0.4312 (6)	0.5371 (5)	0.1243 (5)	0.033 (2)
C7A	0.4535 (5)	0.5898 (5)	0.1010 (5)	0.034 (2)
H7A	0.4464 (5)	0.6253 (5)	0.1241 (5)	0.040*
C8A	0.5090 (5)	0.6555 (4)	0.0385 (4)	0.0372 (19)
H8A	0.5608 (5)	0.6569 (4)	0.0577 (4)	0.045*
C9A	0.4766 (7)	0.7100 (5)	0.0622 (6)	0.044 (3)
H9A	0.4905 (7)	0.7099 (5)	0.1107 (6)	0.053*
H9B	0.4247 (7)	0.7091 (5)	0.0449 (6)	0.053*
C10A	0.5080 (7)	0.7670 (4)	0.0377 (5)	0.052 (3)
H10A	0.5593 (7)	0.7695 (4)	0.0592 (5)	0.063*
H10B	0.4862 (7)	0.8017 (4)	0.0505 (5)	0.063*
C11A	0.4379 (7)	0.3646 (6)	0.1076 (8)	0.053 (4)
C12A	0.5206 (7)	0.3554 (7)	0.1215 (7)	0.065 (4)
H12A	0.5390 (7)	0.3850 (7)	0.0976 (7)	0.097*
H12B	0.5441 (7)	0.3595 (7)	0.1691 (7)	0.097*
H12C	0.5298 (7)	0.3163 (7)	0.1071 (7)	0.097*
C13A	0.4133 (10)	0.3170 (6)	0.1480 (8)	0.085 (5)
H13A	0.3621 (10)	0.3210 (6)	0.1398 (8)	0.127*
H13B	0.4236 (10)	0.2783 (6)	0.1334 (8)	0.127*
H13C	0.4379 (10)	0.3215 (6)	0.1954 (8)	0.127*
C14A	0.3969 (8)	0.3560 (7)	0.0335 (7)	0.070 (4)
H14A	0.4119 (8)	0.3856 (7)	0.0071 (7)	0.105*
H14B	0.4058 (8)	0.3168 (7)	0.0189 (7)	0.105*
H14C	0.3461 (8)	0.3605 (7)	0.0276 (7)	0.105*
C15A	0.3481 (5)	0.4982 (5)	0.2633 (5)	0.035 (2)
H15A	0.3155 (5)	0.5316 (5)	0.2543 (5)	0.041*
H15B	0.3207 (5)	0.4629 (5)	0.2650 (5)	0.041*
C16A	0.3698 (5)	0.5282 (5)	0.4028 (5)	0.031 (2)
C17A	0.3946 (7)	0.5748 (6)	0.4492 (5)	0.050 (3)
H17A	0.4375 (7)	0.5966 (6)	0.4501 (5)	0.060*
C18A	0.3555 (7)	0.5871 (7)	0.4947 (7)	0.061 (4)
H18A	0.3725 (7)	0.6188 (7)	0.5266 (7)	0.073*
C19A	0.2959 (7)	0.5554 (7)	0.4936 (7)	0.060 (4)
H19A	0.2700 (7)	0.5654 (7)	0.5248 (7)	0.072*
C20A	0.2713 (7)	0.5116 (7)	0.4483 (6)	0.061 (4)
H20A	0.2284 (7)	0.4899 (7)	0.4475 (6)	0.073*
C21A	0.3073 (6)	0.4994 (7)	0.4019 (6)	0.049 (3)
H21A	0.2903 (6)	0.4676 (7)	0.3699 (6)	0.059*
C22A	0.4696 (6)	0.4444 (5)	0.3724 (6)	0.040 (3)
C23A	0.5345 (9)	0.4499 (8)	0.4238 (9)	0.091 (6)
H23A	0.5508 (9)	0.4888 (8)	0.4414 (9)	0.109*
C24A	0.5744 (10)	0.3985 (10)	0.4466 (10)	0.124 (9)
H24A	0.6194 (10)	0.4028 (10)	0.4821 (10)	0.149*
C25A	0.5534 (9)	0.3467 (8)	0.4187 (10)	0.107 (7)
H25A	0.5821 (9)	0.3121 (8)	0.4367 (10)	0.128*
C26A	0.4879 (8)	0.3398 (7)	0.3729 (8)	0.073 (4)
H26A	0.4716 (8)	0.3009 (7)	0.3554 (8)	0.088*
C27A	0.4448 (7)	0.3909 (8)	0.3480 (8)	0.076 (5)
H27A	0.3997 (7)	0.3866 (8)	0.3125 (8)	0.091*
C28A	0.4702 (5)	0.5692 (6)	0.3324 (5)	0.038 (3)
C29A	0.5353 (7)	0.5616 (6)	0.3229 (6)	0.055 (3)
H29A	0.5559 (7)	0.5222 (6)	0.3277 (6)	0.066*
C30A	0.5730 (7)	0.6112 (9)	0.3082 (7)	0.076 (5)
H30A	0.6197 (7)	0.6050 (9)	0.3025 (7)	0.091*
C31A	0.5434 (8)	0.6654 (8)	0.3000 (7)	0.075 (5)
H31A	0.5695 (8)	0.6985 (8)	0.2894 (7)	0.089*
C32A	0.4776 (8)	0.6761 (7)	0.3084 (6)	0.062 (4)
H32A	0.4570 (8)	0.7155 (7)	0.3036 (6)	0.075*
C33A	0.4397 (6)	0.6274 (6)	0.3240 (6)	0.044 (3)
H33A	0.3930 (6)	0.6337 (6)	0.3298 (6)	0.053*
Cu1B	0.0000	0.46254 (7)	0.5000	0.0316 (4)
Cl1B	0.24945 (15)	0.63280 (15)	0.25072 (16)	0.0562 (9)
P1B	0.08525 (14)	0.48639 (13)	0.15787 (13)	0.0312 (6)
O1B	0.0401 (5)	0.5227 (3)	0.4577 (4)	0.045 (2)
N1B	0.0425 (4)	0.3988 (4)	0.4627 (4)	0.038 (2)
C1B	0.0643 (6)	0.5171 (5)	0.4064 (5)	0.032 (2)
C2B	0.0751 (6)	0.5675 (5)	0.3690 (6)	0.038 (3)
C3B	0.1033 (5)	0.5595 (5)	0.3174 (5)	0.029 (2)
H3B	0.1100 (5)	0.5945 (5)	0.2934 (5)	0.035*
C4B	0.1218 (5)	0.5058 (5)	0.2965 (5)	0.032 (2)
C5B	0.1111 (5)	0.4560 (5)	0.3299 (5)	0.031 (2)
H5B	0.1233 (5)	0.4176 (5)	0.3159 (5)	0.037*
C6B	0.0817 (6)	0.4591 (5)	0.3843 (6)	0.038 (3)
C7B	0.0728 (5)	0.4033 (4)	0.4152 (5)	0.034 (2)
H7B	0.0893 (5)	0.3673 (4)	0.3996 (5)	0.041*
C8B	0.0369 (5)	0.3400 (4)	0.4934 (4)	0.0340 (19)
H8B	0.0739 (5)	0.3380 (4)	0.5363 (4)	0.041*
C9B	0.0451 (7)	0.2854 (5)	0.4556 (6)	0.050 (3)
H9C	0.0913 (7)	0.2861 (5)	0.4476 (6)	0.060*
H9D	0.0082 (7)	0.2859 (5)	0.4125 (6)	0.060*
C10B	0.0360 (6)	0.2290 (4)	0.4911 (6)	0.053 (3)
H10C	0.0759 (6)	0.2261 (4)	0.5320 (6)	0.064*
H10D	0.0376 (6)	0.1950 (4)	0.4634 (6)	0.064*
C11B	0.0574 (7)	0.6305 (5)	0.3890 (6)	0.043 (3)
C12B	0.0696 (9)	0.6783 (6)	0.3406 (7)	0.067 (4)
H12D	0.1191 (9)	0.6758 (6)	0.3410 (7)	0.101*
H12E	0.0382 (9)	0.6717 (6)	0.2954 (7)	0.101*
H12F	0.0604 (9)	0.7171 (6)	0.3557 (7)	0.101*
C13B	−0.0229 (8)	0.6335 (7)	0.3885 (8)	0.076 (5)
H13D	−0.0316 (8)	0.6035 (7)	0.4181 (8)	0.114*
H13E	−0.0322 (8)	0.6723 (7)	0.4038 (8)	0.114*
H13F	−0.0544 (8)	0.6269 (7)	0.3435 (8)	0.114*
C14B	0.1059 (9)	0.6453 (7)	0.4594 (7)	0.074 (5)
H14D	0.1559 (9)	0.6435 (7)	0.4612 (7)	0.112*
H14E	0.0947 (9)	0.6850 (7)	0.4708 (7)	0.112*
H14F	0.0972 (9)	0.6173 (7)	0.4910 (7)	0.112*
C15B	0.1525 (5)	0.5004 (5)	0.2402 (4)	0.027 (2)
H15C	0.1773 (5)	0.5370 (5)	0.2376 (4)	0.032*
H15D	0.1877 (5)	0.4688 (5)	0.2500 (4)	0.032*
