[Hydroxy­tris­(penta­fluoro­phenyl)­borato-O][N-iso­propyl-2-(iso­propyl­amino)­troponiminato-N]­methyl­indium(III)

The title complex, [In(CH₃)(C₁₈HBF₁₅O)(C₁₃H₁₉N₂)], crystallizes as an ion pair linked by a [mu]-hydro­xo bridge. There are two independent mol­ecules in the asymmetric unit that exhibit essentially identical metric parameters, but different conformations.

S1. Comment

Cationic group 13 complexes have been investigated because of their potential applications as catalysts for olefin polymerization, alkyne oligomerization and other reactions, and as general Lewis-acid catalysts (Bochmann & Dawson, 1996; Coles & Jordan, 1997; Atwood, 1998; Korolev et al., 1999; Radzewich et al., 1999; Dagorne et al., 2000). In the course of our studies of cationic indium complexes containing N,N'-diisopropylaminotroponiminate (ⁱPr₂—ATI) ligands (Delpech et al., 2000), we isolated and structurally characterized the title compound, (I).

The molecular structure of (I) consists of an ion pair in which the {ⁱPr₂—ATI}In(Me)⁺ cation is associated with the B(C₆F₅)₃(OH)⁻ anion through an In—O(H)—B bridge. The asymmetric unit of (I) contains two independent molecules with statistically equivalent metrical parameters but different conformations. The molecules differ in the positions of the methyl substituents of the isopropyl groups at atoms N2 and N2A, and in the conformation of the In—O(H)—B(C₆F₅)₃ unit. The latter difference is best illustrated by the torsion angles for the two molecules: B1—O1—In1—C8 42.3 (3)° and B2—O2—In2—C8A 27.8 (3)°. In the following discussion, the bond lengths and angles of (I) are reported as average values for the two molecules.

The In atom possesses a severely distorted tetrahedral geometry. The N—In—N bite angle [77.92 (6)°] is in the expected range for ⁱPr₂—ATI complexes (Korolev et al., 1999; Ihara et al., 1998). The O—In—N [average 104 (2)°] and O—In—C angles [average 105.6 (2)°] are similar, while the C—In—N angles are larger [average 130 (1)°]. The In—C [2.114 (3) Å] and In—N [2.103 (6) Å] bond lengths, and the N—In—N bite angle in (I) are similar to those in the closely related complex [{ⁱPr₂—ATI}In(Me)(NMe₂Ph)]⁺ [In—C 2.121 (2) Å; In—N(ATI) average 2.108 (4) Å; N—In—N 78.18 (6)°; Delpech et al., 2000]. The In—O bond length [2.186 (9) Å] in (I) is similar to the In—µ-OH distances in [{InC(SiMe₃)₃}₄(µ₄-O)(µ-OH)₆] [2.17 (2) Å; Al-Juaid et al., 1986].

The five- and seven-membered ring of the {^IPr₂—ATI}In units are planar to within 0.08 Å in the In1 molecule and to within 0.01 Å in the In2 molecule. The isopropyl groups adopt orientations that minimize steric interactions with the closest H atoms on the seven-membered rings; consequently, the methyl groups point toward the In centre. The isopropyl group on atom N2 (but not N2A in the second molecule) is disordered over two positions in a 72/28 ratio and was refined isotropically with an idealized geometry. The C—N bond distances in the InN₂C₂ chelate ring of (I) [average 1.339 (6) Å] are intermediate between the normal C_sp²—N single-bond (1.47 Å) and C═N double-bond distances (1.27 Å), which is consistent with significant delocalization of the π-electrons within the ATI unit, as observed in related compounds (Ihara et al., 1998; Korolev et al., 1999).

The [B(C₆F₅)₃(OH)]⁻ anion exhibits a slightly distorted tetrahedral geometry. The B—O bond distance [1.532 (4) Å] is similar to the B—O bond lengths in related compounds, e.g.[(C₅Me₅)₂Ta(OH)Me][B(C₆F₅)₃OH] [1.490 (10) Å; Schaefer et al., 1993], V{OB(C₆F₅)₃}(acac)₂ [1.527 (2) Å], MoO{OB(C₆F₅)₃}(acac)₂ [1.521 (3) Å], Ti{OB(C₆F₅)₃}(acac)₂ [1.496 (3) Å; Galsworthy et al., 1997], and the aqua adduct B(C₆F₅)₃(H₂O)-dioxane [1.565 (3) Å; Janiak et al., 1998].

S2. Experimental

A solution of [{^IPr)₂—ATI}In(Me)(Nme₂Ph)][MeB(C₆F₅)₃] in C₆D₅Cl was exposed to air. Hexane was added and the mixture was maintained at 296 K whereupon yellow crystals of (I) formed.

S3. Refinement

The disordered C12, C13, C14, C12', C13' and C14' atoms were refined isotropically. Some restraints were used to ensure the disordered isopropyl groups have idealized geometries.

Computing details

Data collection: SMART (Bruker, 1997); cell refinement: SMART; data reduction: SAINT (Bruker, 1997); program(s) used to solve structure: SHELXTL; program(s) used to refine structure: SHELXTL; software used to prepare material for publication: SHELXTL.

(I)

Crystal data

[In(CH3)(C18HBF15O)(C13H19N2)]	F(000) = 3408
Mr = 862.15	Dx = 1.761 Mg m^−3
Monoclinic, P21/c	Mo Kα radiation, λ = 0.71073 Å
a = 19.6683 (16) Å	Cell parameters from 6872 reflections
b = 18.7739 (16) Å	θ = 2–27°
c = 19.8049 (17) Å	µ = 0.84 mm^−1
β = 117.201 (1)°	T = 183 K
V = 6504.2 (9) Å^3	Block, yellow
Z = 8	0.43 × 0.40 × 0.36 mm

Data collection

Bruker CCD-1000 area-detector diffractometer	13220 independent reflections
Radiation source: fine-focus sealed tube	9101 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.029
ω scans	θmax = 26.4°, θmin = 2.1°
Absorption correction: empirical (using intensity measurements) (SADABS; Blessing, 1995)	h = −24→21
Tmin = 0.713, Tmax = 0.751	k = 0→23
41003 measured reflections	l = 0→24

