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ISSN: 2056-9890

Synthesis and crystal structure of tetra­kis­(perfluoro­benzo­nitrile)­silver(I) tetra­kis­(perfluoro-tert-but­­oxy)aluminate(1−): a perfluorinated silver(I) nitrile cation with a perfluorinated weakly coordinating anion

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aSchool of Chemistry, University of New South Wales, Sydney, NSW 2052, Australia, and bMark Wainwright Analytical Centre, University of New South Wales, Sydney, NSW 2052, Australia
*Correspondence e-mail: [email protected]

Edited by F. Di Salvo, University of Buenos Aires, Argentina (Received 11 August 2026; accepted 18 September 2026; online 30 September 2026)

The title compound, [Ag(C6F5CN)4][Al{OC(CF3)3}4], was obtained by reaction of Ag[Al(OC(CF3)3)4] with excess perfluoro­benzo­nitrile. The crystals belong to the chiral space group P21 with Z′ = 2, containing two independent [Ag(C6F5CN)4]+ cations and two [Al(OC(CF3)3)4]− anions in the asymmetric unit. Each AgI centre is four-coordinate and adopts a distorted tetra­hedral geometry. One of the nitrile ligands in both AgI centres has a noticeably longer Ag—N distance [2.383 (8) and 2.371 (9) Å] and the Ag—N—C angle [148.3 (7) and 148.8 (8)°] deviates significantly from linearity in both of these cases. The other Ag—N distances are between 2.207 (8) and 2.280 (8) Å with Ag—N—C angles between 165.4 (7) and 177.0 (7)°. N—Ag—N angles vary from 94.5 (3) to 120.3 (3)°. In the crystallographic overlay, the two AgI cations appear as approximate non-superimposable mirror images. The arrangement of the cations dominates the crystal packing with the anions occupying the spaces between the cations. There are no short Ag⋯anion contacts. The structure contains numerous short F⋯F contacts, which is unsurprising given the perfluorinated nature of the system, and there is an indication of C—F⋯π type inter­actions. 19F NMR spectra of the complex were consistent with the crystallographically determined structure with four perfluoro­benzo­nitrile ligands.

1. Chemical context

Silver(I) nitrile complexes are well known and are often four-coordinate, with approximately tetra­hedral coordination geometries that are frequently distorted by ligand steric and packing effects. For example, the homoleptic complex [Ag(NCCH3)4]+ has been crystallographically characterized with a range of counter-anions, including the weakly coordinating [B(C6F5)4]− anion (aka [BArF20]−) (CSD refcode EFAQOU; Kim et al., 2017View full citation). The linear two-coordinate arrangement is also common and [Ag(NCCH3)2]+ has been reported with the [B{3,5-(CF3)2C6H3}4]− anion (aka [BArF24]−) (FILTEA; Zhang et al., 2005View full citation).

We were therefore inter­ested in determining whether reaction of AgI with the fluorinated aryl nitrile ligand perfluoro­benzo­nitrile (C6F5CN) would afford either a two or a four-coordinate complex. In addition to its coordination chemistry, C6F5CN offers the possibility of forming a variety of weak inter­actions between the perfluoroaryl rings in the solid state. The weakly coordinating anion [Al(OC(CF3)3)4]− was selected to minimize cation-anion inter­actions, thereby allowing the intrinsic coordination preferences of the AgI centre and the packing behaviour of the fluorinated nitrile ligands to be examined.

[Scheme 1]

2. Structural commentary

The title complex crystallized in the chiral space group P21 with Z′ = 2, containing two independent [Ag(C6F5CN)4]+ cations and two [Al(OC(CF3)3)4]− anions in the asymmetric unit.

Each AgI centre coordinates four C6F5CN ligands and adopts a distorted tetra­hedral geometry. The two cations have similar coordination environments but differ slightly in conformation. In the crystallographic overlay, they appear as approximate non-superimposable mirror images. One Ag—N bond is slightly elongated, i.e., 2.383 (8) Å in mol­ecule A and 2.371 (9) Å in mol­ecule B, and these correspond to a more strongly bent metal-nitrile inter­action [Ag—N—C angle 148.3 (7)° in A, 144.8 (;8)° in B], whereas the remaining three Ag-N distances are shorter [2.207 (8) to 2.280 (8) Å] and have correspondingly less distorted coordination [Ag—N—C angles between 165.4 (7)deg; and 177.0 (7)°]. This raises the possibility that the nitrile ligand with the longer, more bent inter­action is less tightly bound than the other three.

Distortion from tetra­hedral coordination of the nitro­gen donors is moderate, with N—Ag—N angles varying from 94.5 (3) to 120.3 (3)° in mol­ecule A and 98.1 (3) and 119.7 (3)° in mol­ecule B. Coordination geometries of the Ag centre in mol­ecule A and mol­ecule B are given in Fig. 1[link].

[Figure 1]
Figure 1
The two crystallographically independent mol­ecules (a) A and (b) B in the asymmetric unit, with Ag-coordination bond distances indicated on the figure.

There are no observable short contacts between either AgI centre and atoms of the anions.

3. Supra­molecular features

The overlay of complex cations A and B highlights their conformational relationship (Fig. 2[link]a). The packing of mol­ecules (Fig. 2[link]b and Fig. 3[link]) in the crystal is dominated by the arrangement of the complex cations, with the anions occupying the voids between them. The structure also exhibits numerous short F⋯F contacts, which are common in perfluorinated systems and contribute to the packing arrangement. Fig. 2[link]b highlights apparent C—F⋯π inter­actions [C3H—Cg1: C⋯Cg = 3.548 (7) Å, F⋯Cg = 4.809 (10) Å, C—F⋯Cg = 155.6 (5)° and C5D—Cg2: C⋯Cg = 3.527 (7) Å, C—F⋯Cg = 4.771 (10) Å, C—F⋯Cg = 156.3 (5)° where Cg1 and Cg2 are the centroids of the C1C–C6C and C1G–C6G rings, reespectively] that are involved in creating a pseudo-centre of inversion between the two cations.

[Figure 2]
Figure 2
(a) Overlay of the two crystallographically independent cations, showing their approximate non-crystallographic mirror relationship. (b) The pair is associated by C—F⋯π contacts, generating a pseudo-centre of inversion between them.
[Figure 3]
Figure 3
Packing of mol­ecules viewed down an arbitrary direction.

4. Database survey

A search of the CSD (version 6.01, May 2026 update; Groom et al., 2016View full citation) for homoleptic nitrile complexes of silver(I) paired with the [Al(OC{CF3)3}4]− anion indicates that with the tri­chloro­aceto­nitrile ligand, CCl3CN, both four coordinate [Ag(NCCCl3)4]+ (UDOYUK; Engesser et al., 2018View full citation) and two coordinate [Ag(NCCCl3)2]+ (EKUPEI; Malinowski et al., 2021View full citation) complexes are known, the latter being formed presumably by removal of CCl3CN ligands under vacuum (Malinowski et al., 2021View full citation). Crystallographically characterized complexes of the fluorinated aceto­nitrile ligands CH2FCN and CHF2CN are also two-coordinate, [Ag(NCCH2F)2]+ (LIGLEW) and [Ag(NCCHF2)2]+ (LIGLAS; Jadwiszczak & Malinowski, 2023View full citation). Again, both two-coordinate compounds with fluorinated aceto­nitrile ligands were exposed to high vacuum prior to their crystallization, which may encourage lower coordination numbers. Only one homoleptic perfluoro­benzo­nitrile complex cation was found, the octa­hedral zinc complex [Zn(NCC6F5)6][AsF6] (JEPKUL; Akkuş et al., 2006View full citation).

5. Synthesis and crystallization

Perfluoro­benzo­nitrile (C6F5CN) and penta­fluoro­benzene were dried over 3 Å mol­ecular sieves and degassed using three freeze-pump-thaw cycles on a Schlenk line prior to use. Ag[Al{OC(CF3)3}4] was prepared according to literature methods (Krossing, 2001View full citation).

Ag[Al{OC(CF3)3}4] (0.200 g, 0.186 mmol) was dissolved in penta­fluoro­benzene (3 ml) under argon at room temperature. C6F5CN (1.11 mmol, 0.14 ml, 5.9 equivalents) was then added slowly to the solution and stirred for approximately 10 minutes. The complex was crystallized by vapour diffusion of pentane into the penta­fluoro­benzene solution over the course of 3 days. The reaction vessel was covered with aluminium foil throughout this experiment to reduce light exposure.

After three days, small, colourless, clear crystalline plates had formed, along with a viscous brown oil. The brown oil rapidly solidified and formed crystals when the sample was perturbed. The crystals were then analysed using X-ray diffraction, which revealed them to be the intended product (mol­ecular weight: 1847.33 g mol−1). The resulting clear crystals were remarkably air-sensitive, decomposing within a few seconds of contact with air after removal from the mother liquor. Weighing of the crystals was not attempted due to their sensitive nature.

19F{1H} NMR (564 MHz, penta­fluoro­benzene solvent, δ): −76.6 (36 F, s, [Al(OC(CF3)3)4]−), −132.6 (8 F, m, ortho C6F5CN), −141.6 (4 F, tt, 3JFF = 18.8 Hz, 4JFF = 7.4 Hz, para C6F5CN), −159.9 (8 F, m, meta C6F5CN).

The 19F NMR spectrum was referenced relative to CFCl3 using the IUPAC recommended indirect referencing method (Harris et al., 2001View full citation). This was achieved by setting the 0 ppm frequency of the 19F spectrum equal to 0.94094011 times the frequency of 0 ppm in the 1H NMR spectrum.

6. Refinement

Crystal data, data collection and structure refinement details are summarized in Table 1[link]. The structure was refined in the chiral space group P21 with two crystallographically independent ion pairs in the asymmetric unit (Z′ = 2). Refinement converged satisfactorily to R1 = 0.051 [for I > 2σ(I)] and wR2 = 0.137 for all data, with a goodness-of-fit of 1.03. The relatively large number of refined parameters (2063) reflects the presence of two independent cations and two independent anions in the asymmetric unit, resulting in a comparatively modest data-to-parameter ratio in the diffraction data.

Table 1
Experimental details

Crystal data
Chemical formula [Ag(C7F5N)4][Al(C4F9O)4]
Mr 1847.33
Crystal system, space group Monoclinic, P21
Temperature (K) 120
a, b, c (Å) 13.3210 (9), 24.5685 (16), 17.8741 (9)
β (°) 98.493 (3)
V (Å3) 5785.6 (6)
Z 4
Radiation type Mo Kα
μ (mm−1) 0.59
Crystal size (mm) 0.22 × 0.19 × 0.12
 
Data collection
Diffractometer Bruker D8 Quest
Absorption correction Multi-scan (SADABS; Krause et al., 2015View full citation)
Tmin, Tmax 0.450, 0.745
No. of measured, independent and observed [I > 2σ(I)] reflections 72495, 24108, 18810
Rint 0.065
(sin θ/λ)max (Å−1) 0.634
 
Refinement
R[F2 > 2σ(F2)], wR(F2), S 0.051, 0.137, 1.03
No. of reflections 24108
No. of parameters 2063
No. of restraints 80
Δρmax, Δρmin (e Å−3) 0.84, −0.54
Absolute structure Refined as an inversion twin.
Absolute structure parameter 0.49 (2)
Computer programs: APEX6 and SAINT (Bruker, 2024View full citation), SHELXT (Sheldrick, 2015aView full citation), SHELXL (Sheldrick, 2015bView full citation) and OLEX2 (Dolomanov et al., 2009View full citation).

The absolute structure was refined as an inversion twin, giving a Flack parameter of 0.49 (2). This value indicates that the crystal examined consists of approximately equal proportions of the two inversion-related twin domains and, consequently, the absolute configuration cannot be determined from the diffraction data. The final difference Fourier map showed no chemically significant residual electron density, with residual peaks of +0.84 and −0.54 e Å−3, located in the vicinity of the heavy Ag atoms.

The disorder of one of the OC(CF3)3 groups was modelled over two orientations using the disordered structure refinement (DSR) approach. Appropriate restraints and equivalent-atom constraints were applied to maintain chemically reasonable geometry and displacement parameters during refinement.

Supporting information


Computing details top

Tetrakis(perfluorobenzonitrile)silver(I) tetrakis(perfluoro-tert-butoxy)aluminate(1-) top
Crystal data top
[Ag(C7F5N)4][Al(C4F9O)4]F(000) = 3552
Mr = 1847.33Dx = 2.121 Mg m−3
Monoclinic, P21Mo Kα radiation, λ = 0.71073 Å
a = 13.3210 (9) ÅCell parameters from 2527 reflections
b = 24.5685 (16) Åθ = 2.6–25.0°
c = 17.8741 (9) ŵ = 0.59 mm−1
β = 98.493 (3)°T = 120 K
V = 5785.6 (6) Å3Plate, colourless
Z = 40.22 × 0.19 × 0.12 mm
Data collection top
Bruker D8 Quest four-circle
diffractometer
18810 reflections with I > 2σ(I)
ω and φ scansRint = 0.065
Absorption correction: multi-scan
(SADABS; Krause et al., 2015)
θmax = 26.8°, θmin = 2.0°
Tmin = 0.450, Tmax = 0.745h = −16→16
72495 measured reflectionsk = −31→31
24108 independent reflectionsl = −22→22
Refinement top
Refinement on F280 restraints
Least-squares matrix: full w = 1/[σ2(Fo2) + (0.0681P)2 + 2.0284P]
where P = (Fo2 + 2Fc2)/3
R[F2 > 2σ(F2)] = 0.051(Δ/σ)max = 0.001
wR(F2) = 0.137Δρmax = 0.84 e Å−3
S = 1.03Δρmin = −0.54 e Å−3
24108 reflectionsAbsolute structure: Refined as an inversion twin.
2063 parametersAbsolute structure parameter: 0.49 (2)
Special details top

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

Refinement. Refined as a 2-component inversion twin. Single-crystal X-ray diffraction data was collected at 120 K on a Bruker D8 Quest diffractometer equipped with a Photon IV detector and a microfocus Mo Kα radiation source (λ = 0.71073 Å ). Symmetry-related absorption corrections were applied using SADABS program, and the data were corrected for Lorentz and polarization effects using Bruker APEX6 software (Bruker, 2024). The structure was solved by intrinsic phasing with SHELXT (Sheldrick, 2015a) and refined by full-matrix least-squares on F2 using SHELXL (Sheldrick, 2015b) within the Olex2 program (Dolomanov et al., 2009).