C16B	0.0288 (6)	0.4259 (5)	0.1705 (5)	0.037 (3)
C17B	0.0603 (7)	0.3699 (6)	0.1838 (5)	0.046 (3)
H17B	0.1058 (7)	0.3623 (6)	0.1762 (5)	0.055*
C18B	0.0233 (7)	0.3265 (6)	0.2065 (6)	0.055 (3)
H18B	0.0449 (7)	0.2876 (6)	0.2154 (6)	0.066*
C19B	−0.0420 (8)	0.3354 (8)	0.2161 (7)	0.072 (4)
H19B	−0.0659 (8)	0.3042 (8)	0.2326 (7)	0.086*
C20B	−0.0725 (7)	0.3923 (9)	0.2051 (7)	0.071 (5)
H20B	−0.1180 (7)	0.4000 (9)	0.2126 (7)	0.085*
C21B	−0.0382 (6)	0.4384 (8)	0.1817 (6)	0.058 (4)
H21B	−0.0598 (6)	0.4773 (8)	0.1728 (6)	0.070*
C22B	0.1314 (6)	0.4624 (5)	0.0983 (5)	0.035 (2)
C23B	0.1038 (6)	0.4171 (6)	0.0527 (5)	0.050 (3)
H23B	0.0610 (6)	0.3957 (6)	0.0528 (5)	0.059*
C24B	0.1396 (7)	0.4019 (6)	0.0057 (6)	0.053 (3)
H24B	0.1215 (7)	0.3703 (6)	−0.0263 (6)	0.063*
C25B	0.2005 (7)	0.4325 (7)	0.0073 (6)	0.054 (3)
H25B	0.2251 (7)	0.4224 (7)	−0.0248 (6)	0.065*
C26B	0.2262 (6)	0.4774 (8)	0.0528 (6)	0.065 (4)
H26B	0.2690 (6)	0.4989 (8)	0.0527 (6)	0.077*
C27B	0.1908 (6)	0.4953 (7)	0.0974 (6)	0.050 (3)
H27B	0.2089 (6)	0.5268 (7)	0.1294 (6)	0.060*
C28B	0.0308 (6)	0.5499 (6)	0.1251 (6)	0.045 (3)
C29B	0.0597 (6)	0.6089 (5)	0.1493 (6)	0.042 (3)
H29B	0.1057 (6)	0.6125 (5)	0.1837 (6)	0.051*
C30B	0.0192 (9)	0.6577 (7)	0.1204 (8)	0.081 (5)
H30B	0.0376 (9)	0.6965 (7)	0.1367 (8)	0.097*
C31B	−0.0484 (9)	0.6522 (8)	0.0720 (7)	0.081 (5)
H31B	−0.0760 (9)	0.6874 (8)	0.0540 (7)	0.097*
C32B	−0.0714 (8)	0.5948 (7)	0.0469 (7)	0.077 (5)
H32B	−0.1173 (8)	0.5912 (7)	0.0125 (7)	0.092*
C33B	−0.0335 (6)	0.5456 (7)	0.0744 (6)	0.060 (4)
H33B	−0.0519 (6)	0.5068 (7)	0.0580 (6)	0.072*
C34A	0.3455 (11)	0.4813 (12)	0.8714 (11)	0.128 (8)
D34A	0.3895	0.4653	0.9015	0.153*
Cl2A	0.3165 (3)	0.5346 (3)	0.9160 (3)	0.137 (2)
Cl3A	0.2846 (3)	0.4206 (3)	0.8513 (3)	0.123 (2)
Cl4A	0.3672 (3)	0.5059 (4)	0.8049 (3)	0.177 (3)
C34B	0.2549 (7)	0.7268 (7)	0.8201 (7)	0.070 (4)
D34B	0.2507	0.7674	0.8049	0.084*
Cl2B	0.1746 (3)	0.6884 (3)	0.7822 (4)	0.154 (3)
Cl3B	0.3280 (3)	0.6937 (3)	0.8023 (2)	0.1032 (16)
Cl4B	0.2695 (3)	0.7253 (4)	0.9067 (2)	0.139 (3)
C34C	0.1665 (9)	0.5102 (9)	0.6171 (8)	0.102 (6)
D34C	0.1322	0.5223	0.5751	0.123*
Cl2C	0.2147 (2)	0.5695 (3)	0.6495 (2)	0.1049 (17)
Cl3C	0.1184 (2)	0.4743 (3)	0.6612 (3)	0.133 (2)
Cl4C	0.2230 (5)	0.4525 (3)	0.5977 (4)	0.166 (3)
C34D	0.2613 (8)	0.2837 (8)	0.3875 (8)	0.071 (4)
D34D	0.2454	0.2982	0.3418	0.086*
Cl2D	0.2524 (3)	0.3405 (3)	0.4422 (3)	0.1038 (15)
Cl3D	0.3500 (3)	0.2614 (4)	0.4074 (3)	0.159 (3)
Cl4D	0.2063 (4)	0.2234 (3)	0.3942 (3)	0.143 (2)
C34E	0.2532 (8)	0.7031 (9)	0.1140 (8)	0.087 (5)
D34E	0.2577	0.6850	0.1569	0.104*
Cl2E	0.2624 (3)	0.6484 (3)	0.0563 (2)	0.1030 (15)
Cl3E	0.1693 (3)	0.7347 (4)	0.0834 (3)	0.160 (3)
Cl4E	0.3236 (4)	0.7521 (4)	0.1232 (4)	0.223 (5)
C34F	0.2503 (8)	0.7694 (8)	0.3233 (7)	0.072 (4)
D34F	0.2476	0.7287	0.3081	0.086*
Cl2F	0.3272 (3)	0.8023 (3)	0.3115 (3)	0.1090 (18)
Cl3F	0.2581 (3)	0.7681 (3)	0.4074 (2)	0.1142 (18)
Cl4F	0.1730 (3)	0.8050 (3)	0.2773 (3)	0.136 (2)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Cu1A	0.0457 (10)	0.0246 (10)	0.0315 (9)	0.000	0.0195 (8)	0.000
Cl1A	0.0527 (18)	0.0303 (17)	0.072 (2)	−0.0009 (13)	0.0172 (16)	0.0084 (15)
P1A	0.0337 (14)	0.0308 (16)	0.0347 (14)	0.0000 (12)	0.0153 (12)	0.0016 (12)
O1A	0.065 (4)	0.033 (4)	0.044 (4)	−0.005 (3)	0.037 (3)	−0.007 (3)
N1A	0.057 (5)	0.017 (4)	0.039 (4)	−0.003 (4)	0.029 (4)	−0.001 (3)
C1A	0.036 (5)	0.039 (7)	0.038 (5)	−0.006 (4)	0.019 (4)	0.013 (5)
C2A	0.039 (6)	0.030 (6)	0.040 (6)	−0.004 (5)	0.021 (5)	−0.010 (5)
C3A	0.040 (6)	0.033 (6)	0.037 (6)	−0.013 (5)	0.011 (5)	0.008 (5)
C4A	0.042 (6)	0.031 (6)	0.026 (5)	0.009 (5)	0.008 (4)	−0.013 (5)
C5A	0.042 (5)	0.029 (6)	0.035 (5)	−0.003 (5)	0.019 (4)	−0.003 (5)
C6A	0.048 (5)	0.027 (5)	0.031 (5)	0.006 (5)	0.021 (4)	−0.003 (4)
C7A	0.040 (5)	0.032 (5)	0.030 (5)	0.009 (4)	0.013 (4)	−0.002 (4)
C8A	0.047 (5)	0.031 (5)	0.040 (5)	−0.002 (4)	0.024 (4)	−0.002 (4)
C9A	0.086 (8)	0.016 (5)	0.042 (6)	−0.009 (5)	0.035 (5)	−0.001 (4)
C10A	0.093 (8)	0.021 (5)	0.051 (6)	−0.007 (5)	0.034 (6)	−0.001 (4)
C11A	0.067 (8)	0.028 (7)	0.084 (10)	−0.007 (6)	0.051 (8)	−0.001 (7)
C12A	0.079 (9)	0.056 (8)	0.073 (8)	0.011 (7)	0.045 (7)	0.017 (7)
C13A	0.159 (15)	0.027 (7)	0.107 (12)	−0.002 (8)	0.097 (11)	−0.009 (7)
C14A	0.095 (10)	0.045 (9)	0.073 (9)	−0.013 (8)	0.030 (8)	−0.024 (7)
C15A	0.044 (6)	0.024 (6)	0.047 (6)	0.001 (5)	0.031 (5)	0.001 (5)
C16A	0.036 (5)	0.035 (6)	0.024 (5)	0.008 (5)	0.013 (4)	0.006 (4)
C17A	0.087 (8)	0.038 (7)	0.044 (6)	−0.026 (6)	0.047 (6)	−0.012 (5)
C18A	0.085 (9)	0.044 (8)	0.061 (8)	−0.011 (7)	0.035 (7)	−0.013 (7)
C19A	0.068 (8)	0.070 (9)	0.063 (8)	−0.009 (7)	0.049 (7)	−0.004 (7)