Refinement

Refinement on F^2	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F^2 > 2σ(F^2)] = 0.031	Hydrogen site location: inferred from neighbouring sites
wR(F^2) = 0.075	H-atom parameters constrained
S = 0.97	w = 1/[σ^2(Fo^2) + (0.035P)^2] where P = (Fo^2 + 2Fc^2)/3
13220 reflections	(Δ/σ)max = 0.002
947 parameters	Δρmax = 0.68 e Å^−3
12 restraints	Δρmin = −0.68 e Å^−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	Occ. (<1)
In1	1.015483 (11)	0.713348 (10)	0.998920 (11)	0.02628 (6)
In2	0.503805 (10)	0.788991 (10)	−0.020258 (10)	0.02637 (6)
N1	0.94431 (12)	0.79470 (11)	0.93008 (11)	0.0260 (5)
N2	1.03891 (13)	0.79699 (11)	1.07708 (12)	0.0316 (6)
N1A	0.44661 (13)	0.70280 (11)	−0.09124 (13)	0.0309 (5)
N2A	0.50530 (13)	0.71288 (13)	0.05795 (13)	0.0354 (6)
F17	0.75550 (10)	0.72086 (9)	0.86816 (9)	0.0429 (4)
F18	0.70583 (10)	0.85268 (9)	0.86512 (10)	0.0535 (5)
F19	0.74885 (9)	0.92815 (9)	0.99503 (10)	0.0459 (5)
F20	0.84702 (10)	0.86762 (8)	1.13070 (9)	0.0457 (4)
F21	0.89841 (9)	0.73727 (8)	1.13543 (8)	0.0371 (4)
F23	0.75303 (9)	0.66180 (9)	1.08501 (9)	0.0422 (4)
F24	0.75438 (10)	0.58948 (9)	1.20039 (10)	0.0456 (5)
F25	0.84978 (10)	0.47772 (9)	1.26216 (9)	0.0435 (4)
F26	0.95128 (10)	0.44280 (9)	1.20889 (9)	0.0443 (4)
F27	0.95798 (9)	0.51869 (8)	1.09892 (9)	0.0384 (4)
F29	0.69226 (10)	0.62495 (11)	0.92732 (10)	0.0538 (5)
F30	0.61251 (12)	0.53756 (13)	0.81295 (11)	0.0820 (8)
F31	0.68487 (14)	0.43811 (11)	0.76838 (11)	0.0833 (8)
F32	0.84105 (14)	0.43371 (10)	0.83893 (10)	0.0721 (7)
F33	0.92185 (11)	0.52825 (10)	0.94318 (10)	0.0522 (5)
F17A	0.36499 (9)	0.77753 (8)	0.11615 (8)	0.0394 (4)
F18A	0.31450 (10)	0.64638 (9)	0.11086 (10)	0.0490 (5)
F19A	0.24213 (9)	0.57539 (9)	−0.02309 (10)	0.0459 (5)
F20A	0.22260 (10)	0.64096 (9)	−0.15385 (9)	0.0469 (5)
F21A	0.27231 (9)	0.77336 (8)	−0.15037 (8)	0.0369 (4)
F23A	0.16799 (8)	0.84428 (8)	−0.10584 (9)	0.0351 (4)
F24A	0.06910 (8)	0.92511 (9)	−0.21657 (9)	0.0398 (4)
F25A	0.11547 (9)	1.04498 (8)	−0.26084 (9)	0.0428 (4)
F26A	0.26676 (10)	1.08054 (8)	−0.19236 (9)	0.0441 (4)
F27A	0.36855 (9)	0.99725 (8)	−0.08597 (9)	0.0374 (4)
F29A	0.25001 (9)	0.88008 (10)	0.05777 (9)	0.0448 (5)
F30A	0.28097 (13)	0.95339 (13)	0.18408 (11)	0.0785 (7)
F31A	0.40747 (14)	1.03719 (11)	0.24812 (11)	0.0932 (9)
F32A	0.50439 (12)	1.04275 (10)	0.18476 (11)	0.0815 (8)
F33A	0.48049 (10)	0.96421 (10)	0.06563 (10)	0.0544 (5)
B1	0.85937 (17)	0.63728 (16)	1.01283 (17)	0.0247 (7)
B2	0.34232 (17)	0.86802 (17)	−0.02158 (17)	0.0257 (7)
C1	1.08842 (18)	0.64352 (16)	0.9786 (2)	0.0500 (9)
H1A	1.0609	0.5995	0.9556	0.075*
H1B	1.1332	0.6324	1.0268	0.075*
H1C	1.1050	0.6663	0.9442	0.075*
C2	0.90591 (17)	0.78923 (15)	0.84605 (15)	0.0344 (7)
H2	0.8545	0.8123	0.8255	0.041*
C3	0.89599 (19)	0.71101 (16)	0.82333 (17)	0.0474 (8)
H3A	0.9463	0.6892	0.8395	0.071*
H3B	0.8662	0.7071	0.7681	0.071*
H3C	0.8691	0.6864	0.8478	0.071*
C4	0.95367 (18)	0.82756 (17)	0.81453 (16)	0.0443 (8)
H4A	0.9601	0.8776	0.8304	0.067*
H4B	0.9277	0.8249	0.7590	0.067*
H4C	1.0039	0.8048	0.8339	0.067*
C5	0.94310 (14)	0.85442 (13)	0.96655 (14)	0.0241 (6)
C6	0.89955 (16)	0.91399 (15)	0.92702 (16)	0.0341 (7)
H6	0.8741	0.9075	0.8735	0.041*
C7	0.88599 (17)	0.98002 (15)	0.94971 (18)	0.0400 (8)
H7	0.8550	1.0112	0.9096	0.048*
C8	0.91096 (18)	1.00737 (16)	1.0224 (2)	0.0448 (8)
H8	0.8939	1.0537	1.0267	0.054*
C9	0.95805 (17)	0.97308 (17)	1.08820 (19)	0.0435 (8)
H9	0.9682	0.9985	1.1333	0.052*
C10	0.99322 (16)	0.90751 (15)	1.09962 (16)	0.0347 (7)
H10	1.0239	0.8964	1.1517	0.042*
C11	0.99308 (15)	0.85364 (14)	1.05024 (14)	0.0249 (6)
C12	1.1035 (2)	0.7939 (2)	1.1546 (3)	0.0336 (9)*	0.725 (5)
H12	1.1180	0.8436	1.1740	0.040*	0.725 (5)
C13	1.17198 (15)	0.7582 (2)	1.1535 (2)	0.0487 (13)*	0.725 (5)
H13A	1.1592	0.7088	1.1365	0.073*	0.725 (5)
H13B	1.2150	0.7590	1.2048	0.073*	0.725 (5)
H13C	1.1861	0.7838	1.1187	0.073*	0.725 (5)
C14	1.0798 (2)	0.7540 (2)	1.20698 (18)	0.0492 (13)*	0.725 (5)
H14A	1.0384	0.7798	1.2106	0.074*	0.725 (5)