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/UeqOcc. (<1)
Ag01−0.26559 (5)0.12413 (3)0.18260 (4)0.04260 (17)
Ag02−0.75334 (5)0.28504 (3)0.68125 (4)0.04215 (17)
Al1A−0.13251 (16)−0.18574 (8)0.94405 (12)0.0230 (4)
Al1B−0.36406 (15)0.08574 (8)0.57325 (12)0.0224 (4)
F5B−0.4541 (4)−0.0479 (2)0.7599 (3)0.0468 (12)
F6B−0.4883 (4)−0.03406 (19)0.6409 (3)0.0494 (13)
F7B−0.3339 (4)−0.0391 (2)0.6923 (3)0.0486 (12)
F9B−0.5376 (4)0.1119 (2)0.7399 (3)0.0487 (13)
F10B−0.6030 (4)0.0331 (2)0.7120 (3)0.0493 (13)
F11B−0.5155 (4)0.0465 (2)0.8213 (3)0.0548 (14)
F13B−0.3395 (4)0.1073 (2)0.7983 (3)0.0495 (13)
F14B−0.2468 (3)0.0570 (2)0.7379 (3)0.0465 (12)
F15B−0.3130 (4)0.0231 (2)0.8303 (3)0.0532 (13)
F19B−0.6348 (5)0.0542 (3)0.5577 (4)0.0455 (16)0.75
F20B−0.5471 (14)0.0110 (6)0.4868 (8)0.049 (3)0.75
F21B−0.6943 (6)0.0422 (4)0.4417 (6)0.041 (2)0.75
F23B−0.5895 (6)0.2014 (3)0.4669 (7)0.071 (3)0.75
F24B−0.5882 (7)0.1605 (4)0.5723 (5)0.064 (2)0.75
F25B−0.7141 (5)0.1483 (3)0.4837 (5)0.054 (2)0.75
F27B−0.4922 (6)0.1466 (4)0.3655 (4)0.060 (2)0.75
F28B−0.5343 (7)0.0619 (4)0.3542 (5)0.072 (2)0.75
F29B−0.6484 (7)0.1241 (5)0.3468 (6)0.057 (3)0.75
F33B−0.1319 (5)−0.0051 (3)0.6222 (3)0.0652 (17)
F34B−0.0854 (4)−0.0471 (2)0.5269 (4)0.0568 (15)
F35B−0.2114 (4)−0.0763 (2)0.5768 (3)0.0535 (14)
F37B−0.3427 (6)0.0001 (3)0.3860 (3)0.077 (2)
F38B−0.2377 (5)−0.0664 (2)0.4139 (3)0.0590 (15)
F39B−0.3711 (4)−0.0585 (2)0.4679 (4)0.0654 (17)
F41B−0.1281 (6)0.0277 (2)0.4154 (4)0.076 (2)
F42B−0.1080 (4)0.0714 (2)0.5206 (4)0.0609 (16)
F43B−0.2380 (5)0.0876 (2)0.4377 (3)0.0636 (17)
F47B−0.2405 (5)0.2714 (2)0.5346 (3)0.0591 (15)
F48B−0.2721 (5)0.1975 (2)0.4718 (3)0.0597 (15)
F49B−0.3874 (5)0.2311 (2)0.5274 (4)0.0664 (17)
F51B−0.1006 (5)0.2411 (3)0.6513 (4)0.0734 (19)
F52B−0.0917 (5)0.1884 (3)0.5565 (4)0.0672 (18)
F53B−0.0909 (5)0.1549 (3)0.6673 (4)0.074 (2)
F55B−0.2423 (7)0.1949 (3)0.7378 (3)0.087 (2)
F56B−0.3903 (5)0.1949 (2)0.6709 (4)0.0698 (18)
F57B−0.2947 (7)0.2656 (2)0.6734 (4)0.079 (2)
O2B−0.4249 (4)0.0685 (2)0.6485 (3)0.0264 (11)
O16B−0.4548 (4)0.1083 (2)0.5013 (3)0.0337 (12)
O30B−0.3058 (4)0.0277 (2)0.5465 (3)0.0301 (11)
O44B−0.2738 (4)0.1349 (2)0.5934 (3)0.0321 (12)
C3B−0.4238 (5)0.0415 (3)0.7144 (4)0.0274 (15)
C4B−0.4258 (6)−0.0206 (3)0.7024 (5)0.0355 (18)
C8B−0.5214 (7)0.0578 (4)0.7478 (4)0.0396 (19)
C12B−0.3289 (6)0.0572 (3)0.7710 (4)0.0358 (17)
C17B−0.5547 (7)0.1060 (4)0.4709 (5)0.0274 (19)0.75
C18B−0.6080 (8)0.0523 (5)0.4873 (6)0.036 (2)0.75
C22B−0.6108 (9)0.1553 (5)0.4971 (9)0.052 (3)0.75
C26B−0.5603 (10)0.1100 (6)0.3833 (7)0.051 (4)0.75
C31B−0.2396 (6)0.0054 (3)0.5049 (4)0.0280 (15)
C32B−0.1658 (6)−0.0315 (4)0.5588 (5)0.0394 (18)
C36B−0.2988 (7)−0.0314 (4)0.4436 (5)0.043 (2)
C40B−0.1790 (8)0.0487 (4)0.4691 (5)0.047 (2)
C45B−0.2485 (6)0.1882 (3)0.6057 (5)0.0372 (18)
C46B−0.2873 (7)0.2221 (3)0.5331 (5)0.044 (2)
C50B−0.1324 (8)0.1934 (4)0.6207 (7)0.055 (3)
C54B−0.2972 (10)0.2119 (4)0.6716 (7)0.063 (3)
F00S−0.3365 (4)0.4199 (2)0.2246 (3)0.0471 (12)
F1−0.7154 (4)0.1388 (2)0.9143 (3)0.0518 (13)
F1A−0.3989 (5)0.0780 (2)1.0332 (3)0.0580 (16)
F1B−0.8705 (4)−0.0587 (2)0.6076 (4)0.0586 (15)
F1C−1.1722 (4)0.5621 (3)0.7043 (3)0.0621 (17)
F1D−0.3216 (4)0.3913 (2)0.3729 (3)0.0531 (14)
F1E0.1121 (5)0.3321 (2)0.5223 (3)0.0590 (15)
F1F−0.3683 (4)0.4696 (2)0.0886 (3)0.0524 (14)
F1G−0.6851 (5)−0.1516 (3)0.2032 (4)0.0650 (17)
F1H0.1901 (4)0.0359 (2)−0.1164 (3)0.0476 (13)
F2−0.6035 (5)0.0724 (2)1.0153 (3)0.0597 (15)
F2A−0.3050 (4)0.1518 (3)0.9556 (3)0.0550 (14)
F2B−0.8193 (4)−0.0065 (2)0.7394 (3)0.0476 (12)
F2C−1.2494 (3)0.4611 (3)0.6697 (3)0.0519 (14)
F2D−0.4930 (5)0.3380 (3)0.3142 (3)0.0614 (16)
F2E−0.0881 (5)0.3526 (2)0.4909 (3)0.0543 (14)
F2G−0.7644 (4)−0.0522 (3)0.1737 (3)0.0532 (14)
F2H0.2270 (4)0.0143 (3)0.0326 (3)0.0594 (16)
F3A−0.4159 (4)0.2170 (2)0.8534 (3)0.0497 (13)
F3B−0.8079 (4)0.1033 (2)0.7419 (3)0.0451 (12)
F3C−1.1221 (4)0.3762 (2)0.6683 (3)0.0559 (14)
F3D−0.6252 (4)0.3046 (3)0.4066 (3)0.0577 (15)
F3E−0.2048 (4)0.2907 (2)0.3855 (3)0.0502 (12)
F3F−0.3281 (4)0.3100 (2)0.2319 (3)0.0445 (12)
F3G−0.6406 (4)0.0361 (2)0.1806 (3)0.0517 (13)
F3H0.0825 (4)0.0367 (3)0.1224 (3)0.0580 (16)
F5A0.0278 (4)−0.0908 (2)0.9608 (3)0.0441 (11)
F5C−0.8428 (4)0.4918 (3)0.7406 (3)0.0501 (13)
F5D−0.4090 (4)0.3748 (2)0.6164 (3)0.0527 (14)
F5E0.0787 (4)0.1856 (2)0.3549 (3)0.0499 (13)
F5F−0.3850 (4)0.3013 (2)−0.0328 (3)0.0530 (14)
F5G−0.3575 (4)−0.0775 (2)0.2455 (3)0.0507 (14)
F5H−0.1387 (4)0.0922 (2)−0.0912 (3)0.0603 (16)
F6A0.1227 (4)−0.0682 (2)0.8785 (3)0.0487 (12)
F6C−0.9695 (5)0.5772 (3)0.7375 (4)0.0662 (17)
F6D−0.2796 (4)0.4101 (3)0.5222 (3)0.0589 (15)
F6E0.1967 (4)0.2509 (3)0.4537 (4)0.0633 (16)
F6F−0.3879 (4)0.4114 (2)−0.0401 (3)0.0504 (13)
F6G−0.4824 (4)−0.1653 (2)0.2387 (3)0.0582 (15)
F6H0.0076 (5)0.0735 (2)−0.1796 (3)0.0573 (15)
F7A0.1306 (4)−0.1498 (2)0.9238 (3)0.0576 (15)
F9A0.0537 (4)−0.2101 (3)0.8055 (4)0.0679 (17)
F10A−0.0348 (5)−0.1635 (3)0.7137 (3)0.0641 (16)
F11A0.1162 (4)−0.1375 (3)0.7623 (4)0.0721 (19)
F13A−0.1582 (4)−0.0907 (2)0.7569 (3)0.0533 (14)
F14A−0.0153 (4)−0.0499 (3)0.7557 (4)0.072 (2)
F15A−0.0915 (4)−0.0410 (2)0.8525 (4)0.0577 (14)
F18−0.9050 (5)0.1073 (3)0.4782 (3)0.074 (2)
F19A−0.4369 (4)−0.2423 (3)0.8389 (4)0.0608 (16)
F20−0.9084 (5)−0.0028 (3)0.4762 (3)0.0697 (19)
F20A−0.4060 (5)−0.3295 (3)0.8332 (4)0.0697 (18)
F21A−0.3819 (5)−0.2874 (3)0.9396 (3)0.0677 (18)
F23A−0.2179 (7)−0.3488 (2)0.9255 (4)0.087 (2)
F24A−0.2131 (6)−0.3524 (3)0.8033 (5)0.092 (3)
F25A−0.1010 (5)−0.3082 (3)0.8775 (4)0.079 (2)
F27A−0.2945 (4)−0.1925 (2)0.7738 (3)0.0505 (13)
F28A−0.1713 (5)−0.2464 (3)0.7554 (3)0.0737 (19)
F29A−0.3285 (6)−0.2709 (3)0.7237 (3)0.077 (2)
F33A−0.3336 (4)−0.1937 (2)1.0486 (3)0.0504 (13)
F34A−0.2658 (4)−0.1418 (2)1.1366 (3)0.0534 (13)
F35A−0.4127 (4)−0.1215 (2)1.0746 (3)0.0478 (13)
F37A−0.4020 (3)−0.1440 (2)0.9196 (3)0.0424 (11)
F38A−0.4052 (4)−0.0579 (2)0.9452 (3)0.0436 (12)
F39A−0.2935 (3)−0.0900 (2)0.8810 (2)0.0398 (11)
F41A−0.1472 (4)−0.0594 (2)1.0964 (3)0.0507 (13)
F42A−0.2080 (4)−0.02112 (19)0.9920 (3)0.0550 (14)
F43A−0.2996 (4)−0.0297 (2)1.0818 (3)0.0499 (13)
F47A0.0999 (5)−0.2015 (3)1.1881 (3)0.0623 (16)
F48A−0.0440 (6)−0.1656 (3)1.1504 (4)0.090 (2)
F49A0.0828 (8)−0.1470 (3)1.0963 (4)0.103 (3)
F51A0.1805 (5)−0.2329 (3)1.0475 (5)0.090 (3)
F52A0.1463 (6)−0.2936 (3)1.1186 (4)0.098 (3)
F53A0.0882 (4)−0.3004 (3)1.0030 (3)0.0626 (17)
F55A−0.0775 (5)−0.3175 (3)1.0632 (4)0.0771 (19)
F56A−0.0357 (6)−0.2858 (3)1.1713 (4)0.092 (2)
F57A−0.1582 (5)−0.2507 (3)1.0928 (4)0.080 (2)
O2A−0.0884 (4)−0.1586 (2)0.8661 (3)0.0293 (11)
O16A−0.2277 (4)−0.2317 (2)0.9105 (3)0.0302 (11)
O30A−0.1834 (3)−0.1372 (2)0.9973 (3)0.0272 (10)
O44A−0.0296 (4)−0.2136 (2)1.0004 (3)0.0311 (11)
N1A−0.6743 (6)0.2383 (3)0.7804 (4)0.0428 (17)
N1B−0.8452 (6)0.2119 (4)0.6173 (5)0.055 (2)
N1C−0.8581 (6)0.3516 (4)0.6998 (4)0.051 (2)