C20A	0.064 (8)	0.075 (9)	0.049 (7)	−0.029 (7)	0.028 (6)	−0.006 (7)
C21A	0.049 (7)	0.063 (9)	0.040 (6)	−0.024 (7)	0.022 (5)	−0.006 (6)
C22A	0.041 (6)	0.024 (6)	0.044 (6)	0.011 (5)	−0.001 (5)	0.000 (5)
C23A	0.099 (12)	0.044 (10)	0.107 (13)	0.013 (9)	−0.003 (10)	−0.023 (9)
C24A	0.095 (13)	0.094 (15)	0.132 (16)	0.058 (12)	−0.042 (12)	−0.012 (14)
C25A	0.094 (12)	0.048 (9)	0.144 (17)	0.030 (8)	−0.030 (12)	−0.003 (10)
C26A	0.076 (9)	0.045 (8)	0.081 (10)	0.008 (7)	−0.002 (8)	−0.007 (8)
C27A	0.050 (8)	0.095 (13)	0.079 (10)	0.033 (8)	0.013 (7)	0.008 (10)
C28A	0.028 (5)	0.050 (8)	0.038 (6)	0.002 (5)	0.011 (5)	0.000 (5)
C29A	0.060 (8)	0.044 (7)	0.070 (8)	−0.005 (6)	0.031 (7)	0.002 (6)
C30A	0.043 (7)	0.119 (15)	0.081 (9)	0.010 (8)	0.041 (7)	0.032 (9)
C31A	0.071 (9)	0.086 (12)	0.067 (8)	−0.016 (8)	0.021 (7)	0.027 (8)
C32A	0.085 (9)	0.053 (8)	0.050 (7)	−0.007 (7)	0.022 (6)	−0.016 (6)
C33A	0.039 (6)	0.038 (7)	0.055 (7)	−0.012 (5)	0.014 (5)	−0.005 (5)
Cu1B	0.0439 (9)	0.0232 (10)	0.0335 (9)	0.000	0.0205 (8)	0.000
Cl1B	0.0499 (18)	0.039 (2)	0.074 (2)	−0.0019 (14)	0.0119 (17)	−0.0001 (16)
P1B	0.0347 (14)	0.0313 (17)	0.0309 (13)	0.0014 (12)	0.0148 (11)	−0.0028 (12)
O1B	0.078 (5)	0.019 (4)	0.056 (5)	−0.006 (3)	0.048 (4)	−0.002 (3)
N1B	0.046 (5)	0.034 (5)	0.040 (5)	0.001 (4)	0.022 (4)	0.001 (4)
C1B	0.049 (6)	0.018 (5)	0.035 (5)	−0.001 (4)	0.023 (5)	−0.012 (4)
C2B	0.051 (7)	0.027 (6)	0.046 (7)	0.010 (5)	0.030 (5)	0.009 (5)
C3B	0.038 (5)	0.023 (6)	0.037 (5)	0.007 (4)	0.025 (4)	0.001 (4)
C4B	0.028 (5)	0.035 (6)	0.042 (6)	−0.009 (5)	0.021 (4)	0.007 (5)
C5B	0.035 (5)	0.029 (6)	0.031 (5)	−0.001 (4)	0.015 (4)	−0.004 (4)
C6B	0.047 (5)	0.026 (6)	0.045 (6)	−0.015 (5)	0.018 (4)	−0.007 (5)
C7B	0.036 (5)	0.024 (5)	0.046 (5)	0.008 (4)	0.019 (4)	0.007 (4)
C8B	0.046 (5)	0.021 (4)	0.038 (5)	0.002 (4)	0.017 (4)	0.007 (4)
C9B	0.076 (8)	0.037 (6)	0.047 (6)	0.008 (5)	0.035 (6)	0.006 (5)
C10B	0.075 (7)	0.022 (5)	0.066 (7)	0.005 (5)	0.028 (6)	−0.007 (5)
C11B	0.064 (7)	0.028 (6)	0.049 (7)	0.010 (5)	0.033 (6)	−0.002 (5)
C12B	0.118 (10)	0.036 (7)	0.075 (8)	0.010 (7)	0.070 (8)	0.011 (6)
C13B	0.098 (10)	0.053 (8)	0.104 (11)	0.033 (7)	0.070 (9)	0.020 (8)
C14B	0.140 (13)	0.035 (8)	0.066 (8)	−0.010 (8)	0.058 (9)	−0.017 (6)
C15B	0.026 (4)	0.030 (6)	0.020 (4)	0.005 (4)	0.002 (4)	−0.004 (4)
C16B	0.049 (6)	0.038 (7)	0.026 (5)	−0.020 (5)	0.011 (5)	−0.006 (5)
C17B	0.065 (7)	0.043 (8)	0.039 (6)	−0.009 (6)	0.030 (5)	−0.002 (5)
C18B	0.083 (8)	0.040 (7)	0.047 (6)	−0.025 (6)	0.027 (6)	−0.009 (5)
C19B	0.082 (9)	0.065 (10)	0.085 (9)	−0.046 (8)	0.050 (8)	−0.018 (7)
C20B	0.061 (8)	0.100 (12)	0.071 (8)	−0.039 (8)	0.049 (7)	−0.023 (8)
C21B	0.038 (6)	0.084 (10)	0.060 (8)	−0.003 (6)	0.026 (6)	−0.015 (7)
C22B	0.047 (6)	0.023 (5)	0.038 (6)	0.002 (5)	0.016 (4)	0.009 (5)
C23B	0.048 (6)	0.059 (9)	0.038 (6)	0.009 (6)	0.008 (5)	−0.006 (6)
C24B	0.076 (8)	0.044 (7)	0.049 (6)	−0.006 (6)	0.036 (6)	−0.018 (6)
C25B	0.064 (7)	0.069 (9)	0.035 (6)	0.011 (7)	0.025 (5)	−0.009 (6)
C26B	0.042 (6)	0.110 (13)	0.054 (7)	0.008 (7)	0.034 (6)	0.007 (8)
C27B	0.051 (7)	0.068 (9)	0.036 (6)	0.000 (7)	0.020 (5)	−0.011 (6)
C28B	0.056 (7)	0.048 (8)	0.040 (6)	0.003 (6)	0.027 (6)	−0.008 (6)
C29B	0.058 (7)	0.020 (5)	0.045 (6)	−0.004 (5)	0.009 (5)	−0.002 (5)
C30B	0.106 (12)	0.050 (9)	0.078 (10)	0.034 (9)	0.015 (9)	0.013 (8)
C31B	0.104 (12)	0.056 (10)	0.055 (8)	0.030 (9)	−0.016 (8)	−0.003 (7)
C32B	0.076 (9)	0.064 (10)	0.060 (8)	0.024 (8)	−0.024 (7)	−0.009 (7)
C33B	0.052 (7)	0.069 (10)	0.041 (6)	0.016 (7)	−0.014 (5)	−0.010 (7)
C34A	0.098 (12)	0.15 (2)	0.146 (17)	−0.016 (14)	0.056 (12)	0.018 (16)
Cl2A	0.125 (4)	0.116 (4)	0.172 (5)	0.008 (4)	0.048 (4)	−0.015 (4)
Cl3A	0.097 (3)	0.149 (6)	0.124 (4)	−0.054 (3)	0.036 (3)	−0.048 (4)
Cl4A	0.141 (5)	0.253 (9)	0.160 (5)	0.026 (5)	0.082 (4)	0.102 (6)
C34B	0.081 (9)	0.056 (10)	0.074 (9)	0.009 (8)	0.024 (7)	−0.001 (8)
Cl2B	0.107 (4)	0.117 (5)	0.228 (7)	−0.023 (4)	0.035 (4)	−0.058 (5)
Cl3B	0.111 (3)	0.117 (4)	0.103 (3)	0.031 (3)	0.064 (3)	0.017 (3)
Cl4B	0.137 (4)	0.216 (7)	0.073 (3)	0.072 (5)	0.044 (3)	0.026 (4)
C34C	0.092 (11)	0.106 (15)	0.086 (10)	−0.030 (11)	−0.007 (9)	0.029 (10)
Cl2C	0.081 (3)	0.120 (4)	0.114 (4)	−0.026 (3)	0.030 (3)	−0.025 (3)
Cl3C	0.084 (3)	0.138 (4)	0.181 (5)	−0.002 (3)	0.048 (3)	0.068 (4)
Cl4C	0.270 (9)	0.104 (4)	0.175 (6)	−0.009 (5)	0.142 (6)	0.014 (4)
C34D	0.078 (9)	0.068 (9)	0.067 (8)	−0.003 (7)	0.021 (7)	0.016 (7)
Cl2D	0.109 (3)	0.099 (4)	0.100 (3)	−0.017 (3)	0.027 (2)	−0.024 (3)
Cl3D	0.128 (4)	0.220 (7)	0.154 (5)	0.098 (5)	0.079 (4)	0.103 (5)
Cl4D	0.197 (6)	0.090 (3)	0.167 (5)	−0.060 (4)	0.094 (4)	−0.042 (3)