H14B	1.1236	0.7502	1.2575	0.074*	0.725 (5)
H14C	1.0622	0.7062	1.1867	0.074*	0.725 (5)
C12'	1.0918 (4)	0.7917 (4)	1.1612 (8)	0.0336 (9)*	0.28
H12'	1.0731	0.8229	1.1902	0.040*	0.275 (5)
C13'	1.1710 (3)	0.8150 (6)	1.1748 (5)	0.068 (5)*	0.275 (5)
H13A'	1.2047	0.8182	1.2296	0.102*	0.275 (5)
H13B'	1.1677	0.8618	1.1515	0.102*	0.275 (5)
H13C'	1.1917	0.7802	1.1522	0.102*	0.275 (5)
C14'	1.0942 (5)	0.7147 (4)	1.1852 (4)	0.043 (3)*	0.275 (5)
H14A'	1.1015	0.6836	1.1492	0.064*	0.275 (5)
H14B'	1.0460	0.7025	1.1858	0.064*	0.275 (5)
H14C'	1.1367	0.7080	1.2361	0.064*	0.275 (5)
O1	0.94247 (10)	0.64450 (9)	1.02783 (11)	0.0327 (5)
H1	0.9721	0.6071	1.0601	0.039*
C16	0.82819 (14)	0.71965 (13)	1.00285 (14)	0.0233 (6)
C17	0.77945 (15)	0.75401 (15)	0.93597 (15)	0.0295 (6)
C18	0.75324 (16)	0.82310 (15)	0.93266 (16)	0.0337 (7)
C19	0.77499 (16)	0.86147 (15)	0.99776 (18)	0.0335 (7)
C20	0.82436 (16)	0.83115 (14)	1.06563 (16)	0.0297 (7)
C21	0.84990 (15)	0.76284 (14)	1.06632 (15)	0.0256 (6)
C22	0.85657 (14)	0.59546 (13)	1.08566 (14)	0.0243 (6)
C23	0.80485 (15)	0.60832 (14)	1.11389 (15)	0.0281 (6)
C24	0.80263 (16)	0.57087 (15)	1.17254 (15)	0.0310 (7)
C25	0.85177 (16)	0.51507 (14)	1.20476 (15)	0.0298 (7)
C26	0.90341 (16)	0.49829 (14)	1.17860 (15)	0.0295 (7)
C27	0.90459 (15)	0.53840 (14)	1.12137 (15)	0.0281 (6)
C28	0.81163 (17)	0.58405 (14)	0.94012 (15)	0.0307 (7)
C29	0.73233 (19)	0.58054 (17)	0.90506 (16)	0.0403 (8)
C30	0.6898 (2)	0.5341 (2)	0.84715 (18)	0.0519 (10)
C31	0.7258 (3)	0.48501 (18)	0.82441 (18)	0.0555 (11)
C32	0.8037 (2)	0.48348 (16)	0.85843 (18)	0.0490 (10)
C33	0.84481 (19)	0.53313 (15)	0.91387 (16)	0.0374 (7)
C1A	0.59333 (17)	0.85308 (17)	−0.01762 (19)	0.0478 (9)
H1A1	0.6410	0.8413	0.0275	0.072*
H1A2	0.5810	0.9034	−0.0159	0.072*
H1A3	0.5995	0.8442	−0.0633	0.072*
C2A	0.42191 (17)	0.70482 (16)	−0.17387 (16)	0.0391 (8)
H2A	0.3701	0.6825	−0.2007	0.047*
C3A	0.4158 (2)	0.78161 (17)	−0.19937 (17)	0.0549 (10)
H3A1	0.3832	0.8080	−0.1827	0.082*
H3A2	0.3935	0.7834	−0.2549	0.082*
H3A3	0.4669	0.8031	−0.1771	0.082*
C4A	0.47710 (19)	0.66245 (18)	−0.19317 (18)	0.0525 (9)
H4A1	0.5278	0.6845	−0.1685	0.079*
H4A2	0.4585	0.6623	−0.2483	0.079*
H4A3	0.4803	0.6134	−0.1751	0.079*
C5A	0.43756 (15)	0.64506 (15)	−0.05633 (17)	0.0328 (7)
C6A	0.39909 (17)	0.58470 (16)	−0.0982 (2)	0.0484 (9)
H6A	0.3813	0.5900	−0.1513	0.058*
C7A	0.3818 (2)	0.51926 (19)	−0.0782 (3)	0.0663 (12)
H7A	0.3548	0.4876	−0.1193	0.080*
C8A	0.3977 (2)	0.4928 (2)	−0.0073 (3)	0.0780 (15)
H8A	0.3802	0.4460	−0.0053	0.094*
C9A	0.4362 (2)	0.5279 (2)	0.0598 (3)	0.0669 (12)
H9A	0.4425	0.5017	0.1033	0.080*
C10A	0.46760 (18)	0.59520 (18)	0.0748 (2)	0.0512 (9)
H10A	0.4918	0.6069	0.1272	0.061*
C11A	0.47108 (16)	0.65052 (15)	0.02774 (18)	0.0358 (7)
C12A	0.5463 (2)	0.72546 (18)	0.14084 (18)	0.0509 (9)
H12A	0.5163	0.7042	0.1651	0.061*
C13A	0.6231 (2)	0.6913 (2)	0.1732 (2)	0.0728 (12)
H13D	0.6176	0.6412	0.1574	0.109*
H13E	0.6471	0.6940	0.2287	0.109*
H13F	0.6552	0.7161	0.1546	0.109*
C14A	0.5545 (2)	0.80542 (19)	0.15616 (19)	0.0639 (11)
H14D	0.5893	0.8255	0.1382	0.096*
H14E	0.5751	0.8140	0.2108	0.096*
H14F	0.5043	0.8282	0.1293	0.096*
O2	0.41122 (10)	0.86235 (10)	−0.03770 (10)	0.0312 (4)
H2B	0.4148	0.9038	−0.0634	0.037*
C16A	0.31798 (14)	0.78511 (14)	−0.01792 (14)	0.0240 (6)
C17A	0.32803 (15)	0.74761 (15)	0.04655 (15)	0.0282 (6)
C18A	0.30290 (16)	0.67879 (15)	0.04564 (16)	0.0324 (7)
C19A	0.26658 (15)	0.64271 (14)	−0.02173 (17)	0.0329 (7)
C20A	0.25722 (15)	0.67559 (15)	−0.08724 (16)	0.0315 (7)
C21A	0.28300 (15)	0.74457 (15)	−0.08379 (15)	0.0281 (6)
C22A	0.27488 (15)	0.91480 (14)	−0.09045 (14)	0.0247 (6)
C23A	0.19674 (15)	0.90144 (14)	−0.12596 (15)	0.0267 (6)
C24A	0.14377 (15)	0.94359 (15)	−0.18290 (15)	0.0301 (7)
C25A	0.16643 (17)	1.00371 (14)	−0.20571 (15)	0.0306 (7)
C26A	0.24251 (17)	1.02106 (14)	−0.17188 (15)	0.0303 (7)
C27A	0.29348 (15)	0.97680 (14)	−0.11649 (15)	0.0269 (6)
C28A	0.36475 (15)	0.91514 (14)	0.05644 (15)	0.0289 (7)