N1D−0.6432 (6)0.3068 (3)0.6018 (4)0.0426 (17)
N1E−0.1771 (7)0.1763 (4)0.2746 (5)0.053 (2)
N1F−0.3440 (6)0.1996 (3)0.1132 (5)0.0477 (19)
N1G−0.3776 (6)0.0626 (4)0.2117 (4)0.0500 (19)
N1H−0.1594 (6)0.0907 (3)0.1047 (5)0.0440 (18)
C1−0.4543 (7)0.1117 (3)0.9841 (5)0.039 (2)
C1C−1.1108 (6)0.5195 (4)0.7032 (5)0.039 (2)
C1D−0.3848 (7)0.3735 (4)0.4179 (5)0.0375 (19)
C1E0.0550 (7)0.3015 (4)0.4732 (5)0.044 (2)
C1F−0.3635 (6)0.4161 (4)0.0917 (5)0.0365 (19)
C1G−0.6243 (7)−0.1087 (4)0.2063 (5)0.045 (2)
C1H0.1192 (6)0.0451 (3)−0.0730 (5)0.0336 (18)
C2−0.6138 (6)0.1415 (3)0.9241 (5)0.0359 (18)
C2A−0.4061 (7)0.1482 (4)0.9441 (5)0.041 (2)
C2B−0.8394 (6)0.0220 (4)0.6760 (5)0.0350 (18)
C2C−1.1504 (6)0.4684 (4)0.6848 (4)0.0343 (18)
C2D−0.4712 (7)0.3466 (4)0.3891 (5)0.0377 (19)
C2E−0.0473 (7)0.3126 (3)0.4557 (5)0.041 (2)
C2F−0.3495 (6)0.3904 (4)0.1625 (5)0.0352 (18)
C2G−0.6645 (7)−0.0579 (5)0.1931 (5)0.044 (2)
C2H0.1368 (6)0.0352 (4)0.0039 (5)0.0371 (18)
C3−0.5586 (7)0.1081 (3)0.9741 (5)0.0384 (19)
C3A−0.0181 (5)−0.1273 (3)0.8380 (4)0.0298 (16)
C3C−1.0836 (7)0.4255 (4)0.6857 (5)0.040 (2)
C3D−0.5388 (7)0.3291 (4)0.4363 (5)0.040 (2)
C3E−0.1074 (6)0.2805 (4)0.4040 (4)0.0372 (18)
C3F−0.3445 (6)0.3343 (4)0.1655 (4)0.0328 (17)
C3G−0.6011 (6)−0.0128 (4)0.1939 (4)0.0367 (19)
C3H0.0655 (6)0.0465 (3)0.0480 (5)0.0349 (18)
C4−0.8653 (6)−0.0054 (4)0.6081 (5)0.0384 (19)
C4A0.0675 (6)−0.1077 (4)0.9013 (5)0.0404 (19)
C4C−0.9802 (6)0.4320 (4)0.7032 (4)0.0349 (18)
C4D−0.5178 (6)0.3375 (3)0.5137 (5)0.0326 (17)
C4E−0.0654 (6)0.2364 (3)0.3706 (5)0.0345 (18)
C4F−0.3584 (6)0.3038 (4)0.0993 (5)0.0335 (18)
C4G−0.4969 (6)−0.0192 (4)0.2133 (4)0.039 (2)
C4H−0.0299 (6)0.0658 (3)0.0175 (5)0.0311 (17)
C5−0.8820 (7)0.0793 (5)0.5426 (5)0.050 (2)
C5C−0.9432 (6)0.4844 (4)0.7219 (4)0.0360 (18)
C5D−0.4292 (7)0.3656 (4)0.5426 (5)0.0381 (19)
C5E0.0379 (7)0.2266 (4)0.3880 (5)0.0381 (19)
C5F−0.3719 (6)0.3295 (4)0.0299 (5)0.0386 (19)
C5G−0.4574 (6)−0.0706 (4)0.2280 (4)0.0363 (19)
C5H−0.0492 (6)0.0746 (3)−0.0615 (5)0.0342 (18)
C05L−0.3489 (6)0.2454 (4)0.1050 (5)0.0388 (19)
C6−0.8854 (7)0.0243 (5)0.5411 (5)0.050 (3)
C6C−1.0073 (6)0.5270 (4)0.7221 (5)0.041 (2)
C6D−0.3626 (7)0.3828 (4)0.4952 (5)0.0396 (19)
C6E0.0986 (7)0.2587 (4)0.4398 (5)0.044 (2)
C6F−0.3749 (6)0.3862 (4)0.0271 (5)0.040 (2)
C6G−0.5198 (6)−0.1157 (4)0.2240 (5)0.0388 (19)
C6H0.0228 (8)0.0653 (3)−0.1058 (5)0.042 (2)
C7−0.4622 (6)0.1820 (3)0.8941 (4)0.0313 (17)
C7A−0.6256 (6)0.2120 (3)0.8257 (5)0.0360 (18)
C7B−0.8529 (7)0.1664 (4)0.6138 (5)0.045 (2)
C7C−0.9124 (7)0.3881 (4)0.7022 (5)0.044 (2)
C7D−0.5876 (7)0.3202 (3)0.5621 (5)0.0381 (19)
C7E−0.1271 (7)0.2020 (4)0.3173 (5)0.0398 (19)
C7G−0.4304 (6)0.0267 (4)0.2124 (4)0.040 (2)
C7H−0.1042 (6)0.0791 (3)0.0645 (5)0.0343 (18)
C8−0.5681 (6)0.1794 (3)0.8807 (5)0.0330 (17)
C8A0.0309 (7)−0.1584 (4)0.7799 (6)0.049 (2)
C9−0.8557 (6)0.1075 (4)0.6099 (5)0.0373 (19)
C12−0.8352 (6)0.0775 (4)0.6769 (5)0.0354 (18)
C12A−0.0714 (7)−0.0756 (4)0.8020 (6)0.048 (2)
C17A−0.2626 (7)−0.2681 (3)0.8566 (5)0.0370 (18)
C18A−0.3721 (9)−0.2821 (4)0.8657 (6)0.053 (3)
C22A−0.1972 (10)−0.3193 (5)0.8641 (7)0.071 (4)
C26A−0.2634 (8)−0.2435 (4)0.7765 (5)0.051 (2)
C31A−0.2666 (5)−0.1099 (3)1.0117 (4)0.0264 (15)
C32A−0.3224 (7)−0.1426 (4)1.0675 (5)0.042 (2)
C36A−0.3427 (6)−0.1004 (3)0.9381 (4)0.0332 (16)
C40A−0.2321 (6)−0.0551 (3)1.0471 (5)0.041 (2)
C45A0.0128 (6)−0.2327 (3)1.0687 (4)0.0340 (17)
C46A0.0411 (9)−0.1855 (5)1.1262 (6)0.057 (3)
C50A0.1083 (7)−0.2659 (4)1.0567 (6)0.048 (2)
C54A−0.0620 (8)−0.2706 (4)1.1020 (6)0.053 (3)
C17C−0.5440 (16)0.1093 (10)0.4584 (13)0.0274 (19)0.25
C26C−0.534 (2)0.1336 (14)0.3806 (15)0.051 (4)0.25
F29C−0.610 (2)0.121 (2)0.3277 (17)0.089 (15)0.25
F27C−0.529 (2)0.1884 (10)0.3845 (16)0.076 (7)0.25
F28C−0.448 (2)0.1153 (12)0.3547 (13)0.070 (7)0.25
F21C−0.684 (2)0.0539 (15)0.427 (2)0.041 (2)0.25
C18C−0.583 (2)0.0504 (10)0.4473 (16)0.036 (2)0.25
F20C−0.546 (2)0.0251 (11)0.3936 (14)0.075 (8)0.25
F19C−0.560 (4)0.0207 (19)0.511 (2)0.068 (15)0.25
C22C−0.617 (2)0.1428 (13)0.5000 (17)0.052 (3)0.25
F23C−0.5748 (17)0.1878 (10)0.529 (2)0.069 (8)0.25
F25C−0.6984 (17)0.1573 (11)0.4474 (15)0.054 (2)0.25
F24C−0.6372 (18)0.1117 (12)0.5588 (15)0.097 (12)0.25
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Ag010.0375 (3)0.0429 (4)0.0458 (4)0.0009 (3)0.0009 (3)−0.0071 (3)
Ag020.0384 (3)0.0410 (4)0.0459 (4)0.0023 (3)0.0022 (3)0.0093 (3)
Al1A0.0256 (10)0.0221 (10)0.0206 (10)0.0039 (8)0.0010 (8)−0.0014 (8)
Al1B0.0244 (10)0.0207 (10)0.0205 (10)0.0009 (8)−0.0024 (8)−0.0010 (8)
F5B0.054 (3)0.035 (3)0.051 (3)−0.003 (2)0.005 (2)0.011 (2)
F6B0.064 (3)0.032 (2)0.045 (3)−0.001 (2)−0.016 (2)−0.003 (2)
F7B0.053 (3)0.040 (3)0.053 (3)0.016 (2)0.010 (2)0.006 (2)
F9B0.054 (3)0.043 (3)0.054 (3)0.012 (2)0.023 (2)−0.009 (2)
F10B0.030 (2)0.056 (3)0.061 (3)−0.003 (2)0.003 (2)0.003 (3)
F11B0.065 (3)0.069 (4)0.037 (3)−0.003 (3)0.028 (2)0.003 (3)
F13B0.061 (3)0.051 (3)0.034 (3)−0.013 (2)0.000 (2)−0.008 (2)
F14B0.027 (2)0.067 (3)0.042 (3)−0.001 (2)−0.004 (2)0.006 (2)
F15B0.063 (3)0.061 (3)0.030 (2)−0.013 (3)−0.012 (2)0.017 (2)
F19B0.043 (4)0.059 (4)0.034 (3)−0.009 (3)0.003 (3)0.007 (3)
F20B0.041 (5)0.036 (5)0.070 (7)0.009 (4)0.009 (5)0.011 (5)
F21B0.045 (3)0.035 (5)0.039 (5)−0.013 (3)−0.012 (3)0.014 (3)
F23B0.051 (5)0.030 (4)0.131 (9)0.006 (3)0.005 (5)0.018 (5)
F24B0.064 (5)0.057 (5)0.071 (6)0.004 (4)0.013 (4)−0.028 (5)
F25B0.031 (3)0.043 (4)0.090 (7)0.005 (3)0.017 (4)0.013 (4)
F27B0.044 (4)0.093 (7)0.039 (4)−0.026 (4)−0.008 (3)0.028 (4)
F28B0.090 (6)0.091 (7)0.036 (4)0.000 (5)0.019 (4)−0.017 (5)
F29B0.040 (5)0.078 (6)0.046 (6)−0.012 (5)−0.021 (4)0.034 (5)
F33B0.065 (4)0.077 (4)0.045 (3)0.022 (3)−0.022 (3)−0.010 (3)
F34B0.040 (3)0.053 (3)0.080 (4)0.018 (2)0.018 (3)−0.003 (3)
F35B0.061 (3)0.039 (3)0.066 (3)0.016 (2)0.024 (3)0.018 (3)
F37B0.105 (5)0.073 (4)0.042 (3)0.037 (4)−0.027 (3)−0.019 (3)
F38B0.074 (4)0.047 (3)0.057 (3)0.016 (3)0.011 (3)−0.024 (3)
F39B0.049 (3)0.046 (3)0.100 (5)−0.010 (3)0.007 (3)−0.031 (3)
F41B0.111 (5)0.050 (3)0.087 (5)0.010 (3)0.078 (4)−0.002 (3)
F42B0.050 (3)0.046 (3)0.094 (5)−0.015 (2)0.032 (3)−0.018 (3)
F43B0.105 (5)0.036 (3)0.058 (4)0.015 (3)0.038 (3)0.016 (3)
F47B0.092 (4)0.033 (3)0.055 (3)−0.014 (3)0.019 (3)0.000 (2)
F48B0.099 (5)0.040 (3)0.037 (3)−0.004 (3)−0.002 (3)0.004 (2)
F49B0.057 (3)0.040 (3)0.097 (5)0.013 (2)−0.005 (3)0.006 (3)
F51B0.063 (4)0.059 (4)0.092 (5)−0.029 (3)−0.009 (3)−0.022 (4)
F52B0.051 (3)0.060 (4)0.095 (5)−0.010 (3)0.027 (3)−0.005 (3)
F53B0.056 (4)0.070 (4)0.084 (5)−0.011 (3)−0.025 (3)0.022 (4)
F55B0.139 (7)0.083 (5)0.037 (3)−0.051 (5)0.011 (4)−0.012 (3)
F56B0.077 (4)0.050 (3)0.093 (5)−0.013 (3)0.046 (4)−0.023 (3)
F57B0.138 (6)0.037 (3)0.072 (4)−0.020 (3)0.049 (4)−0.027 (3)
O2B0.030 (2)0.028 (3)0.022 (2)0.009 (2)0.004 (2)0.002 (2)
O16B0.029 (3)0.042 (3)0.027 (3)0.002 (2)−0.004 (2)0.009 (2)