C34E	0.078 (9)	0.099 (13)	0.076 (10)	−0.015 (9)	0.013 (8)	0.000 (9)
Cl2E	0.109 (3)	0.096 (3)	0.100 (3)	−0.017 (3)	0.026 (3)	−0.006 (3)
Cl3E	0.137 (4)	0.179 (7)	0.141 (5)	0.078 (5)	0.007 (4)	0.023 (5)
Cl4E	0.193 (6)	0.297 (11)	0.251 (8)	−0.181 (7)	0.171 (6)	−0.197 (8)
C34F	0.085 (9)	0.067 (11)	0.066 (9)	−0.015 (9)	0.027 (7)	−0.017 (8)
Cl2F	0.112 (3)	0.114 (4)	0.125 (4)	−0.041 (3)	0.071 (3)	−0.026 (3)
Cl3F	0.109 (3)	0.163 (5)	0.082 (3)	−0.027 (3)	0.046 (2)	−0.008 (3)
Cl4F	0.105 (4)	0.113 (5)	0.163 (5)	0.019 (3)	0.003 (3)	0.053 (4)

Geometric parameters (Å, º)

Cu1A—O1A^i	1.883 (8)	N1B—C7B	1.299 (12)
Cu1A—O1A	1.883 (8)	N1B—C8B	1.482 (12)
Cu1A—N1A	1.932 (8)	C1B—C2B	1.422 (15)
Cu1A—N1A^i	1.932 (8)	C1B—C6B	1.452 (15)
P1A—C28A	1.765 (12)	C2B—C3B	1.357 (14)
P1A—C15A	1.776 (11)	C2B—C11B	1.539 (16)
P1A—C16A	1.785 (10)	C3B—H3B	0.9601
P1A—C22A	1.798 (11)	C3B—C4B	1.365 (15)
O1A—C1A	1.334 (12)	C4B—C5B	1.363 (15)
N1A—C7A	1.262 (12)	C4B—C15B	1.474 (13)
N1A—C8A	1.472 (11)	C5B—H5B	0.9599
C1A—C6A	1.406 (16)	C5B—C6B	1.415 (14)
C1A—C2A	1.451 (15)	C6B—C7B	1.440 (15)
C2A—C3A	1.384 (15)	C7B—H7B	0.9601
C2A—C11A	1.528 (17)	C8B—H8B	0.9600
C3A—H3A	0.9599	C8B—C9B	1.487 (14)
C3A—C4A	1.442 (16)	C8B—C8B^ii	1.538 (17)
C4A—C5A	1.360 (16)	C9B—H9D	0.9599
C4A—C15A	1.537 (13)	C9B—H9C	0.9600
C5A—H5A	0.9600	C9B—C10B	1.501 (15)
C5A—C6A	1.394 (14)	C10B—H10C	0.9601
C6A—C7A	1.394 (15)	C10B—H10D	0.9601
C7A—H7A	0.9599	C10B—C10B^ii	1.55 (2)
C8A—H8A	0.9601	C11B—C14B	1.515 (18)
C8A—C9A	1.523 (14)	C11B—C12B	1.536 (17)
C8A—C8A^i	1.531 (17)	C11B—C13B	1.556 (18)
C9A—H9B	0.9600	C12B—H12F	0.9599
C9A—H9A	0.9601	C12B—H12D	0.9600
C9A—C10A	1.565 (13)	C12B—H12E	0.9601
C10A—H10A	0.9601	C13B—H13D	0.9599
C10A—H10B	0.9601	C13B—H13E	0.9600
C10A—C10A^i	1.502 (19)	C13B—H13F	0.9600
C11A—C14A	1.515 (19)	C14B—H14F	0.9600
C11A—C13A	1.521 (18)	C14B—H14E	0.9600
C11A—C12A	1.554 (18)	C14B—H14D	0.9601
C12A—H12A	0.9600	C15B—H15C	0.9600
C12A—H12C	0.9600	C15B—H15D	0.9602
C12A—H12B	0.9600	C16B—C17B	1.383 (18)
C13A—H13C	0.9599	C16B—C21B	1.415 (16)
C13A—H13A	0.9600	C17B—H17B	0.9600
C13A—H13B	0.9601	C17B—C18B	1.374 (17)
C14A—H14B	0.9600	C18B—H18B	0.9601
C14A—H14C	0.9601	C18B—C19B	1.356 (19)
C14A—H14A	0.9601	C19B—H19B	0.9599
C15A—H15A	0.9600	C19B—C20B	1.39 (2)
C15A—H15B	0.9600	C20B—H20B	0.9600
C16A—C21A	1.368 (15)	C20B—C21B	1.39 (2)
C16A—C17A	1.403 (15)	C21B—H21B	0.9601
C17A—H17A	0.9601	C22B—C27B	1.370 (16)
C17A—C18A	1.409 (16)	C22B—C23B	1.379 (16)
C18A—H18A	0.9600	C23B—H23B	0.9600
C18A—C19A	1.351 (18)	C23B—C24B	1.404 (15)
C19A—H19A	0.9599	C24B—H24B	0.9600
C19A—C20A	1.342 (18)	C24B—C25B	1.356 (18)
C20A—H20A	0.9601	C25B—H25B	0.9600
C20A—C21A	1.382 (17)	C25B—C26B	1.37 (2)
C21A—H21A	0.9600	C26B—H26B	0.9600
C22A—C27A	1.33 (2)	C26B—C27B	1.373 (16)
C22A—C23A	1.386 (19)	C27B—H27B	0.9600
C23A—H23A	0.9600	C28B—C33B	1.367 (16)
C23A—C24A	1.39 (2)	C28B—C29B	1.463 (16)
C24A—H24A	0.9600	C29B—H29B	0.9599
C24A—C25A	1.30 (3)	C29B—C30B	1.373 (18)
C25A—H25A	0.9600	C30B—H30B	0.9600
C25A—C26A	1.34 (2)	C30B—C31B	1.39 (2)
C26A—H26A	0.9600	C31B—H31B	0.9601
C26A—C27A	1.42 (2)	C31B—C32B	1.41 (2)
C27A—H27A	0.9601	C32B—H32B	0.9599
C28A—C29A	1.348 (15)	C32B—C33B	1.350 (19)
C28A—C33A	1.418 (17)	C33B—H33B	0.9600
C29A—H29A	0.9601	C34A—Cl4A	1.66 (2)
C29A—C30A	1.41 (2)	C34A—Cl2A	1.71 (2)
C30A—H30A	0.9600	C34A—Cl3A	1.76 (2)
C30A—C31A	1.33 (2)	C34B—Cl4B	1.736 (15)
C31A—H31A	0.9600	C34B—Cl3B	1.738 (14)
C31A—C32A	1.362 (19)	C34B—Cl2B	1.740 (15)
C32A—H32A	0.9601	C34C—Cl2C	1.644 (19)
C32A—C33A	1.407 (19)	C34C—Cl3C	1.698 (18)
C33A—H33A	0.9600	C34C—Cl4C	1.82 (2)
Cu1B—O1B	1.902 (7)	C34D—Cl3D	1.715 (15)
Cu1B—O1B^ii	1.902 (7)	C34D—Cl2D	1.749 (18)
Cu1B—N1B	1.926 (9)	C34D—Cl4D	1.753 (16)
Cu1B—N1B^ii	1.926 (9)	C34E—Cl3E	1.709 (17)
P1B—C28B	1.777 (13)	C34E—Cl4E	1.716 (17)
P1B—C16B	1.812 (11)	C34E—Cl2E	1.762 (19)
P1B—C22B	1.819 (11)	C34F—Cl3F	1.708 (14)
P1B—C15B	1.833 (8)	C34F—Cl4F	1.709 (16)
O1B—C1B	1.296 (12)	C34F—Cl2F	1.747 (15)
O1A^i—Cu1A—O1A	89.5 (5)	C28B—P1B—C15B	113.0 (5)
O1A^i—Cu1A—N1A	175.3 (4)	C16B—P1B—C15B	106.3 (5)
O1A—Cu1A—N1A	93.4 (3)	C22B—P1B—C15B	109.2 (5)
O1A^i—Cu1A—N1A^i	93.4 (3)	C1B—O1B—Cu1B	127.9 (7)
O1A—Cu1A—N1A^i	175.3 (4)	C7B—N1B—C8B	120.4 (9)
N1A—Cu1A—N1A^i	84.1 (5)	C7B—N1B—Cu1B	126.8 (7)
C28A—P1A—C15A	107.0 (5)	C8B—N1B—Cu1B	112.8 (6)
C28A—P1A—C16A	110.8 (6)	O1B—C1B—C2B	121.6 (9)
C15A—P1A—C16A	108.0 (5)	O1B—C1B—C6B	121.8 (10)
C28A—P1A—C22A	109.9 (5)	C2B—C1B—C6B	116.6 (9)
C15A—P1A—C22A	112.9 (5)	C3B—C2B—C1B	119.4 (10)
C16A—P1A—C22A	108.2 (5)	C3B—C2B—C11B	120.7 (10)
C1A—O1A—Cu1A	127.7 (7)	C1B—C2B—C11B	119.8 (9)
C7A—N1A—C8A	124.6 (8)	H3B—C3B—C2B	117.2 (7)
C7A—N1A—Cu1A	123.1 (7)	H3B—C3B—C4B	117.6 (6)