C29A	0.31556 (17)	0.91811 (16)	0.08914 (16)	0.0362 (7)
C30A	0.3296 (2)	0.95711 (18)	0.15283 (17)	0.0490 (9)
C31A	0.3938 (3)	0.99832 (18)	0.18568 (18)	0.0602 (11)
C32A	0.4425 (2)	1.00036 (16)	0.15477 (19)	0.0535 (10)
C33A	0.42794 (18)	0.95910 (15)	0.09173 (17)	0.0400 (8)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
In1	0.02925 (11)	0.02114 (10)	0.02950 (11)	0.00057 (9)	0.01434 (9)	−0.00002 (8)
In2	0.02644 (11)	0.02568 (11)	0.02755 (11)	−0.00003 (9)	0.01284 (9)	0.00087 (8)
N1	0.0312 (13)	0.0253 (12)	0.0209 (11)	−0.0019 (10)	0.0115 (10)	−0.0015 (9)
N2	0.0408 (14)	0.0230 (13)	0.0226 (12)	0.0019 (11)	0.0073 (11)	−0.0002 (10)
N1A	0.0307 (13)	0.0272 (13)	0.0338 (13)	0.0008 (11)	0.0138 (11)	−0.0010 (10)
N2A	0.0396 (14)	0.0381 (14)	0.0302 (13)	0.0027 (13)	0.0174 (12)	0.0083 (11)
F17	0.0525 (11)	0.0424 (10)	0.0246 (9)	0.0084 (9)	0.0097 (8)	0.0004 (7)
F18	0.0567 (12)	0.0469 (12)	0.0425 (11)	0.0206 (9)	0.0102 (9)	0.0174 (9)
F19	0.0465 (11)	0.0255 (9)	0.0730 (13)	0.0100 (8)	0.0335 (10)	0.0047 (8)
F20	0.0654 (12)	0.0311 (9)	0.0468 (11)	−0.0032 (9)	0.0312 (10)	−0.0130 (8)
F21	0.0460 (10)	0.0314 (9)	0.0253 (9)	0.0013 (8)	0.0089 (8)	0.0002 (7)
F23	0.0371 (10)	0.0463 (11)	0.0528 (11)	0.0157 (8)	0.0290 (9)	0.0171 (9)
F24	0.0459 (11)	0.0547 (12)	0.0496 (11)	0.0039 (9)	0.0333 (9)	0.0056 (9)
F25	0.0565 (12)	0.0452 (11)	0.0310 (9)	−0.0037 (9)	0.0219 (9)	0.0093 (8)
F26	0.0551 (11)	0.0364 (10)	0.0415 (10)	0.0153 (9)	0.0221 (9)	0.0151 (8)
F27	0.0462 (10)	0.0344 (9)	0.0434 (10)	0.0139 (8)	0.0280 (9)	0.0085 (8)
F29	0.0365 (10)	0.0761 (14)	0.0534 (12)	−0.0148 (10)	0.0246 (10)	−0.0232 (10)
F30	0.0628 (15)	0.129 (2)	0.0537 (13)	−0.0581 (14)	0.0261 (12)	−0.0366 (13)
F31	0.144 (2)	0.0671 (14)	0.0480 (12)	−0.0637 (15)	0.0517 (14)	−0.0328 (11)
F32	0.148 (2)	0.0354 (11)	0.0477 (12)	0.0111 (12)	0.0580 (14)	−0.0028 (9)
F33	0.0684 (14)	0.0500 (12)	0.0420 (11)	0.0255 (10)	0.0286 (10)	−0.0003 (9)
F17A	0.0513 (11)	0.0344 (10)	0.0249 (9)	−0.0029 (8)	0.0108 (8)	−0.0001 (7)
F18A	0.0677 (13)	0.0374 (10)	0.0479 (11)	−0.0026 (9)	0.0316 (10)	0.0116 (8)
F19A	0.0408 (10)	0.0251 (9)	0.0727 (13)	−0.0080 (8)	0.0269 (10)	−0.0028 (8)
F20A	0.0460 (11)	0.0348 (10)	0.0455 (11)	−0.0072 (8)	0.0085 (9)	−0.0170 (8)
F21A	0.0443 (10)	0.0357 (10)	0.0253 (9)	−0.0015 (8)	0.0113 (8)	−0.0039 (7)
F23A	0.0252 (9)	0.0355 (9)	0.0419 (10)	−0.0017 (7)	0.0130 (8)	0.0067 (7)
F24A	0.0250 (9)	0.0433 (10)	0.0413 (10)	0.0045 (8)	0.0066 (8)	−0.0001 (8)
F25A	0.0467 (11)	0.0365 (10)	0.0340 (10)	0.0145 (8)	0.0088 (8)	0.0071 (8)
F26A	0.0554 (11)	0.0309 (10)	0.0463 (11)	−0.0004 (9)	0.0235 (9)	0.0093 (8)
F27A	0.0309 (9)	0.0302 (9)	0.0463 (10)	−0.0062 (7)	0.0135 (8)	0.0021 (7)
F29A	0.0380 (10)	0.0598 (12)	0.0418 (10)	0.0067 (9)	0.0227 (9)	−0.0023 (9)
F30A	0.0909 (17)	0.1073 (19)	0.0421 (12)	0.0462 (14)	0.0345 (12)	−0.0020 (12)
F31A	0.135 (2)	0.0691 (15)	0.0336 (11)	0.0341 (15)	0.0020 (13)	−0.0234 (10)
F32A	0.0833 (15)	0.0439 (12)	0.0548 (13)	−0.0184 (12)	−0.0224 (12)	−0.0082 (10)
F33A	0.0373 (11)	0.0505 (12)	0.0585 (12)	−0.0178 (9)	0.0073 (10)	−0.0028 (9)
B1	0.0249 (17)	0.0236 (16)	0.0276 (17)	0.0025 (14)	0.0137 (14)	0.0018 (13)
B2	0.0223 (16)	0.0272 (17)	0.0258 (17)	−0.0027 (14)	0.0096 (14)	−0.0031 (13)
C1	0.047 (2)	0.041 (2)	0.075 (2)	0.0101 (16)	0.0392 (19)	0.0031 (17)
C2	0.0405 (17)	0.0366 (17)	0.0229 (14)	0.0045 (15)	0.0117 (13)	0.0008 (13)
C3	0.058 (2)	0.0451 (19)	0.0314 (17)	−0.0066 (17)	0.0140 (16)	−0.0118 (15)
C4	0.059 (2)	0.048 (2)	0.0282 (17)	0.0031 (17)	0.0215 (16)	0.0034 (14)
C5	0.0251 (15)	0.0244 (14)	0.0263 (15)	−0.0032 (12)	0.0149 (12)	0.0023 (11)
C6	0.0349 (17)	0.0331 (17)	0.0368 (17)	0.0034 (14)	0.0186 (14)	0.0059 (13)
C7	0.0408 (19)	0.0280 (16)	0.058 (2)	0.0087 (15)	0.0284 (17)	0.0115 (15)
C8	0.043 (2)	0.0267 (17)	0.075 (3)	0.0031 (15)	0.036 (2)	−0.0067 (16)
C9	0.0420 (19)	0.0368 (18)	0.056 (2)	−0.0056 (16)	0.0258 (17)	−0.0216 (16)
C10	0.0350 (17)	0.0339 (17)	0.0356 (17)	−0.0052 (14)	0.0165 (14)	−0.0090 (13)