O30B0.029 (3)0.030 (3)0.034 (3)0.002 (2)0.012 (2)−0.005 (2)
O44B0.036 (3)0.031 (3)0.029 (3)−0.006 (2)0.003 (2)−0.006 (2)
C3B0.031 (4)0.032 (4)0.020 (3)0.003 (3)0.006 (3)0.001 (3)
C4B0.033 (4)0.037 (4)0.032 (4)0.001 (3)−0.007 (3)0.008 (3)
C8B0.050 (5)0.045 (5)0.024 (4)−0.001 (4)0.007 (3)0.001 (4)
C12B0.037 (4)0.042 (4)0.025 (4)−0.001 (3)−0.006 (3)0.003 (3)
C17B0.026 (4)0.036 (4)0.018 (4)0.004 (3)−0.002 (3)0.008 (3)
C18B0.032 (5)0.041 (5)0.030 (6)−0.005 (4)−0.013 (4)0.008 (5)
C22B0.037 (5)0.039 (8)0.075 (8)0.001 (5)−0.001 (5)−0.011 (6)
C26B0.037 (7)0.075 (11)0.036 (6)−0.004 (6)−0.006 (5)0.011 (7)
C31B0.032 (4)0.027 (4)0.026 (4)0.007 (3)0.007 (3)−0.004 (3)
C32B0.039 (4)0.043 (5)0.036 (4)0.008 (4)0.004 (3)−0.001 (4)
C36B0.051 (5)0.034 (4)0.044 (5)0.013 (4)0.004 (4)−0.015 (4)
C40B0.058 (6)0.040 (5)0.053 (6)0.010 (4)0.034 (5)−0.005 (4)
C45B0.047 (5)0.028 (4)0.035 (4)−0.008 (3)0.001 (4)−0.005 (3)
C46B0.060 (6)0.026 (4)0.047 (5)0.001 (4)0.007 (4)0.004 (4)
C50B0.055 (6)0.041 (5)0.064 (7)−0.012 (4)−0.011 (5)−0.007 (5)
C54B0.088 (8)0.039 (5)0.069 (8)−0.020 (5)0.035 (6)−0.016 (5)
F00S0.055 (3)0.045 (3)0.040 (3)−0.010 (2)0.005 (2)−0.009 (2)
F10.032 (2)0.060 (3)0.062 (3)−0.007 (2)0.000 (2)0.003 (3)
F1A0.078 (4)0.052 (3)0.037 (3)0.024 (3)−0.015 (3)0.000 (2)
F1B0.049 (3)0.052 (3)0.077 (4)−0.002 (3)0.017 (3)−0.027 (3)
F1C0.049 (3)0.078 (4)0.053 (3)0.028 (3)−0.015 (3)−0.024 (3)
F1D0.048 (3)0.073 (4)0.041 (3)−0.002 (3)0.014 (2)0.011 (3)
F1E0.072 (4)0.039 (3)0.057 (3)−0.013 (3)−0.021 (3)0.002 (3)
F1F0.048 (3)0.042 (3)0.067 (4)−0.012 (2)0.011 (3)0.015 (3)
F1G0.060 (4)0.072 (4)0.061 (4)−0.021 (3)0.003 (3)0.019 (3)
F1H0.059 (3)0.045 (3)0.044 (3)0.000 (2)0.022 (2)−0.010 (2)
F20.075 (4)0.047 (3)0.057 (4)−0.015 (3)0.008 (3)0.012 (3)
F2A0.034 (3)0.084 (4)0.045 (3)0.006 (3)0.000 (2)−0.005 (3)
F2B0.054 (3)0.043 (3)0.046 (3)0.002 (2)0.005 (2)0.001 (2)
F2C0.028 (2)0.086 (4)0.039 (3)0.000 (2)−0.003 (2)0.006 (3)
F2D0.073 (4)0.083 (4)0.026 (3)−0.007 (3)0.003 (3)−0.002 (3)
F2E0.077 (4)0.034 (3)0.050 (3)0.006 (3)0.003 (3)0.001 (2)
F2G0.031 (3)0.088 (4)0.040 (3)−0.001 (2)0.004 (2)0.002 (3)
F2H0.029 (2)0.099 (5)0.050 (3)0.016 (3)0.006 (2)0.000 (3)
F3A0.050 (3)0.062 (3)0.039 (3)−0.002 (3)0.012 (2)0.004 (3)
F3B0.054 (3)0.047 (3)0.033 (3)−0.011 (2)0.004 (2)−0.005 (2)
F3C0.059 (3)0.048 (3)0.058 (3)−0.012 (3)−0.002 (3)0.015 (3)
F3D0.061 (3)0.070 (4)0.041 (3)−0.021 (3)0.003 (2)−0.006 (3)
F3E0.043 (3)0.058 (3)0.048 (3)0.008 (2)0.003 (2)0.010 (3)
F3F0.050 (3)0.050 (3)0.031 (3)−0.001 (2)−0.001 (2)0.009 (2)
F3G0.050 (3)0.055 (3)0.046 (3)0.014 (2)−0.006 (2)−0.002 (3)
F3H0.041 (3)0.096 (5)0.037 (3)0.025 (3)0.008 (2)0.012 (3)
F5A0.050 (3)0.048 (3)0.036 (3)−0.011 (2)0.012 (2)−0.010 (2)
F5C0.027 (2)0.070 (4)0.050 (3)0.000 (2)−0.004 (2)0.003 (3)
F5D0.054 (3)0.074 (4)0.029 (3)−0.011 (3)0.003 (2)−0.009 (3)
F5E0.062 (3)0.043 (3)0.045 (3)0.009 (2)0.007 (3)0.000 (2)
F5F0.057 (3)0.069 (4)0.032 (3)0.013 (3)0.005 (2)−0.013 (2)
F5G0.030 (2)0.073 (4)0.048 (3)0.012 (2)0.000 (2)−0.013 (3)
F5H0.060 (3)0.060 (3)0.053 (3)0.028 (3)−0.021 (3)−0.013 (3)
F6A0.037 (3)0.051 (3)0.061 (3)−0.009 (2)0.017 (2)0.001 (3)
F6C0.066 (4)0.054 (4)0.071 (4)−0.003 (3)−0.017 (3)−0.017 (3)
F6D0.045 (3)0.084 (4)0.046 (3)−0.019 (3)0.001 (2)−0.008 (3)
F6E0.043 (3)0.057 (3)0.082 (4)−0.005 (3)−0.020 (3)0.006 (3)
F6F0.046 (3)0.069 (4)0.037 (3)0.001 (3)0.008 (2)0.020 (3)
F6G0.060 (3)0.054 (3)0.057 (4)0.009 (3)−0.004 (3)0.012 (3)
F6H0.078 (4)0.061 (4)0.030 (3)0.015 (3)0.000 (3)0.000 (3)
F7A0.032 (3)0.065 (4)0.072 (4)0.006 (2)−0.004 (3)0.018 (3)
F9A0.055 (3)0.071 (4)0.080 (4)0.022 (3)0.015 (3)−0.024 (4)
F10A0.071 (4)0.091 (4)0.033 (3)−0.002 (3)0.016 (3)−0.022 (3)
F11A0.043 (3)0.113 (5)0.067 (4)−0.013 (3)0.031 (3)−0.028 (4)
F13A0.028 (2)0.073 (4)0.056 (3)0.001 (2)−0.002 (2)0.023 (3)
F14A0.048 (3)0.093 (5)0.076 (4)−0.012 (3)0.011 (3)0.048 (4)
F15A0.057 (3)0.035 (3)0.082 (4)0.000 (2)0.012 (3)0.001 (3)
F180.073 (4)0.107 (6)0.040 (3)−0.046 (4)0.003 (3)0.013 (3)
F19A0.037 (3)0.064 (4)0.077 (4)−0.008 (3)−0.003 (3)−0.013 (3)
F200.068 (4)0.107 (5)0.037 (3)−0.035 (4)0.019 (3)−0.028 (3)
F20A0.078 (4)0.050 (3)0.078 (4)−0.033 (3)−0.002 (3)−0.022 (3)
F21A0.078 (4)0.076 (4)0.048 (3)−0.042 (3)0.008 (3)0.009 (3)
F23A0.139 (7)0.034 (3)0.075 (5)0.008 (4)−0.029 (4)0.010 (3)
F24A0.098 (5)0.061 (4)0.105 (6)0.022 (4)−0.025 (4)−0.059 (4)
F25A0.065 (4)0.073 (4)0.090 (5)0.029 (3)−0.019 (4)−0.038 (4)
F27A0.068 (3)0.038 (3)0.039 (3)−0.013 (2)−0.011 (2)0.006 (2)
F28A0.075 (4)0.097 (5)0.053 (4)−0.022 (4)0.024 (3)−0.034 (3)
F29A0.120 (6)0.065 (4)0.036 (3)−0.035 (4)−0.021 (3)−0.003 (3)
F33A0.067 (3)0.039 (3)0.051 (3)−0.005 (2)0.025 (3)0.009 (2)
F34A0.062 (3)0.067 (4)0.031 (3)0.016 (3)0.007 (2)0.007 (2)
F35A0.037 (3)0.069 (4)0.042 (3)0.006 (2)0.021 (2)0.005 (2)
F37A0.030 (2)0.043 (3)0.054 (3)−0.0035 (19)0.001 (2)−0.010 (2)
F38A0.037 (3)0.048 (3)0.046 (3)0.022 (2)0.007 (2)0.002 (2)
F39A0.034 (2)0.055 (3)0.030 (2)0.003 (2)0.0052 (19)0.010 (2)
F41A0.047 (3)0.047 (3)0.053 (3)0.010 (2)−0.010 (2)−0.022 (3)
F42A0.066 (4)0.029 (2)0.073 (4)−0.013 (2)0.020 (3)−0.002 (2)
F43A0.055 (3)0.038 (3)0.059 (3)0.015 (2)0.018 (3)−0.015 (2)
F47A0.067 (4)0.078 (4)0.035 (3)0.016 (3)−0.016 (2)−0.007 (3)
F48A0.102 (5)0.097 (5)0.061 (4)0.048 (4)−0.021 (4)−0.036 (4)
F49A0.182 (8)0.056 (4)0.057 (4)−0.045 (5)−0.031 (4)0.003 (3)
F51A0.036 (3)0.080 (5)0.155 (8)0.009 (3)0.011 (4)0.023 (5)
F52A0.108 (6)0.111 (6)0.060 (4)0.082 (5)−0.031 (4)−0.004 (4)
F53A0.055 (3)0.073 (4)0.056 (3)0.033 (3)−0.006 (3)−0.020 (3)
F55A0.076 (4)0.066 (4)0.091 (5)−0.022 (3)0.018 (4)−0.003 (4)
F56A0.116 (6)0.087 (5)0.064 (4)−0.009 (4)−0.013 (4)0.043 (4)
F57A0.065 (4)0.083 (5)0.097 (5)0.015 (3)0.028 (4)0.041 (4)
O2A0.028 (3)0.034 (3)0.024 (3)0.002 (2)−0.002 (2)−0.004 (2)
O16A0.036 (3)0.024 (3)0.028 (3)−0.002 (2)−0.002 (2)−0.004 (2)
O30A0.023 (2)0.029 (3)0.029 (3)0.0030 (19)0.0047 (19)−0.007 (2)
O44A0.033 (3)0.035 (3)0.023 (2)0.014 (2)−0.0038 (19)−0.004 (2)
N1A0.044 (4)0.044 (4)0.038 (4)0.008 (3)−0.003 (3)0.003 (3)
N1B0.039 (4)0.055 (6)0.067 (6)−0.019 (4)−0.007 (4)0.011 (5)
N1C0.057 (5)0.058 (5)0.037 (4)0.022 (4)0.001 (4)0.012 (4)
N1D0.050 (4)0.040 (4)0.039 (4)−0.009 (3)0.011 (3)0.003 (3)
N1E0.058 (5)0.054 (5)0.044 (5)−0.014 (4)0.001 (4)−0.006 (4)
N1F0.051 (5)0.049 (5)0.042 (4)0.021 (4)0.003 (3)−0.005 (4)
N1G0.047 (4)0.062 (5)0.042 (4)0.000 (4)0.007 (3)−0.002 (4)
N1H0.036 (4)0.035 (4)0.060 (5)0.002 (3)0.005 (4)−0.001 (3)
C10.050 (5)0.037 (5)0.028 (4)0.014 (4)−0.007 (3)−0.004 (3)
C1C0.036 (4)0.053 (5)0.026 (4)0.016 (4)0.001 (3)−0.009 (4)
C1D0.047 (5)0.039 (5)0.028 (4)0.009 (4)0.009 (4)0.008 (3)
C1E0.058 (5)0.035 (5)0.034 (4)−0.016 (4)−0.012 (4)0.009 (4)
C1F0.024 (4)0.040 (5)0.046 (5)−0.002 (3)0.007 (3)0.013 (4)
C1G0.039 (5)0.069 (7)0.027 (4)−0.015 (4)0.004 (4)0.006 (4)
C1H0.030 (4)0.030 (4)0.042 (5)−0.003 (3)0.010 (3)−0.011 (3)