C8A—N1A—Cu1A	112.4 (5)	C2B—C3B—C4B	125.2 (10)
O1A—C1A—C6A	122.4 (10)	C5B—C4B—C3B	117.5 (8)
O1A—C1A—C2A	117.9 (10)	C5B—C4B—C15B	120.1 (10)
C6A—C1A—C2A	119.8 (9)	C3B—C4B—C15B	122.4 (9)
C3A—C2A—C1A	117.5 (10)	H5B—C5B—C4B	119.1 (6)
C3A—C2A—C11A	120.8 (10)	H5B—C5B—C6B	118.9 (7)
C1A—C2A—C11A	121.7 (9)	C4B—C5B—C6B	122.0 (10)
H3A—C3A—C2A	119.2 (7)	C5B—C6B—C7B	116.6 (10)
H3A—C3A—C4A	119.2 (6)	C5B—C6B—C1B	119.2 (10)
C2A—C3A—C4A	121.6 (10)	C7B—C6B—C1B	124.2 (9)
C5A—C4A—C3A	119.5 (9)	H7B—C7B—N1B	117.9 (6)
C5A—C4A—C15A	121.7 (9)	H7B—C7B—C6B	118.6 (6)
C3A—C4A—C15A	118.8 (10)	N1B—C7B—C6B	123.5 (10)
H5A—C5A—C4A	119.1 (6)	H8B—C8B—N1B	107.9 (5)
H5A—C5A—C6A	120.0 (7)	H8B—C8B—C9B	106.4 (6)
C4A—C5A—C6A	121.0 (11)	N1B—C8B—C9B	117.9 (8)
C5A—C6A—C7A	116.9 (10)	H8B—C8B—C8B^ii	107.7 (7)
C5A—C6A—C1A	120.6 (10)	N1B—C8B—C8B^ii	105.9 (6)
C7A—C6A—C1A	122.2 (9)	C9B—C8B—C8B^ii	110.6 (7)
H7A—C7A—N1A	115.7 (6)	H9D—C9B—H9C	107.9
H7A—C7A—C6A	114.6 (6)	H9D—C9B—C8B	108.3 (6)
N1A—C7A—C6A	129.7 (9)	H9C—C9B—C8B	109.6 (6)
H8A—C8A—N1A	108.1 (5)	H9D—C9B—C10B	107.6 (7)
H8A—C8A—C9A	108.8 (6)	H9C—C9B—C10B	110.8 (6)
N1A—C8A—C9A	115.3 (7)	C8B—C9B—C10B	112.5 (8)
H8A—C8A—C8A^i	108.0 (7)	H10C—C10B—H10D	108.2
N1A—C8A—C8A^i	105.7 (6)	H10C—C10B—C9B	108.0 (7)
C9A—C8A—C8A^i	110.8 (7)	H10D—C10B—C9B	109.9 (6)
H9B—C9A—H9A	108.5	H10C—C10B—C10B^ii	109.2 (9)
H9B—C9A—C8A	110.5 (6)	H10D—C10B—C10B^ii	110.0 (5)
H9A—C9A—C8A	109.1 (5)	C9B—C10B—C10B^ii	111.6 (8)
H9B—C9A—C10A	111.4 (7)	C14B—C11B—C12B	107.9 (11)
H9A—C9A—C10A	109.5 (6)	C14B—C11B—C2B	109.8 (10)
C8A—C9A—C10A	107.9 (8)	C12B—C11B—C2B	111.7 (9)
H10A—C10A—H10B	107.9	C14B—C11B—C13B	108.6 (11)
H10A—C10A—C10A^i	109.7 (10)	C12B—C11B—C13B	108.8 (11)
H10B—C10A—C10A^i	108.8 (5)	C2B—C11B—C13B	110.1 (11)
H10A—C10A—C9A	110.3 (7)	H12F—C12B—H12D	109.5
H10B—C10A—C9A	108.7 (6)	H12F—C12B—H12E	109.5
C10A^i—C10A—C9A	111.4 (8)	H12D—C12B—H12E	109.5
C14A—C11A—C13A	108.5 (12)	H12F—C12B—C11B	109.5 (6)
C14A—C11A—C2A	111.0 (12)	H12D—C12B—C11B	108.0 (7)
C13A—C11A—C2A	110.7 (10)	H12E—C12B—C11B	110.9 (8)
C14A—C11A—C12A	111.1 (11)	H13D—C13B—H13E	109.5
C13A—C11A—C12A	106.6 (12)	H13D—C13B—H13F	109.5
C2A—C11A—C12A	108.8 (11)	H13E—C13B—H13F	109.5
H12A—C12A—H12C	109.5	H13D—C13B—C11B	109.9 (7)
H12A—C12A—H12B	109.5	H13E—C13B—C11B	109.0 (8)
H12C—C12A—H12B	109.5	H13F—C13B—C11B	109.6 (8)
H12A—C12A—C11A	109.9 (7)	H14F—C14B—H14E	109.5
H12C—C12A—C11A	110.1 (8)	H14F—C14B—H14D	109.5
H12B—C12A—C11A	108.4 (8)	H14E—C14B—H14D	109.5
H13C—C13A—H13A	109.5	H14F—C14B—C11B	109.3 (7)
H13C—C13A—H13B	109.5	H14E—C14B—C11B	108.7 (7)
H13A—C13A—H13B	109.5	H14D—C14B—C11B	110.4 (7)
H13C—C13A—C11A	110.7 (9)	H15C—C15B—H15D	107.7
H13A—C13A—C11A	108.6 (9)	H15C—C15B—C4B	107.9 (6)
H13B—C13A—C11A	109.1 (7)	H15D—C15B—C4B	109.0 (6)
H14B—C14A—H14C	109.5	H15C—C15B—P1B	108.6 (3)
H14B—C14A—H14A	109.5	H15D—C15B—P1B	109.2 (3)
H14C—C14A—H14A	109.5	C4B—C15B—P1B	114.3 (7)
H14B—C14A—C11A	110.5 (8)	C17B—C16B—C21B	121.2 (12)
H14C—C14A—C11A	108.2 (7)	C17B—C16B—P1B	117.1 (9)
H14A—C14A—C11A	109.7 (7)	C21B—C16B—P1B	120.2 (11)
H15A—C15A—H15B	108.1	H17B—C17B—C18B	122.3 (8)
H15A—C15A—C4A	108.1 (6)	H17B—C17B—C16B	120.1 (7)
H15B—C15A—C4A	109.8 (6)	C18B—C17B—C16B	117.6 (12)
H15A—C15A—P1A	108.6 (4)	H18B—C18B—C19B	118.5 (9)
H15B—C15A—P1A	109.7 (4)	H18B—C18B—C17B	117.7 (8)
C4A—C15A—P1A	112.4 (7)	C19B—C18B—C17B	123.8 (14)
C21A—C16A—C17A	118.4 (10)	H19B—C19B—C18B	121.5 (9)
C21A—C16A—P1A	120.3 (9)	H19B—C19B—C20B	119.8 (8)
C17A—C16A—P1A	121.2 (8)	C18B—C19B—C20B	118.6 (13)
H17A—C17A—C16A	120.1 (6)	H20B—C20B—C21B	119.2 (9)
H17A—C17A—C18A	122.1 (7)	H20B—C20B—C19B	120.2 (8)
C16A—C17A—C18A	117.7 (11)	C21B—C20B—C19B	120.6 (13)
H18A—C18A—C19A	120.7 (8)	H21B—C21B—C20B	120.8 (9)
H18A—C18A—C17A	117.9 (7)	H21B—C21B—C16B	121.1 (9)
C19A—C18A—C17A	121.4 (13)	C20B—C21B—C16B	118.1 (15)
H19A—C19A—C20A	119.8 (7)	C27B—C22B—C23B	122.3 (10)
H19A—C19A—C18A	119.3 (8)	C27B—C22B—P1B	116.3 (9)
C20A—C19A—C18A	120.9 (12)	C23B—C22B—P1B	121.1 (9)
H20A—C20A—C19A	120.2 (7)	H23B—C23B—C22B	121.3 (7)
H20A—C20A—C21A	120.6 (8)	H23B—C23B—C24B	119.5 (8)
C19A—C20A—C21A	119.2 (12)	C22B—C23B—C24B	119.2 (12)
H21A—C21A—C16A	118.3 (7)	H24B—C24B—C25B	121.4 (7)
H21A—C21A—C20A	119.4 (8)	H24B—C24B—C23B	120.5 (8)
C16A—C21A—C20A	122.2 (12)	C25B—C24B—C23B	118.2 (12)
C27A—C22A—C23A	120.7 (12)	H25B—C25B—C24B	118.6 (7)
C27A—C22A—P1A	119.5 (9)	H25B—C25B—C26B	120.1 (7)
C23A—C22A—P1A	119.6 (10)	C24B—C25B—C26B	121.3 (11)
H23A—C23A—C22A	119.3 (8)	H26B—C26B—C25B	119.9 (7)
H23A—C23A—C24A	122.6 (11)	H26B—C26B—C27B	118.0 (9)
C22A—C23A—C24A	118.0 (15)	C25B—C26B—C27B	122.0 (13)
H24A—C24A—C25A	121.3 (9)	H27B—C27B—C22B	121.1 (7)
H24A—C24A—C23A	117.3 (11)	H27B—C27B—C26B	121.9 (9)