C11	0.0269 (15)	0.0247 (15)	0.0274 (15)	−0.0067 (12)	0.0161 (13)	−0.0016 (11)
O1	0.0291 (11)	0.0262 (10)	0.0470 (12)	0.0052 (9)	0.0209 (10)	0.0104 (9)
C16	0.0213 (13)	0.0234 (14)	0.0264 (14)	0.0006 (12)	0.0120 (12)	0.0025 (11)
C17	0.0308 (16)	0.0316 (16)	0.0274 (16)	−0.0011 (13)	0.0145 (13)	−0.0003 (12)
C18	0.0294 (16)	0.0315 (17)	0.0381 (17)	0.0072 (13)	0.0136 (14)	0.0115 (13)
C19	0.0315 (17)	0.0220 (15)	0.056 (2)	0.0033 (13)	0.0276 (16)	0.0041 (14)
C20	0.0340 (17)	0.0271 (15)	0.0349 (17)	−0.0040 (13)	0.0216 (14)	−0.0051 (12)
C21	0.0259 (15)	0.0246 (14)	0.0277 (15)	0.0004 (12)	0.0135 (13)	0.0039 (11)
C22	0.0227 (14)	0.0226 (14)	0.0247 (14)	−0.0038 (12)	0.0082 (12)	−0.0030 (11)
C23	0.0234 (15)	0.0255 (15)	0.0313 (16)	0.0012 (12)	0.0088 (13)	0.0031 (12)
C24	0.0285 (16)	0.0386 (17)	0.0300 (16)	−0.0064 (14)	0.0170 (13)	−0.0034 (13)
C25	0.0355 (17)	0.0275 (15)	0.0229 (15)	−0.0084 (13)	0.0102 (13)	0.0013 (12)
C26	0.0332 (17)	0.0222 (14)	0.0269 (15)	0.0011 (12)	0.0084 (13)	0.0016 (12)
C27	0.0291 (16)	0.0244 (15)	0.0302 (16)	−0.0018 (12)	0.0132 (13)	−0.0021 (12)
C28	0.0457 (19)	0.0230 (15)	0.0272 (15)	−0.0029 (13)	0.0201 (14)	0.0011 (12)
C29	0.051 (2)	0.0424 (19)	0.0343 (18)	−0.0165 (16)	0.0255 (16)	−0.0089 (14)
C30	0.059 (2)	0.065 (2)	0.0359 (19)	−0.035 (2)	0.0255 (18)	−0.0132 (17)
C31	0.097 (3)	0.043 (2)	0.0337 (19)	−0.037 (2)	0.037 (2)	−0.0135 (16)
C32	0.102 (3)	0.0260 (17)	0.0321 (18)	−0.0001 (19)	0.042 (2)	−0.0004 (13)
C33	0.056 (2)	0.0304 (17)	0.0304 (17)	0.0027 (15)	0.0242 (16)	0.0049 (13)
C1A	0.0393 (19)	0.045 (2)	0.067 (2)	−0.0088 (16)	0.0315 (18)	0.0000 (17)
C2A	0.0402 (18)	0.0375 (18)	0.0308 (16)	0.0016 (15)	0.0087 (14)	−0.0102 (13)
C3A	0.080 (3)	0.052 (2)	0.0261 (17)	0.009 (2)	0.0178 (18)	0.0044 (15)
C4A	0.059 (2)	0.060 (2)	0.043 (2)	0.0105 (19)	0.0270 (18)	−0.0060 (17)
C5A	0.0253 (16)	0.0251 (15)	0.0504 (19)	0.0057 (13)	0.0195 (15)	0.0009 (13)
C6A	0.0354 (19)	0.0325 (18)	0.079 (3)	−0.0014 (15)	0.0278 (18)	−0.0078 (17)
C7A	0.044 (2)	0.031 (2)	0.131 (4)	−0.0059 (17)	0.046 (3)	−0.012 (2)
C8A	0.053 (3)	0.029 (2)	0.173 (5)	0.0065 (19)	0.070 (3)	0.021 (3)
C9A	0.057 (3)	0.043 (2)	0.122 (4)	0.017 (2)	0.059 (3)	0.042 (2)
C10A	0.048 (2)	0.045 (2)	0.073 (2)	0.0175 (17)	0.0381 (19)	0.0258 (18)
C11A	0.0286 (16)	0.0316 (17)	0.054 (2)	0.0106 (14)	0.0250 (15)	0.0131 (14)
C12A	0.057 (2)	0.055 (2)	0.0355 (19)	0.0112 (18)	0.0163 (17)	0.0138 (16)
C13A	0.065 (3)	0.097 (3)	0.051 (2)	0.034 (2)	0.022 (2)	0.012 (2)
C14A	0.066 (3)	0.076 (3)	0.040 (2)	0.014 (2)	0.0160 (19)	−0.0049 (18)
O2	0.0274 (10)	0.0280 (10)	0.0425 (12)	0.0020 (9)	0.0198 (9)	0.0039 (9)
C16A	0.0171 (13)	0.0256 (14)	0.0265 (14)	0.0009 (12)	0.0076 (11)	−0.0026 (12)
C17A	0.0260 (15)	0.0284 (15)	0.0281 (15)	0.0023 (13)	0.0104 (13)	−0.0009 (12)
C18A	0.0329 (17)	0.0293 (16)	0.0374 (17)	0.0040 (13)	0.0179 (14)	0.0059 (13)
C19A	0.0237 (15)	0.0218 (15)	0.054 (2)	0.0001 (12)	0.0185 (15)	−0.0011 (13)
C20A	0.0199 (15)	0.0290 (16)	0.0368 (17)	−0.0023 (13)	0.0054 (13)	−0.0102 (13)
C21A	0.0240 (15)	0.0302 (15)	0.0286 (16)	0.0038 (13)	0.0108 (13)	0.0015 (12)
C22A	0.0253 (15)	0.0254 (14)	0.0234 (14)	0.0026 (12)	0.0110 (12)	−0.0031 (11)
C23A	0.0293 (16)	0.0260 (15)	0.0273 (15)	0.0006 (12)	0.0150 (13)	−0.0008 (11)
C24A	0.0247 (16)	0.0319 (16)	0.0300 (16)	0.0037 (13)	0.0094 (13)	−0.0038 (12)
C25A	0.0366 (18)	0.0269 (15)	0.0245 (15)	0.0098 (13)	0.0106 (14)	−0.0010 (12)
C26A	0.0417 (18)	0.0218 (14)	0.0311 (16)	0.0030 (13)	0.0199 (14)	−0.0003 (12)
C27A	0.0270 (15)	0.0257 (14)	0.0298 (15)	−0.0003 (12)	0.0144 (13)	−0.0044 (12)
C28A	0.0309 (16)	0.0211 (14)	0.0244 (15)	0.0065 (12)	0.0038 (13)	0.0005 (11)
C29A	0.0374 (18)	0.0347 (17)	0.0281 (16)	0.0118 (15)	0.0076 (14)	0.0016 (13)
C30A	0.064 (2)	0.049 (2)	0.0278 (17)	0.0264 (19)	0.0163 (18)	0.0020 (15)
C31A	0.085 (3)	0.039 (2)	0.0259 (18)	0.024 (2)	0.000 (2)	−0.0090 (15)
C32A	0.059 (2)	0.0248 (17)	0.038 (2)	0.0023 (17)	−0.0109 (18)	−0.0008 (14)
C33A	0.0423 (19)	0.0302 (17)	0.0326 (17)	0.0000 (15)	0.0042 (15)	0.0030 (13)