C20.030 (4)0.036 (4)0.042 (5)−0.007 (3)0.008 (3)−0.010 (4)
C2A0.038 (4)0.052 (5)0.034 (5)0.008 (4)0.002 (4)−0.010 (4)
C2B0.025 (4)0.046 (5)0.033 (4)−0.002 (3)0.003 (3)−0.008 (4)
C2C0.031 (4)0.052 (5)0.020 (4)0.006 (3)0.003 (3)0.005 (3)
C2D0.040 (4)0.043 (5)0.028 (4)0.004 (4)−0.001 (3)0.000 (4)
C2E0.061 (5)0.030 (4)0.032 (4)−0.003 (4)0.009 (4)0.008 (4)
C2F0.027 (4)0.045 (5)0.031 (4)−0.004 (3)−0.001 (3)−0.009 (4)
C2G0.035 (4)0.078 (7)0.019 (4)0.005 (4)0.004 (3)0.004 (4)
C2H0.029 (4)0.046 (5)0.035 (4)−0.002 (3)0.002 (3)−0.004 (4)
C30.057 (5)0.029 (4)0.029 (4)−0.004 (3)0.008 (4)−0.006 (3)
C3A0.018 (3)0.048 (5)0.024 (4)0.001 (3)0.004 (3)0.002 (3)
C3C0.041 (5)0.046 (5)0.030 (4)0.000 (4)−0.003 (3)0.009 (4)
C3D0.053 (5)0.034 (4)0.033 (4)−0.008 (4)0.002 (4)−0.003 (4)
C3E0.039 (4)0.040 (4)0.030 (4)0.002 (4)−0.002 (3)0.007 (4)
C3F0.028 (4)0.041 (4)0.030 (4)−0.001 (3)0.006 (3)0.009 (3)
C3G0.039 (4)0.052 (5)0.019 (4)0.008 (4)0.004 (3)0.004 (3)
C3H0.030 (4)0.039 (5)0.035 (4)−0.002 (3)0.002 (3)0.003 (4)
C40.027 (4)0.042 (5)0.047 (5)−0.005 (3)0.010 (3)−0.012 (4)
C4A0.037 (4)0.039 (4)0.045 (5)0.003 (3)0.004 (4)−0.001 (4)
C4C0.034 (4)0.045 (5)0.026 (4)0.003 (3)0.004 (3)0.011 (3)
C4D0.042 (4)0.025 (4)0.033 (4)0.005 (3)0.014 (3)0.002 (3)
C4E0.042 (4)0.032 (4)0.029 (4)−0.007 (3)0.004 (3)0.008 (3)
C4F0.022 (3)0.043 (5)0.036 (4)0.003 (3)0.006 (3)−0.002 (4)
C4G0.041 (4)0.058 (6)0.019 (4)0.005 (4)0.008 (3)−0.005 (4)
C4H0.027 (4)0.024 (4)0.040 (4)−0.005 (3)−0.002 (3)−0.004 (3)
C50.044 (5)0.076 (7)0.028 (4)−0.027 (5)0.001 (4)0.009 (4)
C5C0.029 (4)0.056 (5)0.023 (4)0.001 (4)0.004 (3)0.006 (4)
C5D0.047 (5)0.042 (5)0.026 (4)−0.003 (4)0.007 (4)−0.002 (4)
C5E0.043 (4)0.037 (5)0.032 (4)0.002 (4)−0.002 (3)0.008 (4)
C5F0.026 (4)0.049 (5)0.038 (5)0.008 (3)−0.004 (3)0.000 (4)
C5G0.025 (4)0.061 (6)0.024 (4)0.006 (4)0.006 (3)−0.004 (4)
C5H0.035 (4)0.023 (4)0.041 (5)−0.001 (3)−0.006 (3)−0.010 (3)
C05L0.027 (4)0.046 (5)0.043 (5)0.008 (4)0.004 (3)−0.002 (4)
C60.030 (4)0.082 (7)0.041 (5)−0.024 (4)0.016 (4)−0.023 (5)
C6C0.035 (4)0.053 (5)0.033 (4)0.001 (4)−0.005 (3)−0.008 (4)
C6D0.038 (4)0.040 (5)0.041 (5)−0.001 (4)0.008 (4)−0.001 (4)
C6E0.051 (5)0.031 (5)0.044 (5)−0.007 (4)−0.009 (4)0.010 (4)
C6F0.026 (4)0.065 (6)0.030 (4)−0.001 (4)0.003 (3)0.016 (4)
C6G0.038 (4)0.045 (5)0.033 (4)0.007 (4)0.005 (4)0.008 (4)
C6H0.067 (6)0.026 (4)0.029 (4)−0.004 (4)0.000 (4)−0.001 (3)
C70.031 (4)0.042 (5)0.023 (4)0.003 (3)0.008 (3)−0.006 (3)
C7A0.038 (4)0.033 (4)0.038 (5)0.000 (3)0.009 (4)−0.002 (4)
C7B0.034 (4)0.056 (6)0.046 (5)−0.012 (4)0.007 (4)0.012 (5)
C7C0.041 (5)0.055 (6)0.039 (5)0.000 (4)0.012 (4)0.009 (4)
C7D0.048 (5)0.031 (4)0.033 (4)0.002 (4)−0.003 (4)0.005 (3)
C7E0.050 (5)0.042 (5)0.027 (4)−0.002 (4)0.004 (4)0.010 (4)
C7G0.036 (4)0.062 (6)0.022 (4)−0.004 (4)0.007 (3)−0.012 (4)
C7H0.022 (3)0.033 (4)0.046 (5)−0.001 (3)−0.002 (3)−0.005 (4)
C80.032 (4)0.034 (4)0.032 (4)0.008 (3)0.000 (3)−0.009 (3)
C8A0.033 (4)0.064 (6)0.052 (6)−0.002 (4)0.013 (4)−0.007 (5)
C90.032 (4)0.041 (5)0.037 (4)−0.012 (3)0.002 (3)0.005 (4)
C120.031 (4)0.048 (5)0.028 (4)−0.007 (3)0.006 (3)−0.005 (4)
C12A0.040 (5)0.046 (5)0.058 (6)−0.005 (4)0.015 (4)0.008 (5)
C17A0.048 (5)0.027 (4)0.032 (4)−0.007 (3)−0.005 (3)−0.007 (3)
C18A0.073 (7)0.042 (5)0.043 (5)−0.023 (5)0.001 (5)−0.008 (4)
C22A0.078 (8)0.052 (7)0.076 (8)0.016 (6)−0.015 (6)−0.029 (6)
C26A0.067 (6)0.056 (6)0.027 (4)−0.009 (5)−0.002 (4)−0.015 (4)
C31A0.021 (3)0.027 (4)0.032 (4)0.006 (3)0.005 (3)−0.004 (3)
C32A0.042 (5)0.046 (5)0.043 (5)0.002 (4)0.016 (4)−0.012 (4)
C36A0.031 (4)0.037 (4)0.031 (4)0.003 (3)0.004 (3)0.002 (3)
C40A0.036 (4)0.031 (4)0.056 (5)0.004 (3)0.004 (4)−0.012 (4)
C45A0.039 (4)0.033 (4)0.027 (4)0.012 (3)−0.005 (3)0.000 (3)
C46A0.069 (7)0.054 (6)0.041 (5)0.021 (5)−0.014 (5)−0.015 (5)
C50A0.041 (5)0.047 (5)0.053 (6)0.021 (4)−0.008 (4)0.013 (4)
C54A0.062 (6)0.045 (5)0.057 (6)0.027 (5)0.026 (5)0.023 (5)
C17C0.026 (4)0.036 (4)0.018 (4)0.004 (3)−0.002 (3)0.008 (3)
C26C0.037 (7)0.075 (11)0.036 (6)−0.004 (6)−0.006 (5)0.011 (7)
F29C0.07 (2)0.15 (3)0.039 (18)−0.02 (3)−0.030 (17)0.02 (2)
F27C0.074 (12)0.065 (12)0.079 (13)−0.004 (10)−0.019 (10)0.011 (11)
F28C0.085 (13)0.078 (13)0.048 (11)0.022 (11)0.013 (10)−0.012 (10)
F21C0.045 (3)0.035 (5)0.039 (5)−0.013 (3)−0.012 (3)0.014 (3)
C18C0.032 (5)0.041 (5)0.030 (6)−0.005 (4)−0.013 (4)0.008 (5)
F20C0.11 (2)0.060 (16)0.052 (15)−0.008 (15)−0.012 (14)−0.018 (13)
F19C0.06 (3)0.05 (3)0.09 (3)0.004 (18)0.00 (2)0.03 (2)
C22C0.037 (5)0.039 (8)0.075 (8)0.001 (5)−0.001 (5)−0.011 (6)
F23C0.036 (12)0.039 (15)0.13 (3)0.004 (11)−0.012 (16)0.000 (18)
F25C0.031 (3)0.043 (4)0.090 (7)0.005 (3)0.017 (4)0.013 (4)
F24C0.046 (14)0.13 (3)0.13 (3)−0.019 (15)0.049 (16)−0.08 (2)
Geometric parameters (Å, º) top
Ag01—N1E2.272 (8)F20A—C18A1.349 (11)
Ag01—N1F2.383 (8)F21A—C18A1.352 (12)
Ag01—N1G2.238 (9)F23A—C22A1.379 (16)
Ag01—N1H2.280 (8)F24A—C22A1.349 (12)
Ag02—N1A2.240 (7)F25A—C22A1.298 (14)
Ag02—N1B2.371 (9)F27A—C26A1.318 (11)
Ag02—N1C2.207 (8)F28A—C26A1.337 (12)
Ag02—N1D2.252 (7)F29A—C26A1.361 (10)
Al1A—O2A1.724 (6)F33A—C32A1.303 (10)
Al1A—O16A1.737 (5)F34A—C32A1.349 (10)
Al1A—O30A1.726 (5)F35A—C32A1.334 (10)
Al1A—O44A1.718 (5)F37A—C36A1.343 (9)
Al1B—O2B1.722 (5)F38A—C36A1.354 (9)
Al1B—O16B1.721 (5)F39A—C36A1.317 (9)
Al1B—O30B1.723 (5)F41A—C40A1.331 (10)
Al1B—O44B1.705 (5)F42A—C40A1.366 (11)
F5B—C4B1.328 (10)F43A—C40A1.322 (10)
F6B—C4B1.319 (9)F47A—C46A1.317 (11)
F7B—C4B1.343 (10)F48A—C46A1.363 (13)
F9B—C8B1.349 (10)F49A—C46A1.255 (14)
F10B—C8B1.324 (10)F51A—C50A1.287 (12)
F11B—C8B1.334 (9)F52A—C50A1.333 (11)
F13B—C12B1.339 (10)F53A—C50A1.280 (12)
F14B—C12B1.318 (10)F55A—C54A1.345 (13)
F15B—C12B1.345 (9)F56A—C54A1.291 (11)
F19B—C18B1.358 (14)F57A—C54A1.359 (11)
F20B—C18B1.302 (18)O2A—C3A1.364 (9)
F21B—C18B1.331 (12)O16A—C17A1.345 (9)
F23B—C22B1.304 (16)O30A—C31A1.352 (8)
F24B—C22B1.338 (17)O44A—C45A1.352 (9)
F25B—C22B1.371 (13)N1A—C7A1.157 (11)
F27B—C26B1.347 (16)N1B—C7B1.124 (13)
F28B—C26B1.357 (16)N1C—C7C1.156 (12)
F29B—C26B1.303 (14)N1D—C7D1.147 (11)
F33B—C32B1.325 (10)N1E—C7E1.129 (12)
F34B—C32B1.341 (10)N1F—C05L1.136 (12)
F35B—C32B1.321 (10)N1G—C7G1.129 (12)
F37B—C36B1.351 (11)N1H—C7H1.137 (11)
F38B—C36B1.346 (10)C1—C2A1.366 (13)
F39B—C36B1.298 (12)C1—C31.377 (13)
F41B—C40B1.355 (9)C1C—C2C1.380 (13)
F42B—C40B1.341 (12)C1C—C6C1.382 (12)
F43B—C40B1.311 (11)C1D—C2D1.361 (13)
F47B—C46B1.361 (10)C1D—C6D1.388 (12)
F48B—C46B1.293 (11)C1E—C2E1.380 (13)
F49B—C46B1.342 (11)C1E—C6E1.380 (14)
F51B—C50B1.335 (11)C1F—C2F1.401 (12)
F52B—C50B1.344 (13)C1F—C6F1.359 (13)
F53B—C50B1.327 (12)C1G—C2G1.366 (15)
F55B—C54B1.361 (15)C1G—C6G1.391 (12)
F56B—C54B1.306 (13)C1H—C2H1.381 (12)
F57B—C54B1.321 (11)C1H—C6H1.420 (12)
O2B—C3B1.350 (8)C2—C31.348 (12)
O16B—C17B1.362 (10)C2—C81.407 (12)
O16B—C17C1.32 (2)C2A—C71.358 (12)
O30B—C31B1.351 (8)C2B—C41.387 (12)