C25A—C24A—C23A	121.3 (14)	C22B—C27B—C26B	116.8 (13)
H25A—C25A—C24A	118.5 (9)	C33B—C28B—C29B	119.5 (12)
H25A—C25A—C26A	119.6 (10)	C33B—C28B—P1B	122.3 (11)
C24A—C25A—C26A	121.1 (15)	C29B—C28B—P1B	118.0 (8)
H26A—C26A—C25A	120.2 (10)	H29B—C29B—C30B	122.4 (9)
H26A—C26A—C27A	120.3 (9)	H29B—C29B—C28B	120.2 (6)
C25A—C26A—C27A	119.4 (15)	C30B—C29B—C28B	117.4 (11)
H27A—C27A—C22A	121.4 (7)	H30B—C30B—C29B	117.6 (9)
H27A—C27A—C26A	119.7 (9)	H30B—C30B—C31B	120.1 (10)
C22A—C27A—C26A	118.8 (12)	C29B—C30B—C31B	122.2 (16)
C29A—C28A—C33A	118.2 (12)	H31B—C31B—C30B	119.9 (10)
C29A—C28A—P1A	123.5 (11)	H31B—C31B—C32B	121.9 (8)
C33A—C28A—P1A	117.7 (8)	C30B—C31B—C32B	118.0 (14)
H29A—C29A—C28A	118.7 (8)	H32B—C32B—C33B	120.4 (8)
H29A—C29A—C30A	121.2 (8)	H32B—C32B—C31B	118.0 (8)
C28A—C29A—C30A	120.1 (13)	C33B—C32B—C31B	121.3 (12)
H30A—C30A—C31A	120.3 (9)	H33B—C33B—C32B	119.5 (8)
H30A—C30A—C29A	118.8 (8)	H33B—C33B—C28B	119.3 (9)
C31A—C30A—C29A	120.9 (12)	C32B—C33B—C28B	121.2 (14)
H31A—C31A—C30A	119.7 (9)	Cl4A—C34A—Cl2A	115.6 (16)
H31A—C31A—C32A	118.3 (10)	Cl4A—C34A—Cl3A	112.4 (14)
C30A—C31A—C32A	121.9 (14)	Cl2A—C34A—Cl3A	111.0 (10)
H32A—C32A—C31A	121.7 (10)	Cl4B—C34B—Cl3B	109.2 (8)
H32A—C32A—C33A	120.3 (8)	Cl4B—C34B—Cl2B	107.5 (9)
C31A—C32A—C33A	118.0 (15)	Cl3B—C34B—Cl2B	111.6 (9)
H33A—C33A—C32A	119.7 (8)	Cl2C—C34C—Cl3C	119.8 (12)
H33A—C33A—C28A	119.5 (6)	Cl2C—C34C—Cl4C	111.0 (10)
C32A—C33A—C28A	120.8 (11)	Cl3C—C34C—Cl4C	104.7 (11)
O1B—Cu1B—O1B^ii	89.8 (4)	Cl3D—C34D—Cl2D	110.3 (9)
O1B—Cu1B—N1B	92.9 (3)	Cl3D—C34D—Cl4D	110.3 (10)
O1B^ii—Cu1B—N1B	176.2 (4)	Cl2D—C34D—Cl4D	108.8 (8)
O1B—Cu1B—N1B^ii	176.2 (4)	Cl3E—C34E—Cl4E	114.3 (12)
O1B^ii—Cu1B—N1B^ii	92.9 (3)	Cl3E—C34E—Cl2E	108.6 (9)
N1B—Cu1B—N1B^ii	84.5 (5)	Cl4E—C34E—Cl2E	106.0 (9)
C28B—P1B—C16B	109.8 (6)	Cl3F—C34F—Cl4F	111.6 (9)
C28B—P1B—C22B	109.4 (5)	Cl3F—C34F—Cl2F	109.9 (8)
C16B—P1B—C22B	109.0 (5)	Cl4F—C34F—Cl2F	111.4 (10)
O1A^i—Cu1A—O1A—C1A	−171.4 (11)	O1B^ii—Cu1B—O1B—C1B	−163.3 (11)
N1A—Cu1A—O1A—C1A	12.3 (9)	N1B—Cu1B—O1B—C1B	19.4 (10)
N1A^i—Cu1A—O1A—C1A	−44 (5)	N1B^ii—Cu1B—O1B—C1B	−27 (6)
O1A^i—Cu1A—N1A—C7A	−139 (4)	O1B—Cu1B—N1B—C7B	−12.0 (8)
O1A—Cu1A—N1A—C7A	−11.6 (8)	O1B^ii—Cu1B—N1B—C7B	−148 (6)
N1A^i—Cu1A—N1A—C7A	164.5 (10)	N1B^ii—Cu1B—N1B—C7B	165.2 (10)
O1A^i—Cu1A—N1A—C8A	42 (5)	O1B—Cu1B—N1B—C8B	169.0 (7)
O1A—Cu1A—N1A—C8A	169.7 (7)	O1B^ii—Cu1B—N1B—C8B	33 (6)
N1A^i—Cu1A—N1A—C8A	−14.3 (5)	N1B^ii—Cu1B—N1B—C8B	−13.7 (4)
Cu1A—O1A—C1A—C6A	−6.1 (16)	Cu1B—O1B—C1B—C2B	163.2 (8)
Cu1A—O1A—C1A—C2A	173.0 (7)	Cu1B—O1B—C1B—C6B	−16.7 (16)
O1A—C1A—C2A—C3A	−179.5 (10)	O1B—C1B—C2B—C3B	177.3 (10)
C6A—C1A—C2A—C3A	−0.3 (15)	C6B—C1B—C2B—C3B	−2.8 (16)
O1A—C1A—C2A—C11A	−0.6 (16)	O1B—C1B—C2B—C11B	−0.3 (17)
C6A—C1A—C2A—C11A	178.5 (11)	C6B—C1B—C2B—C11B	179.6 (11)
C1A—C2A—C3A—H3A	176.6 (7)	C1B—C2B—C3B—H3B	−179.7 (8)
C11A—C2A—C3A—H3A	−2.3 (13)	C11B—C2B—C3B—H3B	−2.0 (13)
C1A—C2A—C3A—C4A	−2.4 (16)	C1B—C2B—C3B—C4B	1.2 (18)
C11A—C2A—C3A—C4A	178.7 (11)	C11B—C2B—C3B—C4B	178.9 (11)
H3A—C3A—C4A—C5A	−175.4 (7)	H3B—C3B—C4B—C5B	−178.9 (7)
C2A—C3A—C4A—C5A	3.6 (16)	C2B—C3B—C4B—C5B	0.2 (16)
H3A—C3A—C4A—C15A	4.5 (11)	H3B—C3B—C4B—C15B	1.1 (12)
C2A—C3A—C4A—C15A	−176.5 (10)	C2B—C3B—C4B—C15B	−179.8 (10)
C3A—C4A—C5A—H5A	176.9 (7)	C3B—C4B—C5B—H5B	179.4 (7)
C15A—C4A—C5A—H5A	−2.9 (12)	C15B—C4B—C5B—H5B	−0.6 (11)
C3A—C4A—C5A—C6A	−2.0 (15)	C3B—C4B—C5B—C6B	0.1 (15)
C15A—C4A—C5A—C6A	178.2 (9)	C15B—C4B—C5B—C6B	−179.9 (9)
H5A—C5A—C6A—C7A	6.1 (12)	H5B—C5B—C6B—C7B	0.5 (11)
C4A—C5A—C6A—C7A	−175.1 (9)	C4B—C5B—C6B—C7B	179.8 (9)
H5A—C5A—C6A—C1A	−179.6 (7)	H5B—C5B—C6B—C1B	178.9 (7)
C4A—C5A—C6A—C1A	−0.8 (17)	C4B—C5B—C6B—C1B	−1.7 (16)
O1A—C1A—C6A—C5A	−179.0 (10)	O1B—C1B—C6B—C5B	−177.1 (10)
C2A—C1A—C6A—C5A	1.9 (16)	C2B—C1B—C6B—C5B	3.0 (15)
O1A—C1A—C6A—C7A	−5.0 (17)	O1B—C1B—C6B—C7B	1.2 (17)
C2A—C1A—C6A—C7A	175.9 (10)	C2B—C1B—C6B—C7B	−178.7 (11)
C8A—N1A—C7A—H7A	1.3 (11)	C8B—N1B—C7B—H7B	2.5 (10)
Cu1A—N1A—C7A—H7A	−177.3 (4)	Cu1B—N1B—C7B—H7B	−176.4 (4)
C8A—N1A—C7A—C6A	−176.0 (10)	C8B—N1B—C7B—C6B	−178.5 (9)
Cu1A—N1A—C7A—C6A	5.4 (15)	Cu1B—N1B—C7B—C6B	2.6 (14)
C5A—C6A—C7A—H7A	2.1 (11)	C5B—C6B—C7B—H7B	3.3 (11)
C1A—C6A—C7A—H7A	−172.1 (8)	C1B—C6B—C7B—H7B	−175.1 (8)
C5A—C6A—C7A—N1A	179.4 (10)	C5B—C6B—C7B—N1B	−175.7 (9)
C1A—C6A—C7A—N1A	5.2 (17)	C1B—C6B—C7B—N1B	6.0 (16)
C7A—N1A—C8A—H8A	103.6 (9)	C7B—N1B—C8B—H8B	102.1 (8)
Cu1A—N1A—C8A—H8A	−77.7 (5)	Cu1B—N1B—C8B—H8B	−78.9 (5)
C7A—N1A—C8A—C9A	−18.4 (14)	C7B—N1B—C8B—C9B	−18.4 (13)
Cu1A—N1A—C8A—C9A	160.4 (7)	Cu1B—N1B—C8B—C9B	160.6 (8)
C7A—N1A—C8A—C8A^i	−141.0 (10)	C7B—N1B—C8B—C8B^ii	−142.8 (9)
Cu1A—N1A—C8A—C8A^i	37.7 (10)	Cu1B—N1B—C8B—C8B^ii	36.2 (10)
H8A—C8A—C9A—H9B	−178.043 (17)	H8B—C8B—C9B—H9D	179.191 (17)