Geometric parameters (Å, º)

In1—N1	2.099 (2)	C5—C11	1.491 (3)
In1—N2	2.103 (2)	C6—C7	1.385 (4)
In1—C1	2.113 (3)	C7—C8	1.390 (4)
In1—O1	2.1938 (17)	C8—C9	1.366 (4)
In2—N2A	2.098 (2)	C9—C10	1.379 (4)
In2—N1A	2.101 (2)	C10—C11	1.406 (4)
In2—C1A	2.113 (3)	C12—C13	1.5118 (19)
In2—O2	2.1811 (17)	C12—C14	1.5160 (19)
N1—C5	1.340 (3)	C12'—C14'	1.516 (2)
N1—C2	1.484 (3)	C12'—C13'	1.518 (2)
N2—C11	1.337 (3)	C16—C17	1.389 (3)
N2—C12	1.480 (5)	C16—C21	1.389 (4)
N2—C12'	1.512 (13)	C17—C18	1.386 (4)
N1A—C5A	1.341 (3)	C18—C19	1.364 (4)
N1A—C2A	1.479 (4)	C19—C20	1.371 (4)
N2A—C11A	1.347 (4)	C20—C21	1.375 (4)
N2A—C12A	1.480 (4)	C22—C23	1.388 (4)
F17—C17	1.354 (3)	C22—C27	1.389 (4)
F18—C18	1.352 (3)	C23—C24	1.376 (4)
F19—C19	1.345 (3)	C24—C25	1.369 (4)
F20—C20	1.343 (3)	C25—C26	1.371 (4)
F21—C21	1.349 (3)	C26—C27	1.370 (4)
F23—C23	1.357 (3)	C28—C33	1.386 (4)
F24—C24	1.344 (3)	C28—C29	1.389 (4)
F25—C25	1.351 (3)	C29—C30	1.378 (4)
F26—C26	1.347 (3)	C30—C31	1.358 (5)
F27—C27	1.366 (3)	C31—C32	1.363 (5)
F29—C29	1.352 (3)	C32—C33	1.385 (4)
F30—C30	1.354 (4)	C2A—C3A	1.514 (4)
F31—C31	1.356 (3)	C2A—C4A	1.528 (4)
F32—C32	1.350 (4)	C5A—C6A	1.404 (4)
F33—C33	1.355 (3)	C5A—C11A	1.488 (4)
F17A—C17A	1.352 (3)	C6A—C7A	1.381 (5)
F18A—C18A	1.349 (3)	C7A—C8A	1.383 (6)
F19A—C19A	1.348 (3)	C8A—C9A	1.361 (6)
F20A—C20A	1.344 (3)	C9A—C10A	1.378 (5)
F21A—C21A	1.350 (3)	C10A—C11A	1.418 (4)
F23A—C23A	1.355 (3)	C12A—C13A	1.490 (4)
F24A—C24A	1.352 (3)	C12A—C14A	1.525 (4)
F25A—C25A	1.340 (3)	C16A—C21A	1.391 (3)
F26A—C26A	1.347 (3)	C16A—C17A	1.391 (4)
F27A—C27A	1.370 (3)	C17A—C18A	1.380 (4)
F29A—C29A	1.351 (3)	C18A—C19A	1.370 (4)
F30A—C30A	1.358 (4)	C19A—C20A	1.371 (4)
F31A—C31A	1.353 (4)	C20A—C21A	1.381 (4)
F32A—C32A	1.344 (4)	C22A—C23A	1.390 (4)
F33A—C33A	1.354 (4)	C22A—C27A	1.388 (4)
B1—O1	1.528 (3)	C23A—C24A	1.382 (4)
B1—C16	1.642 (4)	C24A—C25A	1.364 (4)
B1—C28	1.648 (4)	C25A—C26A	1.370 (4)
B1—C22	1.665 (4)	C26A—C27A	1.376 (4)
B2—O2	1.531 (3)	C28A—C33A	1.386 (4)
B2—C16A	1.640 (4)	C28A—C29A	1.390 (4)
B2—C22A	1.654 (4)	C29A—C30A	1.373 (4)
B2—C28A	1.656 (4)	C30A—C31A	1.366 (5)
C2—C3	1.522 (4)	C31A—C32A	1.353 (5)
C2—C4	1.525 (4)	C32A—C33A	1.383 (4)
C5—C6	1.409 (4)
N1—In1—N2	77.96 (8)	F27—C27—C26	115.3 (2)
N1—In1—C1	129.58 (11)	F27—C27—C22	119.2 (2)
N2—In1—C1	131.59 (12)	C26—C27—C22	125.5 (3)
N1—In1—O1	106.05 (8)	C33—C28—C29	113.2 (3)
N2—In1—O1	101.37 (8)	C33—C28—B1	124.6 (3)
C1—In1—O1	105.45 (10)	C29—C28—B1	121.8 (2)
N2A—In2—N1A	77.99 (9)	F29—C29—C30	116.0 (3)
N2A—In2—C1A	129.74 (11)	F29—C29—C28	119.8 (3)
N1A—In2—C1A	129.81 (11)	C30—C29—C28	124.2 (3)
N2A—In2—O2	106.02 (8)	F30—C30—C31	120.2 (3)
N1A—In2—O2	103.15 (8)	F30—C30—C29	120.1 (3)
C1A—In2—O2	105.68 (10)	C31—C30—C29	119.7 (3)
C5—N1—C2	122.5 (2)	F31—C31—C30	120.5 (4)
C5—N1—In1	115.45 (16)	F31—C31—C32	120.2 (4)
C2—N1—In1	121.64 (17)	C30—C31—C32	119.3 (3)
C11—N2—C12	123.1 (2)	F32—C32—C31	120.6 (3)
C11—N2—C12'	119.3 (4)	F32—C32—C33	119.7 (4)
C12—N2—C12'	12.1 (3)	C31—C32—C33	119.7 (3)
C11—N2—In1	114.85 (17)	F33—C33—C32	115.3 (3)
C12—N2—In1	121.96 (19)	F33—C33—C28	120.8 (3)
C12'—N2—In1	124.8 (4)	C32—C33—C28	123.9 (3)
C5A—N1A—C2A	122.5 (2)	N1A—C2A—C3A	109.2 (2)
C5A—N1A—In2	115.74 (19)	N1A—C2A—C4A	110.6 (2)
C2A—N1A—In2	121.67 (18)	C3A—C2A—C4A	111.7 (3)
C11A—N2A—C12A	122.7 (3)	N1A—C5A—C6A	120.7 (3)
C11A—N2A—In2	115.38 (19)	N1A—C5A—C11A	115.2 (2)
C12A—N2A—In2	121.8 (2)	C6A—C5A—C11A	124.1 (3)
O1—B1—C16	104.3 (2)	C7A—C6A—C5A	133.3 (4)
O1—B1—C28	110.8 (2)	C6A—C7A—C8A	129.8 (4)
C16—B1—C28	115.7 (2)	C9A—C8A—C7A	125.7 (4)
O1—B1—C22	109.2 (2)	C8A—C9A—C10A	130.5 (4)
C16—B1—C22	113.0 (2)	C9A—C10A—C11A	133.0 (4)
C28—B1—C22	103.9 (2)	N2A—C11A—C10A	120.6 (3)
O2—B2—C16A	104.3 (2)	N2A—C11A—C5A	115.7 (2)
O2—B2—C22A	108.5 (2)	C10A—C11A—C5A	123.7 (3)
C16A—B2—C22A	113.6 (2)	N2A—C12A—C13A	109.9 (3)
O2—B2—C28A	110.4 (2)	N2A—C12A—C14A	109.4 (3)
C16A—B2—C28A	115.1 (2)	C13A—C12A—C14A	110.2 (3)
C22A—B2—C28A	104.9 (2)	B2—O2—In2	139.92 (16)
N1—C2—C3	109.2 (2)	C21A—C16A—C17A	112.7 (2)
N1—C2—C4	109.5 (2)	C21A—C16A—B2	120.5 (2)
C3—C2—C4	110.7 (3)	C17A—C16A—B2	126.8 (2)
N1—C5—C6	121.4 (2)	F17A—C17A—C18A	115.1 (2)
N1—C5—C11	115.2 (2)	F17A—C17A—C16A	120.7 (2)
C6—C5—C11	123.4 (2)	C18A—C17A—C16A	124.2 (3)
C7—C6—C5	133.5 (3)	F18A—C18A—C19A	119.6 (3)
C6—C7—C8	129.6 (3)	F18A—C18A—C17A	120.4 (3)
C9—C8—C7	125.3 (3)	C19A—C18A—C17A	120.0 (3)
C8—C9—C10	130.4 (3)	F19A—C19A—C18A	120.3 (3)
C9—C10—C11	133.4 (3)	F19A—C19A—C20A	120.7 (3)
N2—C11—C10	120.6 (2)	C18A—C19A—C20A	118.9 (3)
N2—C11—C5	115.6 (2)	F20A—C20A—C19A	120.0 (3)
C10—C11—C5	123.8 (2)	F20A—C20A—C21A	120.8 (3)
N2—C12—C13	110.6 (3)	C19A—C20A—C21A	119.2 (3)
N2—C12—C14	110.0 (3)	F21A—C21A—C20A	115.9 (2)