O44B—C45B1.361 (9)C2B—C121.365 (12)
C3B—C4B1.541 (11)C2C—C3C1.379 (12)
C3B—C8B1.561 (11)C2D—C3D1.389 (13)
C3B—C12B1.546 (10)C2E—C3E1.377 (12)
C17B—C18B1.546 (14)C2F—C3F1.380 (12)
C17B—C22B1.534 (14)C2G—C3G1.391 (14)
C17B—C26B1.559 (14)C2H—C3H1.349 (12)
C31B—C32B1.561 (11)C3A—C4A1.559 (11)
C31B—C36B1.544 (11)C3A—C8A1.514 (12)
C31B—C40B1.531 (12)C3A—C12A1.548 (12)
C45B—C46B1.564 (12)C3C—C4C1.376 (12)
C45B—C50B1.535 (13)C3D—C4D1.385 (12)
C45B—C54B1.541 (13)C3E—C4E1.394 (12)
F00S—C2F1.315 (9)C3F—C4F1.390 (12)
F1—C21.340 (9)C3G—C4G1.389 (12)
F1A—C11.345 (9)C3H—C4H1.390 (11)
F1B—C41.311 (11)C4—C61.394 (14)
F1C—C1C1.331 (10)C4C—C5C1.400 (13)
F1D—C1D1.322 (10)C4C—C7C1.409 (13)
F1E—C1E1.309 (10)C4D—C5D1.400 (12)
F1F—C1F1.318 (10)C4D—C7D1.425 (12)
F1G—C1G1.325 (11)C4E—C5E1.386 (12)
F1H—C1H1.327 (9)C4E—C7E1.438 (12)
F2—C31.341 (10)C4F—C5F1.380 (12)
F2A—C2A1.334 (10)C4F—C05L1.444 (13)
F2B—C2B1.324 (10)C4G—C5G1.380 (13)
F2C—C2C1.320 (9)C4G—C7G1.436 (13)
F2D—C2D1.344 (10)C4H—C5H1.414 (12)
F2E—C2E1.326 (10)C4H—C7H1.427 (12)
F2G—C2G1.332 (10)C5—C61.352 (15)
F2H—C2H1.338 (10)C5—C91.388 (13)
F3A—C71.336 (10)C5C—C6C1.352 (13)
F3B—C121.326 (9)C5D—C6D1.380 (12)
F3C—C3C1.334 (11)C5E—C6E1.382 (12)
F3D—C3D1.338 (10)C5F—C6F1.392 (13)
F3E—C3E1.315 (9)C5G—C6G1.381 (13)
F3F—C3F1.318 (9)C5H—C6H1.351 (13)
F3G—C3G1.320 (10)C7—C81.397 (11)
F3H—C3H1.338 (10)C7A—C81.406 (12)
F5A—C4A1.322 (10)C7B—C91.448 (14)
F5C—C5C1.342 (9)C9—C121.398 (12)
F5D—C5D1.326 (10)C17A—C18A1.531 (14)
F5E—C5E1.326 (10)C17A—C22A1.524 (14)
F5F—C5F1.307 (10)C17A—C26A1.553 (13)
F5G—C5G1.332 (9)C31A—C32A1.553 (12)
F5H—C5H1.306 (9)C31A—C36A1.555 (10)
F6A—C4A1.317 (10)C31A—C40A1.529 (11)
F6C—C6C1.345 (11)C45A—C46A1.557 (12)
F6D—C6D1.323 (10)C45A—C50A1.552 (11)
F6E—C6E1.308 (11)C45A—C54A1.547 (13)
F6F—C6F1.340 (10)C17C—C26C1.54 (3)
F6G—C6G1.327 (10)C17C—C18C1.54 (2)
F6H—C6H1.319 (10)C17C—C22C1.54 (2)
F7A—C4A1.357 (10)C26C—F29C1.31 (3)
F9A—C8A1.369 (12)C26C—F27C1.35 (3)
F10A—C8A1.370 (11)C26C—F28C1.37 (3)
F11A—C8A1.325 (11)F21C—C18C1.34 (2)
F13A—C12A1.360 (11)C18C—F20C1.30 (3)
F14A—C12A1.350 (10)C18C—F19C1.35 (3)
F15A—C12A1.296 (12)C22C—F23C1.31 (3)
F18—C51.336 (11)C22C—F25C1.37 (2)
F19A—C18A1.345 (13)C22C—F24C1.36 (3)
F20—C61.333 (11)
N1E—Ag01—N1F94.5 (3)C2F—C3F—C4F120.4 (7)
N1E—Ag01—N1H110.0 (3)F3G—C3G—C2G119.9 (8)
N1G—Ag01—N1E120.3 (3)F3G—C3G—C4G120.2 (8)
N1G—Ag01—N1F113.0 (3)C4G—C3G—C2G119.8 (8)
N1G—Ag01—N1H113.2 (3)F3H—C3H—C2H120.9 (7)
N1H—Ag01—N1F103.1 (3)F3H—C3H—C4H117.5 (7)
N1A—Ag02—N1B98.1 (3)C2H—C3H—C4H121.5 (8)
N1A—Ag02—N1D110.3 (3)F1B—C4—C2B119.8 (9)
N1C—Ag02—N1A119.7 (3)F1B—C4—C6120.9 (8)
N1C—Ag02—N1B110.0 (3)C2B—C4—C6119.3 (8)
N1C—Ag02—N1D113.9 (3)F5A—C4A—F7A107.7 (7)
N1D—Ag02—N1B102.3 (3)F5A—C4A—C3A110.1 (6)
O2A—Al1A—O16A107.0 (3)F6A—C4A—F5A109.0 (7)
O2A—Al1A—O30A112.8 (3)F6A—C4A—F7A107.6 (7)
O30A—Al1A—O16A108.3 (3)F6A—C4A—C3A112.7 (7)
O44A—Al1A—O2A106.8 (3)F7A—C4A—C3A109.5 (7)
O44A—Al1A—O16A114.9 (3)C3C—C4C—C5C117.8 (8)
O44A—Al1A—O30A107.2 (3)C3C—C4C—C7C121.9 (9)
O2B—Al1B—O30B107.3 (3)C5C—C4C—C7C120.2 (8)
O16B—Al1B—O2B107.6 (3)C3D—C4D—C5D118.4 (7)
O16B—Al1B—O30B110.7 (3)C3D—C4D—C7D120.6 (8)
O44B—Al1B—O2B114.1 (3)C5D—C4D—C7D120.9 (8)
O44B—Al1B—O16B109.0 (3)C3E—C4E—C7E121.0 (8)
O44B—Al1B—O30B108.2 (3)C5E—C4E—C3E119.1 (8)
C3B—O2B—Al1B148.9 (5)C5E—C4E—C7E119.8 (8)
C17B—O16B—Al1B145.3 (5)C3F—C4F—C05L118.4 (8)
C17C—O16B—Al1B156.4 (11)C5F—C4F—C3F120.2 (8)
C31B—O30B—Al1B147.7 (5)C5F—C4F—C05L121.1 (8)
C45B—O44B—Al1B149.9 (5)C3G—C4G—C7G120.4 (8)
O2B—C3B—C4B111.5 (6)C5G—C4G—C3G119.3 (8)
O2B—C3B—C8B107.8 (6)C5G—C4G—C7G120.1 (8)
O2B—C3B—C12B110.6 (6)C3H—C4H—C5H117.6 (7)
C4B—C3B—C8B108.0 (6)C3H—C4H—C7H121.3 (8)
C4B—C3B—C12B109.5 (6)C5H—C4H—C7H120.9 (7)
C12B—C3B—C8B109.4 (6)F18—C5—C6119.7 (9)
F5B—C4B—F7B107.5 (6)F18—C5—C9119.0 (9)
F5B—C4B—C3B113.3 (7)C6—C5—C9121.3 (9)
F6B—C4B—F5B107.5 (7)F5C—C5C—C4C119.1 (8)
F6B—C4B—F7B106.2 (7)F5C—C5C—C6C120.1 (8)
F6B—C4B—C3B111.1 (6)C6C—C5C—C4C120.8 (8)
F7B—C4B—C3B110.9 (7)F5D—C5D—C4D119.1 (7)
F9B—C8B—C3B110.0 (7)F5D—C5D—C6D120.3 (8)
F10B—C8B—F9B107.0 (7)C6D—C5D—C4D120.5 (8)
F10B—C8B—F11B107.7 (7)F5E—C5E—C4E119.4 (8)
F10B—C8B—C3B111.6 (7)F5E—C5E—C6E119.6 (8)
F11B—C8B—F9B107.2 (7)C6E—C5E—C4E121.0 (8)
F11B—C8B—C3B113.1 (7)F5F—C5F—C4F120.7 (8)
F13B—C12B—F15B107.4 (6)F5F—C5F—C6F120.0 (8)
F13B—C12B—C3B110.3 (6)C4F—C5F—C6F119.2 (8)
F14B—C12B—F13B107.8 (7)F5G—C5G—C4G120.1 (8)
F14B—C12B—F15B107.9 (7)F5G—C5G—C6G118.9 (8)
F14B—C12B—C3B111.0 (6)C4G—C5G—C6G121.0 (7)
F15B—C12B—C3B112.3 (6)F5H—C5H—C4H118.5 (8)
O16B—C17B—C18B114.1 (8)F5H—C5H—C6H120.2 (8)
O16B—C17B—C22B109.7 (8)C6H—C5H—C4H121.3 (8)
O16B—C17B—C26B107.3 (8)N1F—C05L—C4F176.0 (10)
C18B—C17B—C26B106.8 (9)F20—C6—C4118.5 (10)
C22B—C17B—C18B110.9 (9)F20—C6—C5121.2 (10)
C22B—C17B—C26B107.7 (9)C5—C6—C4120.3 (8)
F19B—C18B—C17B109.8 (9)F6C—C6C—C1C120.2 (8)
F20B—C18B—F19B106.4 (10)F6C—C6C—C5C119.5 (8)
F20B—C18B—F21B109.4 (12)C5C—C6C—C1C120.2 (9)
F20B—C18B—C17B111.1 (12)F6D—C6D—C1D119.4 (8)
F21B—C18B—F19B104.6 (9)F6D—C6D—C5D120.6 (8)
F21B—C18B—C17B115.1 (8)C5D—C6D—C1D120.0 (8)
F23B—C22B—F24B107.6 (12)F6E—C6E—C1E120.1 (8)
F23B—C22B—F25B108.1 (10)F6E—C6E—C5E120.9 (9)
F23B—C22B—C17B114.4 (11)C1E—C6E—C5E118.9 (9)
F24B—C22B—F25B105.0 (11)F6F—C6F—C1F119.6 (8)
F24B—C22B—C17B109.5 (10)F6F—C6F—C5F119.6 (8)
F25B—C22B—C17B111.6 (9)C1F—C6F—C5F120.7 (8)
F27B—C26B—F28B105.8 (11)F6G—C6G—C1G119.5 (8)
F27B—C26B—C17B110.2 (10)F6G—C6G—C5G121.4 (8)
F28B—C26B—C17B110.6 (10)C5G—C6G—C1G119.1 (8)
F29B—C26B—F27B107.0 (11)F6H—C6H—C1H117.5 (8)
F29B—C26B—F28B107.5 (12)F6H—C6H—C5H122.9 (9)
F29B—C26B—C17B115.2 (11)C5H—C6H—C1H119.6 (8)
O30B—C31B—C32B107.4 (6)F3A—C7—C2A119.9 (8)
O30B—C31B—C36B108.8 (6)F3A—C7—C8118.2 (7)
O30B—C31B—C40B112.1 (6)C2A—C7—C8121.8 (8)
C36B—C31B—C32B107.9 (6)N1A—C7A—C8178.9 (10)
C40B—C31B—C32B109.8 (7)N1B—C7B—C9176.3 (10)
C40B—C31B—C36B110.9 (7)N1C—C7C—C4C178.4 (11)
F33B—C32B—F34B108.1 (7)N1D—C7D—C4D179.2 (10)
F33B—C32B—C31B110.4 (7)N1E—C7E—C4E178.0 (10)
F34B—C32B—C31B111.9 (7)N1G—C7G—C4G179.7 (10)
F35B—C32B—F33B108.0 (7)N1H—C7H—C4H176.4 (9)
F35B—C32B—F34B106.8 (7)C7—C8—C2116.4 (7)
F35B—C32B—C31B111.3 (7)C7—C8—C7A121.8 (8)
F37B—C36B—C31B108.9 (7)C7A—C8—C2121.8 (7)
F38B—C36B—F37B106.5 (7)F9A—C8A—F10A106.6 (8)
F38B—C36B—C31B112.3 (7)F9A—C8A—C3A109.6 (8)
F39B—C36B—F37B106.9 (8)F10A—C8A—C3A110.7 (7)
F39B—C36B—F38B109.0 (7)F11A—C8A—F9A106.4 (8)
F39B—C36B—C31B113.0 (7)F11A—C8A—F10A106.9 (8)
F41B—C40B—C31B112.5 (7)F11A—C8A—C3A116.1 (8)
F42B—C40B—F41B105.6 (8)C5—C9—C7B122.8 (8)
F42B—C40B—C31B111.3 (7)C5—C9—C12118.1 (8)
F43B—C40B—F41B107.8 (8)C12—C9—C7B119.0 (8)
F43B—C40B—F42B107.9 (8)F3B—C12—C2B119.5 (8)
F43B—C40B—C31B111.4 (7)F3B—C12—C9119.5 (8)
O44B—C45B—C46B109.5 (6)C2B—C12—C9121.0 (8)
O44B—C45B—C50B109.2 (7)F13A—C12A—C3A108.6 (7)
O44B—C45B—C54B111.4 (7)F14A—C12A—F13A105.3 (8)
C50B—C45B—C46B107.5 (7)F14A—C12A—C3A112.1 (7)