N1A—C8A—C9A—H9B	−56.5 (8)	N1B—C8B—C9B—H9D	−59.6 (8)
C8A^i—C8A—C9A—H9B	63.4 (8)	C8B^ii—C8B—C9B—H9D	62.5 (8)
H8A—C8A—C9A—H9A	−58.9 (3)	H8B—C8B—C9B—H9C	−63.3 (3)
N1A—C8A—C9A—H9A	62.7 (8)	N1B—C8B—C9B—H9C	57.9 (9)
C8A^i—C8A—C9A—H9A	−177.4 (7)	C8B^ii—C8B—C9B—H9C	179.9 (6)
H8A—C8A—C9A—C10A	60.0 (9)	H8B—C8B—C9B—C10B	60.4 (10)
N1A—C8A—C9A—C10A	−178.5 (9)	N1B—C8B—C9B—C10B	−178.3 (9)
C8A^i—C8A—C9A—C10A	−58.6 (12)	C8B^ii—C8B—C9B—C10B	−56.3 (13)
H9B—C9A—C10A—H10A	173.90 (3)	H9D—C9B—C10B—H10C	173.78 (3)
H9A—C9A—C10A—H10A	53.9 (4)	H9C—C9B—C10B—H10C	56.1 (4)
C8A—C9A—C10A—H10A	−64.6 (8)	C8B—C9B—C10B—H10C	−67.0 (9)
H9B—C9A—C10A—H10B	55.8 (4)	H9D—C9B—C10B—H10D	56.0 (4)
H9A—C9A—C10A—H10B	−64.1 (4)	H9C—C9B—C10B—H10D	−61.7 (4)
C8A—C9A—C10A—H10B	177.3 (6)	C8B—C9B—C10B—H10D	175.2 (7)
H9B—C9A—C10A—C10A^i	−64.0 (12)	H9D—C9B—C10B—C10B^ii	−66.3 (11)
H9A—C9A—C10A—C10A^i	176.0 (9)	H9C—C9B—C10B—C10B^ii	176.0 (9)
C8A—C9A—C10A—C10A^i	57.4 (14)	C8B—C9B—C10B—C10B^ii	52.9 (15)
C3A—C2A—C11A—C14A	118.0 (12)	C3B—C2B—C11B—C14B	−114.8 (13)
C1A—C2A—C11A—C14A	−60.9 (14)	C1B—C2B—C11B—C14B	62.9 (14)
C3A—C2A—C11A—C13A	−2.7 (17)	C3B—C2B—C11B—C12B	4.8 (16)
C1A—C2A—C11A—C13A	178.5 (13)	C1B—C2B—C11B—C12B	−177.5 (12)
C3A—C2A—C11A—C12A	−119.5 (12)	C3B—C2B—C11B—C13B	125.7 (12)
C1A—C2A—C11A—C12A	61.7 (15)	C1B—C2B—C11B—C13B	−56.6 (15)
C14A—C11A—C12A—H12A	62.9 (11)	C14B—C11B—C12B—H12F	−56.4 (10)
C13A—C11A—C12A—H12A	−179.0 (8)	C2B—C11B—C12B—H12F	−177.1 (7)
C2A—C11A—C12A—H12A	−59.6 (10)	C13B—C11B—C12B—H12F	61.2 (11)
C14A—C11A—C12A—H12C	−57.8 (11)	C14B—C11B—C12B—H12D	62.7 (9)
C13A—C11A—C12A—H12C	60.3 (11)	C2B—C11B—C12B—H12D	−58.0 (10)
C2A—C11A—C12A—H12C	179.7 (7)	C13B—C11B—C12B—H12D	−179.7 (8)
C14A—C11A—C12A—H12B	−177.5 (8)	C14B—C11B—C12B—H12E	−177.4 (7)
C13A—C11A—C12A—H12B	−59.4 (11)	C2B—C11B—C12B—H12E	61.9 (10)
C2A—C11A—C12A—H12B	60.0 (10)	C13B—C11B—C12B—H12E	−59.7 (10)
C14A—C11A—C13A—H13C	−179.3 (8)	C14B—C11B—C13B—H13D	−63.7 (10)
C2A—C11A—C13A—H13C	−57.2 (11)	C12B—C11B—C13B—H13D	179.2 (7)
C12A—C11A—C13A—H13C	60.9 (10)	C2B—C11B—C13B—H13D	56.5 (9)
C14A—C11A—C13A—H13A	−59.1 (10)	C14B—C11B—C13B—H13E	56.3 (10)
C2A—C11A—C13A—H13A	62.9 (11)	C12B—C11B—C13B—H13E	−60.9 (10)
C12A—C11A—C13A—H13A	−178.9 (8)	C2B—C11B—C13B—H13E	176.5 (7)
C14A—C11A—C13A—H13B	60.1 (11)	C14B—C11B—C13B—H13F	176.1 (8)
C2A—C11A—C13A—H13B	−177.8 (8)	C12B—C11B—C13B—H13F	58.9 (10)
C12A—C11A—C13A—H13B	−59.6 (11)	C2B—C11B—C13B—H13F	−63.7 (9)
C13A—C11A—C14A—H14B	−58.9 (10)	C12B—C11B—C14B—H14F	176.7 (7)
C2A—C11A—C14A—H14B	179.1 (6)	C2B—C11B—C14B—H14F	−61.4 (9)
C12A—C11A—C14A—H14B	57.9 (11)	C13B—C11B—C14B—H14F	59.0 (10)
C13A—C11A—C14A—H14C	60.9 (10)	C12B—C11B—C14B—H14E	57.3 (9)
C2A—C11A—C14A—H14C	−61.0 (9)	C2B—C11B—C14B—H14E	179.2 (7)
C12A—C11A—C14A—H14C	177.8 (8)	C13B—C11B—C14B—H14E	−60.4 (10)
C13A—C11A—C14A—H14A	−179.7 (8)	C12B—C11B—C14B—H14D	−62.8 (9)
C2A—C11A—C14A—H14A	58.3 (9)	C2B—C11B—C14B—H14D	59.1 (9)
C12A—C11A—C14A—H14A	−62.9 (11)	C13B—C11B—C14B—H14D	179.5 (7)
C5A—C4A—C15A—H15A	38.5 (11)	C5B—C4B—C15B—H15C	−152.5 (8)
C3A—C4A—C15A—H15A	−141.4 (8)	C3B—C4B—C15B—H15C	27.5 (11)
C5A—C4A—C15A—H15B	156.2 (8)	C5B—C4B—C15B—H15D	−35.9 (10)
C3A—C4A—C15A—H15B	−23.7 (10)	C3B—C4B—C15B—H15D	144.1 (8)
C5A—C4A—C15A—P1A	−81.4 (12)	C5B—C4B—C15B—P1B	86.6 (11)
C3A—C4A—C15A—P1A	98.7 (10)	C3B—C4B—C15B—P1B	−93.4 (11)
C28A—P1A—C15A—H15A	−69.4 (4)	C28B—P1B—C15B—H15C	−48.4 (5)
C16A—P1A—C15A—H15A	49.9 (5)	C16B—P1B—C15B—H15C	−168.9 (4)
C22A—P1A—C15A—H15A	169.5 (4)	C22B—P1B—C15B—H15C	73.6 (5)
C28A—P1A—C15A—H15B	172.6 (4)	C28B—P1B—C15B—H15D	−165.5 (4)
C16A—P1A—C15A—H15B	−68.0 (5)	C16B—P1B—C15B—H15D	74.0 (4)
C22A—P1A—C15A—H15B	51.5 (5)	C22B—P1B—C15B—H15D	−43.5 (5)
C28A—P1A—C15A—C4A	50.2 (9)	C28B—P1B—C15B—C4B	72.1 (9)
C16A—P1A—C15A—C4A	169.5 (8)	C16B—P1B—C15B—C4B	−48.4 (9)
C22A—P1A—C15A—C4A	−70.9 (9)	C22B—P1B—C15B—C4B	−165.8 (8)
C28A—P1A—C16A—C21A	157.1 (10)	C28B—P1B—C16B—C17B	168.3 (9)
C15A—P1A—C16A—C21A	40.1 (11)	C22B—P1B—C16B—C17B	48.4 (10)
C22A—P1A—C16A—C21A	−82.3 (10)	C15B—P1B—C16B—C17B	−69.2 (9)
C28A—P1A—C16A—C17A	−18.9 (10)	C28B—P1B—C16B—C21B	−25.8 (10)
C15A—P1A—C16A—C17A	−135.8 (9)	C22B—P1B—C16B—C21B	−145.6 (9)
C22A—P1A—C16A—C17A	101.7 (10)	C15B—P1B—C16B—C21B	96.7 (9)
C21A—C16A—C17A—H17A	−178.1 (8)	C21B—C16B—C17B—H17B	−179.6 (7)
P1A—C16A—C17A—H17A	−2.1 (10)	P1B—C16B—C17B—H17B	−13.8 (10)
C21A—C16A—C17A—C18A	3.4 (17)	C21B—C16B—C17B—C18B	1.7 (17)
P1A—C16A—C17A—C18A	179.4 (10)	P1B—C16B—C17B—C18B	167.5 (8)
H17A—C17A—C18A—H18A	1.1 (9)	H17B—C17B—C18B—H18B	0.9 (8)
C16A—C17A—C18A—H18A	179.6 (7)	C16B—C17B—C18B—H18B	179.6 (7)
H17A—C17A—C18A—C19A	−178.9 (10)	H17B—C17B—C18B—C19B	−178.3 (9)