C13—C12—C14	110.16 (19)	F21A—C21A—C16A	119.1 (2)
C14'—C12'—C13'	109.7 (2)	C20A—C21A—C16A	124.9 (3)
C14'—C12'—N2	108.4 (7)	C23A—C22A—C27A	112.4 (2)
C13'—C12'—N2	108.0 (7)	C23A—C22A—B2	127.3 (2)
B1—O1—In1	140.47 (16)	C27A—C22A—B2	120.2 (2)
C17—C16—C21	112.6 (2)	F23A—C23A—C24A	115.7 (2)
C17—C16—B1	127.5 (2)	F23A—C23A—C22A	120.5 (2)
C21—C16—B1	119.8 (2)	C24A—C23A—C22A	123.8 (3)
F17—C17—C18	115.5 (2)	F24A—C24A—C25A	119.7 (2)
F17—C17—C16	120.5 (2)	F24A—C24A—C23A	120.0 (3)
C18—C17—C16	124.0 (3)	C25A—C24A—C23A	120.4 (3)
F18—C18—C19	119.7 (3)	F25A—C25A—C24A	120.8 (3)
F18—C18—C17	120.3 (3)	F25A—C25A—C26A	120.2 (3)
C19—C18—C17	120.0 (3)	C24A—C25A—C26A	118.9 (3)
F19—C19—C18	120.3 (3)	F26A—C26A—C25A	120.5 (2)
F19—C19—C20	120.8 (3)	F26A—C26A—C27A	120.7 (3)
C18—C19—C20	118.9 (3)	C25A—C26A—C27A	118.8 (3)
F20—C20—C19	120.3 (3)	F27A—C27A—C26A	115.3 (2)
F20—C20—C21	120.4 (3)	F27A—C27A—C22A	119.0 (2)
C19—C20—C21	119.3 (3)	C26A—C27A—C22A	125.6 (3)
F21—C21—C20	115.3 (2)	C33A—C28A—C29A	113.3 (3)
F21—C21—C16	119.5 (2)	C33A—C28A—B2	125.7 (3)
C20—C21—C16	125.1 (2)	C29A—C28A—B2	120.7 (2)
C23—C22—C27	112.5 (2)	F29A—C29A—C30A	117.0 (3)
C23—C22—B1	126.0 (2)	F29A—C29A—C28A	119.1 (2)
C27—C22—B1	121.4 (2)	C30A—C29A—C28A	124.0 (3)
F23—C23—C24	115.2 (2)	F30A—C30A—C31A	120.2 (3)
F23—C23—C22	120.4 (2)	F30A—C30A—C29A	120.2 (3)
C24—C23—C22	124.3 (3)	C31A—C30A—C29A	119.6 (3)
F24—C24—C25	119.2 (2)	C32A—C31A—F31A	120.9 (4)
F24—C24—C23	121.0 (3)	C32A—C31A—C30A	119.5 (3)
C25—C24—C23	119.8 (3)	F31A—C31A—C30A	119.6 (4)
F25—C25—C24	120.2 (3)	F32A—C32A—C31A	120.1 (3)
F25—C25—C26	120.7 (3)	F32A—C32A—C33A	120.2 (4)
C24—C25—C26	119.1 (3)	C31A—C32A—C33A	119.7 (3)
F26—C26—C27	121.4 (3)	F33A—C33A—C32A	115.2 (3)
F26—C26—C25	119.8 (2)	F33A—C33A—C28A	121.0 (3)
C27—C26—C25	118.8 (3)	C32A—C33A—C28A	123.8 (3)
N2—In1—N1—C5	−4.66 (18)	F29—C29—C30—C31	−176.3 (3)
C1—In1—N1—C5	−139.4 (2)	C28—C29—C30—C31	4.1 (5)
O1—In1—N1—C5	93.87 (19)	F30—C30—C31—F31	−1.3 (5)
N2—In1—N1—C2	168.1 (2)	C29—C30—C31—F31	178.9 (3)
C1—In1—N1—C2	33.3 (3)	F30—C30—C31—C32	178.5 (3)
O1—In1—N1—C2	−93.4 (2)	C29—C30—C31—C32	−1.3 (5)
N1—In1—N2—C11	8.61 (18)	F31—C31—C32—F32	−2.5 (5)
C1—In1—N2—C11	141.6 (2)	C30—C31—C32—F32	177.6 (3)
O1—In1—N2—C11	−95.60 (18)	F31—C31—C32—C33	177.9 (3)
N1—In1—N2—C12	−168.80 (19)	C30—C31—C32—C33	−1.9 (5)
C1—In1—N2—C12	−35.8 (2)	F32—C32—C33—F33	1.8 (4)
O1—In1—N2—C12	86.99 (18)	C31—C32—C33—F33	−178.7 (3)
N1—In1—N2—C12'	177.1 (4)	F32—C32—C33—C28	−176.9 (3)
C1—In1—N2—C12'	−49.9 (4)	C31—C32—C33—C28	2.6 (5)
O1—In1—N2—C12'	72.9 (4)	C29—C28—C33—F33	−178.7 (2)
N2A—In2—N1A—C5A	1.02 (19)	B1—C28—C33—F33	−6.3 (4)
C1A—In2—N1A—C5A	133.4 (2)	C29—C28—C33—C32	−0.1 (4)
O2—In2—N1A—C5A	−102.87 (19)	B1—C28—C33—C32	172.4 (3)
N2A—In2—N1A—C2A	−175.8 (2)	C5A—N1A—C2A—C3A	161.7 (3)
C1A—In2—N1A—C2A	−43.4 (3)	In2—N1A—C2A—C3A	−21.7 (3)
O2—In2—N1A—C2A	80.3 (2)	C5A—N1A—C2A—C4A	−75.0 (3)
N1A—In2—N2A—C11A	−0.6 (2)	In2—N1A—C2A—C4A	101.5 (3)
C1A—In2—N2A—C11A	−133.0 (2)	C2A—N1A—C5A—C6A	−4.3 (4)
O2—In2—N2A—C11A	99.9 (2)	In2—N1A—C5A—C6A	179.0 (2)
N1A—In2—N2A—C12A	175.1 (2)	C2A—N1A—C5A—C11A	175.5 (2)
C1A—In2—N2A—C12A	42.7 (3)	In2—N1A—C5A—C11A	−1.3 (3)
O2—In2—N2A—C12A	−84.5 (2)	N1A—C5A—C6A—C7A	179.8 (3)
C5—N1—C2—C3	−162.2 (3)	C11A—C5A—C6A—C7A	0.1 (5)
In1—N1—C2—C3	25.6 (3)	C5A—C6A—C7A—C8A	0.4 (6)
C5—N1—C2—C4	76.4 (3)	C6A—C7A—C8A—C9A	−0.8 (7)
In1—N1—C2—C4	−95.8 (2)	C7A—C8A—C9A—C10A	0.5 (7)
C2—N1—C5—C6	5.5 (4)	C8A—C9A—C10A—C11A	0.1 (7)
In1—N1—C5—C6	178.12 (19)	C12A—N2A—C11A—C10A	5.2 (4)
C2—N1—C5—C11	−172.2 (2)	In2—N2A—C11A—C10A	−179.2 (2)
In1—N1—C5—C11	0.4 (3)	C12A—N2A—C11A—C5A	−175.5 (3)
N1—C5—C6—C7	177.5 (3)	In2—N2A—C11A—C5A	0.1 (3)
C11—C5—C6—C7	−5.0 (5)	C9A—C10A—C11A—N2A	179.1 (3)
C5—C6—C7—C8	−2.4 (6)	C9A—C10A—C11A—C5A	−0.1 (5)
C6—C7—C8—C9	2.4 (5)	N1A—C5A—C11A—N2A	0.8 (4)
C7—C8—C9—C10	2.2 (6)	C6A—C5A—C11A—N2A	−179.5 (3)
C8—C9—C10—C11	−0.8 (6)	N1A—C5A—C11A—C10A	−179.9 (3)
C12—N2—C11—C10	−14.1 (4)	C6A—C5A—C11A—C10A	−0.2 (4)
C12'—N2—C11—C10	−0.7 (4)	C11A—N2A—C12A—C13A	78.0 (4)
In1—N2—C11—C10	168.5 (2)	In2—N2A—C12A—C13A	−97.3 (3)
C12—N2—C11—C5	166.4 (2)	C11A—N2A—C12A—C14A	−160.9 (3)
C12'—N2—C11—C5	179.8 (3)	In2—N2A—C12A—C14A	23.8 (4)
In1—N2—C11—C5	−11.0 (3)	C16A—B2—O2—In2	−26.9 (3)
C9—C10—C11—N2	173.7 (3)	C22A—B2—O2—In2	−148.32 (18)
C9—C10—C11—C5	−6.8 (5)	C28A—B2—O2—In2	97.3 (3)
N1—C5—C11—N2	7.1 (3)	N2A—In2—O2—B2	−13.1 (3)
C6—C5—C11—N2	−170.5 (2)	N1A—In2—O2—B2	68.0 (3)
N1—C5—C11—C10	−172.4 (3)	C1A—In2—O2—B2	−153.6 (3)
C6—C5—C11—C10	10.0 (4)	O2—B2—C16A—C21A	−72.3 (3)
C11—N2—C12—C13	−139.6 (3)	C22A—B2—C16A—C21A	45.6 (3)
C12'—N2—C12—C13	145 (2)	C28A—B2—C16A—C21A	166.6 (2)
In1—N2—C12—C13	37.6 (3)	O2—B2—C16A—C17A	108.0 (3)
C11—N2—C12—C14	98.5 (4)	C22A—B2—C16A—C17A	−134.0 (3)