C50B—C45B—C54B111.2 (8)F15A—C12A—F13A110.3 (8)
C54B—C45B—C46B107.9 (8)F15A—C12A—F14A108.2 (8)
F47B—C46B—C45B111.3 (7)F15A—C12A—C3A112.1 (8)
F48B—C46B—F47B107.7 (7)O16A—C17A—C18A107.9 (7)
F48B—C46B—F49B107.0 (8)O16A—C17A—C22A110.6 (7)
F48B—C46B—C45B112.4 (7)O16A—C17A—C26A111.0 (7)
F49B—C46B—F47B107.5 (7)C18A—C17A—C26A108.0 (8)
F49B—C46B—C45B110.8 (7)C22A—C17A—C18A110.3 (8)
F51B—C50B—F52B106.7 (9)C22A—C17A—C26A109.1 (8)
F51B—C50B—C45B113.3 (9)F19A—C18A—F20A108.6 (8)
F52B—C50B—C45B111.5 (8)F19A—C18A—F21A105.5 (9)
F53B—C50B—F51B106.9 (8)F19A—C18A—C17A111.7 (8)
F53B—C50B—F52B106.7 (9)F20A—C18A—F21A105.2 (8)
F53B—C50B—C45B111.4 (8)F20A—C18A—C17A114.3 (9)
F55B—C54B—C45B108.4 (10)F21A—C18A—C17A110.9 (8)
F56B—C54B—F55B107.3 (9)F23A—C22A—C17A109.0 (10)
F56B—C54B—F57B109.9 (10)F24A—C22A—F23A107.3 (10)
F56B—C54B—C45B112.2 (8)F24A—C22A—C17A114.1 (9)
F57B—C54B—F55B106.1 (9)F25A—C22A—F23A105.7 (10)
F57B—C54B—C45B112.6 (8)F25A—C22A—F24A108.0 (10)
C3A—O2A—Al1A148.3 (5)F25A—C22A—C17A112.3 (9)
C17A—O16A—Al1A146.7 (5)F27A—C26A—F28A109.7 (9)
C31A—O30A—Al1A148.0 (5)F27A—C26A—F29A106.3 (8)
C45A—O44A—Al1A149.1 (5)F27A—C26A—C17A111.2 (7)
C7A—N1A—Ag02171.7 (7)F28A—C26A—F29A107.2 (8)
C7B—N1B—Ag02144.8 (8)F28A—C26A—C17A110.9 (8)
C7C—N1C—Ag02173.1 (7)F29A—C26A—C17A111.3 (8)
C7D—N1D—Ag02177.0 (7)O30A—C31A—C32A110.4 (6)
C7E—N1E—Ag01174.8 (8)O30A—C31A—C36A111.3 (6)
C05L—N1F—Ag01148.3 (7)O30A—C31A—C40A108.1 (6)
C7G—N1G—Ag01165.4 (7)C32A—C31A—C36A107.9 (6)
C7H—N1H—Ag01173.4 (7)C40A—C31A—C32A109.4 (7)
F1A—C1—C2A119.5 (8)C40A—C31A—C36A109.6 (6)
F1A—C1—C3119.4 (8)F33A—C32A—F34A106.2 (8)
C2A—C1—C3121.1 (8)F33A—C32A—F35A109.2 (7)
F1C—C1C—C2C120.3 (8)F33A—C32A—C31A112.3 (7)
F1C—C1C—C6C118.9 (8)F34A—C32A—C31A109.0 (7)
C2C—C1C—C6C120.8 (8)F35A—C32A—F34A107.3 (7)
F1D—C1D—C2D120.6 (8)F35A—C32A—C31A112.6 (7)
F1D—C1D—C6D119.4 (8)F37A—C36A—F38A106.9 (6)
C2D—C1D—C6D120.0 (8)F37A—C36A—C31A112.0 (6)
F1E—C1E—C2E119.7 (9)F38A—C36A—C31A111.7 (6)
F1E—C1E—C6E119.2 (9)F39A—C36A—F37A107.8 (6)
C6E—C1E—C2E121.1 (8)F39A—C36A—F38A107.9 (6)
F1F—C1F—C2F119.1 (8)F39A—C36A—C31A110.4 (6)
F1F—C1F—C6F120.4 (8)F41A—C40A—F42A105.0 (7)
C6F—C1F—C2F120.5 (8)F41A—C40A—C31A112.2 (7)
F1G—C1G—C2G119.8 (8)F42A—C40A—C31A109.2 (7)
F1G—C1G—C6G119.8 (10)F43A—C40A—F41A107.3 (7)
C2G—C1G—C6G120.4 (9)F43A—C40A—F42A107.3 (7)
F1H—C1H—C2H121.4 (7)F43A—C40A—C31A115.3 (7)
F1H—C1H—C6H119.7 (8)O44A—C45A—C46A111.4 (7)
C2H—C1H—C6H118.9 (7)O44A—C45A—C50A107.5 (6)
F1—C2—C3119.9 (8)O44A—C45A—C54A110.5 (7)
F1—C2—C8118.2 (8)C50A—C45A—C46A111.0 (7)
C3—C2—C8121.9 (8)C54A—C45A—C46A107.5 (8)
F2A—C2A—C1120.3 (8)C54A—C45A—C50A108.9 (7)
F2A—C2A—C7120.4 (9)F47A—C46A—F48A105.0 (8)
C7—C2A—C1119.3 (8)F47A—C46A—C45A112.9 (8)
F2B—C2B—C4119.0 (8)F48A—C46A—C45A110.2 (9)
F2B—C2B—C12121.1 (7)F49A—C46A—F47A109.6 (10)
C12—C2B—C4119.9 (8)F49A—C46A—F48A107.8 (10)
F2C—C2C—C1C120.5 (8)F49A—C46A—C45A111.1 (9)
F2C—C2C—C3C121.4 (8)F51A—C50A—F52A103.2 (9)
C3C—C2C—C1C118.0 (8)F51A—C50A—C45A109.2 (8)
F2D—C2D—C1D119.9 (8)F52A—C50A—C45A111.9 (8)
F2D—C2D—C3D119.5 (8)F53A—C50A—F51A113.5 (10)
C1D—C2D—C3D120.5 (8)F53A—C50A—F52A107.2 (8)
F2E—C2E—C1E119.9 (8)F53A—C50A—C45A111.5 (7)
F2E—C2E—C3E120.3 (8)F55A—C54A—F57A100.2 (9)
C3E—C2E—C1E119.8 (8)F55A—C54A—C45A112.1 (7)
F00S—C2F—C1F119.9 (8)F56A—C54A—F55A104.3 (8)
F00S—C2F—C3F121.1 (8)F56A—C54A—F57A109.8 (8)
C3F—C2F—C1F118.9 (8)F56A—C54A—C45A116.3 (10)
F2G—C2G—C1G119.4 (9)F57A—C54A—C45A112.6 (7)
F2G—C2G—C3G120.1 (9)O16B—C17C—C26C110.0 (19)
C1G—C2G—C3G120.3 (8)O16B—C17C—C18C108.4 (17)
F2H—C2H—C1H117.4 (7)O16B—C17C—C22C107.9 (18)
F2H—C2H—C3H121.7 (8)C26C—C17C—C18C109 (2)
C3H—C2H—C1H121.0 (8)C26C—C17C—C22C112.0 (19)
F2—C3—C1119.5 (8)C18C—C17C—C22C110 (2)
F2—C3—C2121.2 (8)F29C—C26C—C17C114 (3)
C2—C3—C1119.3 (8)F29C—C26C—F27C107 (3)
O2A—C3A—C4A112.0 (6)F29C—C26C—F28C106 (3)
O2A—C3A—C8A110.9 (7)F27C—C26C—C17C111 (2)
O2A—C3A—C12A108.6 (6)F27C—C26C—F28C108 (3)
C8A—C3A—C4A108.1 (6)F28C—C26C—C17C112 (2)
C8A—C3A—C12A110.3 (7)F21C—C18C—C17C106 (2)
C12A—C3A—C4A106.8 (7)F21C—C18C—F19C111 (3)
F3C—C3C—C2C117.9 (8)F20C—C18C—C17C113 (2)
F3C—C3C—C4C119.8 (8)F20C—C18C—F21C108 (3)
C4C—C3C—C2C122.3 (9)F20C—C18C—F19C107 (3)
F3D—C3D—C2D119.6 (8)F19C—C18C—C17C112 (3)
F3D—C3D—C4D119.9 (8)F23C—C22C—C17C112 (3)
C4D—C3D—C2D120.5 (8)F23C—C22C—F25C107 (3)
F3E—C3E—C2E120.9 (8)F23C—C22C—F24C107 (3)
F3E—C3E—C4E118.9 (7)F25C—C22C—C17C107 (2)
C2E—C3E—C4E120.1 (8)F24C—C22C—C17C107 (2)
F3F—C3F—C2F119.3 (8)F24C—C22C—F25C117 (3)
F3F—C3F—C4F120.4 (8)
Al1A—O2A—C3A—C4A5.1 (12)O2A—C3A—C4A—F6A−165.9 (6)
Al1A—O2A—C3A—C8A125.9 (9)O2A—C3A—C4A—F7A74.4 (8)
Al1A—O2A—C3A—C12A−112.7 (9)O2A—C3A—C8A—F9A−43.6 (9)
Al1A—O16A—C17A—C18A−168.2 (7)O2A—C3A—C8A—F10A73.7 (9)
Al1A—O16A—C17A—C22A71.1 (12)O2A—C3A—C8A—F11A−164.2 (8)
Al1A—O16A—C17A—C26A−50.1 (13)O2A—C3A—C12A—F13A−47.4 (9)
Al1A—O30A—C31A—C32A86.1 (10)O2A—C3A—C12A—F14A−163.4 (7)
Al1A—O30A—C31A—C36A−33.7 (12)O2A—C3A—C12A—F15A74.7 (9)
Al1A—O30A—C31A—C40A−154.2 (8)O16A—Al1A—O2A—C3A−171.5 (9)
Al1A—O44A—C45A—C46A−74.4 (13)O16A—Al1A—O30A—C31A−25.8 (10)
Al1A—O44A—C45A—C50A163.8 (8)O16A—Al1A—O44A—C45A−78.8 (11)
Al1A—O44A—C45A—C54A45.1 (13)O16A—C17A—C18A—F19A76.5 (9)
Al1B—O2B—C3B—C4B−68.1 (11)O16A—C17A—C18A—F20A−159.6 (8)
Al1B—O2B—C3B—C8B173.5 (7)O16A—C17A—C18A—F21A−40.9 (10)
Al1B—O2B—C3B—C12B53.9 (12)O16A—C17A—C22A—F23A73.8 (10)
Al1B—O16B—C17B—C18B−27.7 (15)O16A—C17A—C22A—F24A−166.3 (10)
Al1B—O16B—C17B—C22B97.4 (12)O16A—C17A—C22A—F25A−43.1 (13)
Al1B—O16B—C17B—C26B−145.9 (9)O16A—C17A—C26A—F27A−40.6 (10)
Al1B—O16B—C17C—C26C−155 (2)O16A—C17A—C26A—F28A81.8 (9)
Al1B—O16B—C17C—C18C−36 (4)O16A—C17A—C26A—F29A−158.9 (8)
Al1B—O16B—C17C—C22C83 (3)O30A—Al1A—O2A—C3A69.7 (9)
Al1B—O30B—C31B—C32B129.5 (8)O30A—Al1A—O16A—C17A154.3 (9)
Al1B—O30B—C31B—C36B−114.0 (9)O30A—Al1A—O44A—C45A41.6 (11)
Al1B—O30B—C31B—C40B8.9 (13)O30A—C31A—C32A—F33A−46.8 (9)
Al1B—O44B—C45B—C46B−61.8 (13)O30A—C31A—C32A—F34A70.6 (8)
Al1B—O44B—C45B—C50B−179.2 (8)O30A—C31A—C32A—F35A−170.5 (7)
Al1B—O44B—C45B—C54B57.5 (14)O30A—C31A—C36A—F37A82.6 (7)
O2B—Al1B—O16B—C17B−25.1 (11)O30A—C31A—C36A—F38A−157.5 (6)
O2B—Al1B—O16B—C17C−37 (3)O30A—C31A—C36A—F39A−37.4 (9)
O2B—Al1B—O30B—C31B−168.7 (9)O30A—C31A—C40A—F41A−40.3 (9)
O2B—Al1B—O44B—C45B−76.1 (11)O30A—C31A—C40A—F42A75.7 (8)
O2B—C3B—C4B—F5B−161.6 (6)O30A—C31A—C40A—F43A−163.5 (7)
O2B—C3B—C4B—F6B−40.4 (9)O44A—Al1A—O2A—C3A−47.9 (10)
O2B—C3B—C4B—F7B77.5 (8)O44A—Al1A—O16A—C17A−85.9 (10)
O2B—C3B—C8B—F9B−42.4 (8)O44A—Al1A—O30A—C31A−150.3 (9)
O2B—C3B—C8B—F10B76.1 (8)O44A—C45A—C46A—F47A−167.5 (8)
O2B—C3B—C8B—F11B−162.2 (7)O44A—C45A—C46A—F48A75.4 (10)
O2B—C3B—C12B—F13B73.9 (8)O44A—C45A—C46A—F49A−43.9 (11)
O2B—C3B—C12B—F14B−45.5 (9)O44A—C45A—C50A—F51A76.3 (10)
O2B—C3B—C12B—F15B−166.4 (6)O44A—C45A—C50A—F52A−170.0 (8)
O16B—Al1B—O2B—C3B161.5 (9)O44A—C45A—C50A—F53A−50.0 (10)
O16B—Al1B—O30B—C31B74.2 (10)O44A—C45A—C54A—F55A69.0 (9)
O16B—Al1B—O44B—C45B44.1 (11)O44A—C45A—C54A—F56A−171.1 (8)