C16A—C17A—C18A—C19A	0 (2)	C16B—C17B—C18B—C19B	0.4 (19)
H18A—C18A—C19A—H19A	1.1 (10)	H18B—C18B—C19B—H19B	1.7 (9)
C17A—C18A—C19A—H19A	−178.9 (10)	C17B—C18B—C19B—H19B	−179.1 (8)
H18A—C18A—C19A—C20A	179.0 (10)	H18B—C18B—C19B—C20B	178.2 (10)
C17A—C18A—C19A—C20A	−1 (2)	C17B—C18B—C19B—C20B	−3 (2)
H19A—C19A—C20A—H20A	−1.0 (10)	H19B—C19B—C20B—H20B	−1.9 (10)
C18A—C19A—C20A—H20A	−178.9 (10)	C18B—C19B—C20B—H20B	−178.4 (9)
H19A—C19A—C20A—C21A	177.3 (10)	H19B—C19B—C20B—C21B	179.4 (9)
C18A—C19A—C20A—C21A	−1 (2)	C18B—C19B—C20B—C21B	3 (2)
C17A—C16A—C21A—H21A	179.6 (7)	H20B—C20B—C21B—H21B	−0.6 (9)
P1A—C16A—C21A—H21A	3.5 (11)	C19B—C20B—C21B—H21B	178.1 (10)
C17A—C16A—C21A—C20A	−5.1 (19)	H20B—C20B—C21B—C16B	−179.7 (7)
P1A—C16A—C21A—C20A	178.8 (11)	C19B—C20B—C21B—C16B	−1 (2)
H20A—C20A—C21A—H21A	−2.7 (10)	C17B—C16B—C21B—H21B	179.5 (7)
C19A—C20A—C21A—H21A	179.0 (10)	P1B—C16B—C21B—H21B	14.2 (10)
H20A—C20A—C21A—C16A	−178.0 (9)	C17B—C16B—C21B—C20B	−1.4 (17)
C19A—C20A—C21A—C16A	4 (2)	P1B—C16B—C21B—C20B	−166.8 (10)
C28A—P1A—C22A—C27A	−140.2 (11)	C28B—P1B—C22B—C27B	77.8 (10)
C15A—P1A—C22A—C27A	−20.8 (14)	C16B—P1B—C22B—C27B	−162.1 (9)
C16A—P1A—C22A—C27A	98.7 (12)	C15B—P1B—C22B—C27B	−46.3 (10)
C28A—P1A—C22A—C23A	44.5 (14)	C28B—P1B—C22B—C23B	−96.6 (10)
C15A—P1A—C22A—C23A	163.9 (12)	C16B—P1B—C22B—C23B	23.5 (10)
C16A—P1A—C22A—C23A	−76.6 (14)	C15B—P1B—C22B—C23B	139.3 (9)
C27A—C22A—C23A—H23A	−178.6 (10)	C27B—C22B—C23B—H23B	−177.4 (8)
P1A—C22A—C23A—H23A	−3.3 (14)	P1B—C22B—C23B—H23B	−3.3 (11)
C27A—C22A—C23A—C24A	3 (3)	C27B—C22B—C23B—C24B	3.2 (18)
P1A—C22A—C23A—C24A	178.5 (17)	P1B—C22B—C23B—C24B	177.3 (9)
H23A—C23A—C24A—H24A	1.5 (17)	H23B—C23B—C24B—H24B	0.2 (8)
C22A—C23A—C24A—H24A	179.6 (11)	C22B—C23B—C24B—H24B	179.6 (7)
H23A—C23A—C24A—C25A	−175.1 (19)	H23B—C23B—C24B—C25B	−179.2 (9)
C22A—C23A—C24A—C25A	3 (4)	C22B—C23B—C24B—C25B	0.2 (18)
H24A—C24A—C25A—H25A	5 (2)	H24B—C24B—C25B—H25B	0.8 (9)
C23A—C24A—C25A—H25A	−178.7 (17)	C23B—C24B—C25B—H25B	−179.8 (8)
H24A—C24A—C25A—C26A	174.7 (15)	H24B—C24B—C25B—C26B	180.0 (9)
C23A—C24A—C25A—C26A	−9 (4)	C23B—C24B—C25B—C26B	−1 (2)
H25A—C25A—C26A—H26A	−5.3 (15)	H25B—C25B—C26B—H26B	−0.1 (9)
C24A—C25A—C26A—H26A	−175 (2)	C24B—C25B—C26B—H26B	−179.2 (9)
H25A—C25A—C26A—C27A	178.1 (11)	H25B—C25B—C26B—C27B	176.8 (10)
C24A—C25A—C26A—C27A	8 (4)	C24B—C25B—C26B—C27B	−2 (2)
C23A—C22A—C27A—H27A	179.7 (11)	C23B—C22B—C27B—H27B	179.5 (8)
P1A—C22A—C27A—H27A	4.4 (14)	P1B—C22B—C27B—H27B	5.2 (11)
C23A—C22A—C27A—C26A	−4 (2)	C23B—C22B—C27B—C26B	−5.9 (18)
P1A—C22A—C27A—C26A	−178.9 (12)	P1B—C22B—C27B—C26B	179.7 (10)
H26A—C26A—C27A—H27A	−1.9 (11)	H26B—C26B—C27B—H27B	−3.1 (10)
C25A—C26A—C27A—H27A	174.7 (15)	C25B—C26B—C27B—H27B	180.0 (9)
H26A—C26A—C27A—C22A	−178.7 (10)	H26B—C26B—C27B—C22B	−177.6 (8)
C25A—C26A—C27A—C22A	−2 (3)	C25B—C26B—C27B—C22B	5 (2)
C15A—P1A—C28A—C29A	−99.7 (11)	C16B—P1B—C28B—C33B	−44.2 (12)
C16A—P1A—C28A—C29A	142.8 (10)	C22B—P1B—C28B—C33B	75.4 (11)
C22A—P1A—C28A—C29A	23.2 (12)	C15B—P1B—C28B—C33B	−162.6 (10)
C15A—P1A—C28A—C33A	70.9 (10)	C16B—P1B—C28B—C29B	141.5 (9)
C16A—P1A—C28A—C33A	−46.6 (10)	C22B—P1B—C28B—C29B	−98.8 (9)
C22A—P1A—C28A—C33A	−166.1 (9)	C15B—P1B—C28B—C29B	23.1 (11)
C33A—C28A—C29A—H29A	−178.9 (7)	C33B—C28B—C29B—H29B	−177.6 (8)
P1A—C28A—C29A—H29A	−8.4 (12)	P1B—C28B—C29B—H29B	−3.2 (10)
C33A—C28A—C29A—C30A	2.9 (18)	C33B—C28B—C29B—C30B	1.4 (18)
P1A—C28A—C29A—C30A	173.5 (11)	P1B—C28B—C29B—C30B	175.8 (11)
H29A—C29A—C30A—H30A	0.7 (10)	H29B—C29B—C30B—H30B	−2.1 (11)
C28A—C29A—C30A—H30A	178.9 (8)	C28B—C29B—C30B—H30B	178.9 (7)
H29A—C29A—C30A—C31A	178.3 (11)	H29B—C29B—C30B—C31B	−178.0 (12)
C28A—C29A—C30A—C31A	−4 (2)	C28B—C29B—C30B—C31B	3 (2)
H30A—C30A—C31A—H31A	−1.6 (11)	H30B—C30B—C31B—H31B	2.0 (12)
C29A—C30A—C31A—H31A	−179.2 (10)	C29B—C30B—C31B—H31B	177.8 (11)
H30A—C30A—C31A—C32A	−179.3 (10)	H30B—C30B—C31B—C32B	176.6 (12)
C29A—C30A—C31A—C32A	3 (2)	C29B—C30B—C31B—C32B	−8 (3)
H31A—C31A—C32A—H32A	0.6 (9)	H31B—C31B—C32B—H32B	−3.5 (12)
C30A—C31A—C32A—H32A	178.3 (11)	C30B—C31B—C32B—H32B	−178.1 (12)
H31A—C31A—C32A—C33A	−179.9 (8)	H31B—C31B—C32B—C33B	−177.4 (12)
C30A—C31A—C32A—C33A	−2 (2)	C30B—C31B—C32B—C33B	8 (3)
H32A—C32A—C33A—H33A	0.1 (8)	H32B—C32B—C33B—H33B	2.6 (11)
C31A—C32A—C33A—H33A	−179.4 (9)	C31B—C32B—C33B—H33B	176.3 (13)
H32A—C32A—C33A—C28A	−178.9 (8)	H32B—C32B—C33B—C28B	−177.6 (9)
C31A—C32A—C33A—C28A	1.6 (18)	C31B—C32B—C33B—C28B	−4 (3)
C29A—C28A—C33A—H33A	178.9 (8)	C29B—C28B—C33B—H33B	178.9 (7)
P1A—C28A—C33A—H33A	7.8 (10)	P1B—C28B—C33B—H33B	4.7 (12)
C29A—C28A—C33A—C32A	−2.0 (17)	C29B—C28B—C33B—C32B	−1 (2)
P1A—C28A—C33A—C32A	−173.1 (9)	P1B—C28B—C33B—C32B	−175.1 (12)

Symmetry codes: (i) −x+1, y, −z; (ii) −x, y, −z+1.