C12'—N2—C12—C14	23.3 (18)	C28A—B2—C16A—C17A	−13.1 (4)
In1—N2—C12—C14	−84.3 (3)	C21A—C16A—C17A—F17A	176.3 (2)
C11—N2—C12'—C14'	141.5 (5)	B2—C16A—C17A—F17A	−4.0 (4)
C12—N2—C12'—C14'	−107 (2)	C21A—C16A—C17A—C18A	−3.0 (4)
In1—N2—C12'—C14'	−26.5 (8)	B2—C16A—C17A—C18A	176.6 (3)
C11—N2—C12'—C13'	−99.7 (7)	F17A—C17A—C18A—F18A	1.1 (4)
C12—N2—C12'—C13'	12.1 (17)	C16A—C17A—C18A—F18A	−179.5 (2)
In1—N2—C12'—C13'	92.3 (6)	F17A—C17A—C18A—C19A	−178.2 (2)
C16—B1—O1—In1	−31.8 (3)	C16A—C17A—C18A—C19A	1.2 (4)
C28—B1—O1—In1	93.3 (3)	F18A—C18A—C19A—F19A	0.4 (4)
C22—B1—O1—In1	−152.82 (18)	C17A—C18A—C19A—F19A	179.7 (2)
N1—In1—O1—B1	1.3 (3)	F18A—C18A—C19A—C20A	−178.1 (2)
N2—In1—O1—B1	81.9 (3)	C17A—C18A—C19A—C20A	1.3 (4)
C1—In1—O1—B1	−138.8 (3)	F19A—C19A—C20A—F20A	0.7 (4)
O1—B1—C16—C17	105.4 (3)	C18A—C19A—C20A—F20A	179.2 (2)
C28—B1—C16—C17	−16.6 (4)	F19A—C19A—C20A—C21A	−179.9 (2)
C22—B1—C16—C17	−136.1 (3)	C18A—C19A—C20A—C21A	−1.5 (4)
O1—B1—C16—C21	−75.5 (3)	F20A—C20A—C21A—F21A	−1.1 (4)
C28—B1—C16—C21	162.5 (2)	C19A—C20A—C21A—F21A	179.6 (2)
C22—B1—C16—C21	43.0 (3)	F20A—C20A—C21A—C16A	178.6 (2)
C21—C16—C17—F17	176.9 (2)	C19A—C20A—C21A—C16A	−0.7 (4)
B1—C16—C17—F17	−4.0 (4)	C17A—C16A—C21A—F21A	−177.5 (2)
C21—C16—C17—C18	−1.8 (4)	B2—C16A—C21A—F21A	2.8 (4)
B1—C16—C17—C18	177.3 (3)	C17A—C16A—C21A—C20A	2.8 (4)
F17—C17—C18—F18	1.2 (4)	B2—C16A—C21A—C20A	−176.9 (2)
C16—C17—C18—F18	180.0 (3)	O2—B2—C22A—C23A	138.9 (3)
F17—C17—C18—C19	−179.0 (3)	C16A—B2—C22A—C23A	23.4 (4)
C16—C17—C18—C19	−0.3 (5)	C28A—B2—C22A—C23A	−103.1 (3)
F18—C18—C19—F19	0.7 (4)	O2—B2—C22A—C27A	−44.2 (3)
C17—C18—C19—F19	−179.0 (2)	C16A—B2—C22A—C27A	−159.7 (2)
F18—C18—C19—C20	−178.7 (2)	C28A—B2—C22A—C27A	73.8 (3)
C17—C18—C19—C20	1.6 (4)	C27A—C22A—C23A—F23A	−177.9 (2)
F19—C19—C20—F20	0.5 (4)	B2—C22A—C23A—F23A	−0.8 (4)
C18—C19—C20—F20	179.8 (3)	C27A—C22A—C23A—C24A	2.4 (4)
F19—C19—C20—C21	179.9 (2)	B2—C22A—C23A—C24A	179.4 (3)
C18—C19—C20—C21	−0.7 (4)	F23A—C23A—C24A—F24A	−2.4 (4)
F20—C20—C21—F21	−0.7 (4)	C22A—C23A—C24A—F24A	177.3 (2)
C19—C20—C21—F21	179.8 (2)	F23A—C23A—C24A—C25A	177.9 (2)
F20—C20—C21—C16	177.8 (2)	C22A—C23A—C24A—C25A	−2.4 (4)
C19—C20—C21—C16	−1.7 (4)	F24A—C24A—C25A—F25A	0.4 (4)
C17—C16—C21—F21	−178.8 (2)	C23A—C24A—C25A—F25A	−179.9 (2)
B1—C16—C21—F21	2.1 (4)	F24A—C24A—C25A—C26A	−178.9 (2)
C17—C16—C21—C20	2.8 (4)	C23A—C24A—C25A—C26A	0.8 (4)
B1—C16—C21—C20	−176.3 (3)	F25A—C25A—C26A—F26A	1.5 (4)
O1—B1—C22—C23	145.4 (2)	C24A—C25A—C26A—F26A	−179.2 (2)
C16—B1—C22—C23	29.8 (4)	F25A—C25A—C26A—C27A	−178.8 (2)
C28—B1—C22—C23	−96.3 (3)	C24A—C25A—C26A—C27A	0.6 (4)
O1—B1—C22—C27	−39.7 (3)	F26A—C26A—C27A—F27A	−1.0 (4)
C16—B1—C22—C27	−155.3 (2)	C25A—C26A—C27A—F27A	179.3 (2)
C28—B1—C22—C27	78.6 (3)	F26A—C26A—C27A—C22A	179.3 (2)
C27—C22—C23—F23	−179.4 (2)	C25A—C26A—C27A—C22A	−0.4 (4)
B1—C22—C23—F23	−4.1 (4)	C23A—C22A—C27A—F27A	179.3 (2)
C27—C22—C23—C24	2.3 (4)	B2—C22A—C27A—F27A	2.0 (4)
B1—C22—C23—C24	177.6 (3)	C23A—C22A—C27A—C26A	−1.0 (4)
F23—C23—C24—F24	−3.1 (4)	B2—C22A—C27A—C26A	−178.3 (3)
C22—C23—C24—F24	175.4 (2)	O2—B2—C28A—C33A	16.0 (4)
F23—C23—C24—C25	178.9 (2)	C16A—B2—C28A—C33A	133.7 (3)
C22—C23—C24—C25	−2.7 (4)	C22A—B2—C28A—C33A	−100.7 (3)
F24—C24—C25—F25	2.3 (4)	O2—B2—C28A—C29A	−169.8 (2)
C23—C24—C25—F25	−179.7 (2)	C16A—B2—C28A—C29A	−52.0 (3)
F24—C24—C25—C26	−177.0 (2)	C22A—B2—C28A—C29A	73.6 (3)
C23—C24—C25—C26	1.1 (4)	C33A—C28A—C29A—F29A	177.1 (2)
F25—C25—C26—F26	1.9 (4)	B2—C28A—C29A—F29A	2.1 (4)
C24—C25—C26—F26	−178.9 (2)	C33A—C28A—C29A—C30A	−3.7 (4)
F25—C25—C26—C27	−178.7 (2)	B2—C28A—C29A—C30A	−178.7 (3)
C24—C25—C26—C27	0.6 (4)	F29A—C29A—C30A—F30A	3.6 (4)
F26—C26—C27—F27	−1.0 (4)	C28A—C29A—C30A—F30A	−175.6 (3)
C25—C26—C27—F27	179.5 (2)	F29A—C29A—C30A—C31A	−178.0 (3)
F26—C26—C27—C22	178.6 (2)	C28A—C29A—C30A—C31A	2.8 (5)
C25—C26—C27—C22	−0.9 (4)	F30A—C30A—C31A—C32A	178.7 (3)
C23—C22—C27—F27	179.1 (2)	C29A—C30A—C31A—C32A	0.3 (5)
B1—C22—C27—F27	3.6 (4)	F30A—C30A—C31A—F31A	−2.1 (5)
C23—C22—C27—C26	−0.5 (4)	C29A—C30A—C31A—F31A	179.5 (3)
B1—C22—C27—C26	−176.0 (3)	F31A—C31A—C32A—F32A	−1.8 (5)
O1—B1—C28—C33	22.1 (4)	C30A—C31A—C32A—F32A	177.4 (3)
C16—B1—C28—C33	140.5 (3)	F31A—C31A—C32A—C33A	178.8 (3)
C22—B1—C28—C33	−95.1 (3)	C30A—C31A—C32A—C33A	−1.9 (5)
O1—B1—C28—C29	−166.1 (2)	F32A—C32A—C33A—F33A	1.4 (4)
C16—B1—C28—C29	−47.7 (4)	C31A—C32A—C33A—F33A	−179.2 (3)
C22—B1—C28—C29	76.7 (3)	F32A—C32A—C33A—C28A	−178.6 (3)
C33—C28—C29—F29	177.1 (2)	C31A—C32A—C33A—C28A	0.7 (5)
B1—C28—C29—F29	4.4 (4)	C29A—C28A—C33A—F33A	−178.1 (2)
C33—C28—C29—C30	−3.3 (4)	B2—C28A—C33A—F33A	−3.4 (4)
B1—C28—C29—C30	−176.0 (3)	C29A—C28A—C33A—C32A	2.0 (4)
F29—C29—C30—F30	3.9 (4)	B2—C28A—C33A—C32A	176.6 (3)
C28—C29—C30—F30	−175.7 (3)