O16B—C17B—C18B—F19B81.0 (10)O44A—C45A—C54A—F57A−43.1 (11)
O16B—C17B—C18B—F20B−36.4 (14)C1—C2A—C7—F3A−178.4 (8)
O16B—C17B—C18B—F21B−161.4 (10)C1—C2A—C7—C8−1.9 (12)
O16B—C17B—C22B—F23B71.7 (13)C1C—C2C—C3C—F3C179.7 (7)
O16B—C17B—C22B—F24B−49.2 (12)C1C—C2C—C3C—C4C−0.9 (12)
O16B—C17B—C22B—F25B−165.1 (10)C1D—C2D—C3D—F3D177.4 (8)
O16B—C17B—C26B—F27B−39.9 (13)C1D—C2D—C3D—C4D−2.0 (14)
O16B—C17B—C26B—F28B76.7 (12)C1E—C2E—C3E—F3E−178.9 (7)
O16B—C17B—C26B—F29B−161.1 (11)C1E—C2E—C3E—C4E1.4 (12)
O16B—C17C—C26C—F29C160 (3)C1F—C2F—C3F—F3F177.8 (7)
O16B—C17C—C26C—F27C−79 (3)C1F—C2F—C3F—C4F−3.3 (11)
O16B—C17C—C26C—F28C41 (3)C1G—C2G—C3G—F3G179.6 (8)
O16B—C17C—C18C—F21C159 (2)C1G—C2G—C3G—C4G−4.4 (12)
O16B—C17C—C18C—F20C−83 (3)C1H—C2H—C3H—F3H179.7 (8)
O16B—C17C—C18C—F19C38 (3)C1H—C2H—C3H—C4H3.3 (13)
O16B—C17C—C22C—F23C45 (3)C2A—C1—C3—F2−178.8 (8)
O16B—C17C—C22C—F25C163 (2)C2A—C1—C3—C2−0.3 (12)
O16B—C17C—C22C—F24C−72 (3)C2A—C7—C8—C22.6 (11)
O30B—Al1B—O2B—C3B42.3 (10)C2A—C7—C8—C7A−176.0 (8)
O30B—Al1B—O16B—C17B91.9 (10)C2B—C4—C6—F20178.9 (7)
O30B—Al1B—O16B—C17C80 (3)C2B—C4—C6—C5−1.6 (12)
O30B—Al1B—O44B—C45B164.6 (10)C2C—C1C—C6C—F6C177.8 (8)
O30B—C31B—C32B—F33B−47.4 (9)C2C—C1C—C6C—C5C0.8 (13)
O30B—C31B—C32B—F34B−167.9 (6)C2C—C3C—C4C—C5C1.3 (12)
O30B—C31B—C32B—F35B72.6 (8)C2C—C3C—C4C—C7C−178.4 (8)
O30B—C31B—C36B—F37B79.7 (9)C2D—C1D—C6D—F6D−178.4 (8)
O30B—C31B—C36B—F38B−162.7 (7)C2D—C1D—C6D—C5D−1.4 (13)
O30B—C31B—C36B—F39B−38.9 (9)C2D—C3D—C4D—C5D2.4 (13)
O30B—C31B—C40B—F41B−167.4 (7)C2D—C3D—C4D—C7D179.2 (8)
O30B—C31B—C40B—F42B74.4 (9)C2E—C1E—C6E—F6E175.9 (8)
O30B—C31B—C40B—F43B−46.2 (10)C2E—C1E—C6E—C5E0.0 (13)
O44B—Al1B—O2B—C3B−77.5 (10)C2E—C3E—C4E—C5E−2.5 (12)
O44B—Al1B—O16B—C17B−149.3 (10)C2E—C3E—C4E—C7E179.1 (7)
O44B—Al1B—O16B—C17C−161 (3)C2F—C1F—C6F—F6F−179.8 (7)
O44B—Al1B—O30B—C31B−45.2 (10)C2F—C1F—C6F—C5F−0.7 (12)
O44B—C45B—C46B—F47B−163.0 (7)C2F—C3F—C4F—C5F3.5 (11)
O44B—C45B—C46B—F48B−42.1 (10)C2F—C3F—C4F—C05L177.8 (7)
O44B—C45B—C46B—F49B77.5 (9)C2G—C1G—C6G—F6G178.2 (8)
O44B—C45B—C50B—F51B−164.5 (8)C2G—C1G—C6G—C5G−0.1 (13)
O44B—C45B—C50B—F52B75.1 (9)C2G—C3G—C4G—C5G3.0 (11)
O44B—C45B—C50B—F53B−43.9 (11)C2G—C3G—C4G—C7G178.3 (7)
O44B—C45B—C54B—F55B78.2 (9)C2H—C1H—C6H—F6H−178.9 (8)
O44B—C45B—C54B—F56B−40.1 (12)C2H—C1H—C6H—C5H0.3 (12)
O44B—C45B—C54B—F57B−164.7 (9)C2H—C3H—C4H—C5H−1.6 (12)
C4B—C3B—C8B—F9B−163.1 (6)C2H—C3H—C4H—C7H−178.3 (8)
C4B—C3B—C8B—F10B−44.5 (8)C3—C1—C2A—F2A178.8 (8)
C4B—C3B—C8B—F11B77.2 (8)C3—C1—C2A—C70.7 (13)
C4B—C3B—C12B—F13B−162.8 (6)C3—C2—C8—C7−2.2 (12)
C4B—C3B—C12B—F14B77.7 (8)C3—C2—C8—C7A176.5 (8)
C4B—C3B—C12B—F15B−43.1 (9)C3C—C4C—C5C—F5C178.8 (7)
C8B—C3B—C4B—F5B−43.3 (8)C3C—C4C—C5C—C6C−0.6 (12)
C8B—C3B—C4B—F6B77.8 (8)C3D—C4D—C5D—F5D178.7 (8)
C8B—C3B—C4B—F7B−164.3 (6)C3D—C4D—C5D—C6D−2.3 (13)
C8B—C3B—C12B—F13B−44.7 (8)C3E—C4E—C5E—F5E−178.2 (7)
C8B—C3B—C12B—F14B−164.1 (7)C3E—C4E—C5E—C6E2.5 (12)
C8B—C3B—C12B—F15B75.0 (8)C3F—C4F—C5F—F5F180.0 (7)
C12B—C3B—C4B—F5B75.7 (8)C3F—C4F—C5F—C6F−2.3 (11)
C12B—C3B—C4B—F6B−163.1 (6)C3G—C4G—C5G—F5G179.0 (7)
C12B—C3B—C4B—F7B−45.2 (8)C3G—C4G—C5G—C6G−0.2 (12)
C12B—C3B—C8B—F9B77.8 (8)C3H—C4H—C5H—F5H179.3 (7)
C12B—C3B—C8B—F10B−163.6 (7)C3H—C4H—C5H—C6H−0.8 (12)
C12B—C3B—C8B—F11B−41.9 (9)C4—C2B—C12—F3B−178.4 (7)
C18B—C17B—C22B—F23B−161.3 (11)C4—C2B—C12—C9−0.5 (12)
C18B—C17B—C22B—F24B77.7 (11)C4A—C3A—C8A—F9A79.5 (8)
C18B—C17B—C22B—F25B−38.2 (14)C4A—C3A—C8A—F10A−163.1 (7)
C18B—C17B—C26B—F27B−162.7 (10)C4A—C3A—C8A—F11A−41.0 (11)
C18B—C17B—C26B—F28B−46.1 (12)C4A—C3A—C12A—F13A−168.4 (7)
C18B—C17B—C26B—F29B76.1 (14)C4A—C3A—C12A—F14A75.6 (9)
C22B—C17B—C18B—F19B−43.5 (11)C4A—C3A—C12A—F15A−46.3 (9)
C22B—C17B—C18B—F20B−160.9 (11)C4C—C5C—C6C—F6C−177.4 (8)
C22B—C17B—C18B—F21B74.1 (14)C4C—C5C—C6C—C1C−0.4 (13)
C22B—C17B—C26B—F27B78.1 (12)C4D—C5D—C6D—F6D178.9 (8)
C22B—C17B—C26B—F28B−165.2 (10)C4D—C5D—C6D—C1D1.8 (14)
C22B—C17B—C26B—F29B−43.1 (16)C4E—C5E—C6E—F6E−177.0 (8)
C26B—C17B—C18B—F19B−160.6 (8)C4E—C5E—C6E—C1E−1.2 (13)
C26B—C17B—C18B—F20B82.0 (12)C4F—C5F—C6F—F6F180.0 (7)
C26B—C17B—C18B—F21B−43.0 (14)C4F—C5F—C6F—C1F0.9 (12)
C26B—C17B—C22B—F23B−44.8 (14)C4G—C5G—C6G—F6G−179.5 (8)
C26B—C17B—C22B—F24B−165.7 (10)C4G—C5G—C6G—C1G−1.2 (12)
C26B—C17B—C22B—F25B78.4 (13)C4H—C5H—C6H—F6H−179.5 (7)
C32B—C31B—C36B—F37B−164.2 (7)C4H—C5H—C6H—C1H1.4 (12)
C32B—C31B—C36B—F38B−46.5 (10)C5—C9—C12—F3B178.7 (7)
C32B—C31B—C36B—F39B77.3 (8)C5—C9—C12—C2B0.9 (12)
C32B—C31B—C40B—F41B73.4 (10)C05L—C4F—C5F—F5F5.9 (12)
C32B—C31B—C40B—F42B−44.8 (9)C05L—C4F—C5F—C6F−176.4 (7)
C32B—C31B—C40B—F43B−165.4 (7)C6—C5—C9—C7B−179.0 (9)
C36B—C31B—C32B—F33B−164.5 (7)C6—C5—C9—C12−1.6 (13)
C36B—C31B—C32B—F34B75.0 (9)C6C—C1C—C2C—F2C177.4 (7)
C36B—C31B—C32B—F35B−44.4 (9)C6C—C1C—C2C—C3C−0.2 (12)
C36B—C31B—C40B—F41B−45.6 (10)C6D—C1D—C2D—F2D179.5 (8)
C36B—C31B—C40B—F42B−163.8 (6)C6D—C1D—C2D—C3D1.4 (13)
C36B—C31B—C40B—F43B75.6 (9)C6E—C1E—C2E—F2E177.3 (8)
C40B—C31B—C32B—F33B74.7 (8)C6E—C1E—C2E—C3E−0.1 (13)
C40B—C31B—C32B—F34B−45.9 (9)C6F—C1F—C2F—F00S178.7 (7)
C40B—C31B—C32B—F35B−165.3 (7)C6F—C1F—C2F—C3F1.9 (11)
C40B—C31B—C36B—F37B−44.0 (9)C6G—C1G—C2G—F2G177.7 (8)
C40B—C31B—C36B—F38B73.6 (9)C6G—C1G—C2G—C3G2.9 (13)
C40B—C31B—C36B—F39B−162.6 (7)C6H—C1H—C2H—F2H177.6 (8)
C46B—C45B—C50B—F51B76.9 (10)C6H—C1H—C2H—C3H−2.6 (13)
C46B—C45B—C50B—F52B−43.6 (10)C7B—C9—C12—F3B−3.8 (12)
C46B—C45B—C50B—F53B−162.6 (8)C7B—C9—C12—C2B178.3 (8)
C46B—C45B—C54B—F55B−161.6 (7)C7C—C4C—C5C—F5C−1.5 (11)
C46B—C45B—C54B—F56B80.1 (10)C7C—C4C—C5C—C6C179.1 (8)
C46B—C45B—C54B—F57B−44.5 (12)C7D—C4D—C5D—F5D1.9 (13)
C50B—C45B—C46B—F47B−44.5 (9)C7D—C4D—C5D—C6D−179.2 (8)
C50B—C45B—C46B—F48B76.4 (9)C7E—C4E—C5E—F5E0.2 (12)
C50B—C45B—C46B—F49B−164.0 (7)C7E—C4E—C5E—C6E−179.1 (8)
C50B—C45B—C54B—F55B−43.9 (10)C7G—C4G—C5G—F5G3.7 (11)
C50B—C45B—C54B—F56B−162.2 (9)C7G—C4G—C5G—C6G−175.5 (8)
C50B—C45B—C54B—F57B73.2 (13)C7H—C4H—C5H—F5H−4.0 (11)
C54B—C45B—C46B—F47B75.6 (9)C7H—C4H—C5H—C6H176.0 (8)
C54B—C45B—C46B—F48B−163.6 (8)C8—C2—C3—F2179.6 (7)
C54B—C45B—C46B—F49B−43.9 (9)C8—C2—C3—C11.1 (12)
C54B—C45B—C50B—F51B−41.1 (12)C8A—C3A—C4A—F5A−166.5 (7)
C54B—C45B—C50B—F52B−161.6 (8)C8A—C3A—C4A—F6A71.6 (9)
C54B—C45B—C50B—F53B79.4 (10)C8A—C3A—C4A—F7A−48.2 (9)
F00S—C2F—C3F—F3F1.1 (11)C8A—C3A—C12A—F13A74.3 (8)
F00S—C2F—C3F—C4F180.0 (7)C8A—C3A—C12A—F14A−41.6 (10)
F1—C2—C3—F2−0.8 (12)C8A—C3A—C12A—F15A−163.5 (7)
F1—C2—C3—C1−179.3 (7)C9—C5—C6—F20−178.5 (8)
F1—C2—C8—C7178.2 (7)C9—C5—C6—C42.0 (14)
F1—C2—C8—C7A−3.1 (12)C12—C2B—C4—F1B−179.2 (7)
F1A—C1—C2A—F2A−2.4 (12)C12—C2B—C4—C60.9 (12)
F1A—C1—C2A—C7179.5 (7)C12A—C3A—C4A—F5A74.9 (8)
F1A—C1—C3—F22.4 (12)C12A—C3A—C4A—F6A−47.1 (9)
F1A—C1—C3—C2−179.1 (7)C12A—C3A—C4A—F7A−166.8 (7)
F1B—C4—C6—F20−1.1 (12)C12A—C3A—C8A—F9A−164.0 (7)
F1B—C4—C6—C5178.5 (8)C12A—C3A—C8A—F10A−46.7 (10)
F1C—C1C—C2C—F2C−1.4 (12)C12A—C3A—C8A—F11A75.4 (10)
F1C—C1C—C2C—C3C−178.9 (7)C18A—C17A—C22A—F23A−45.5 (10)
F1C—C1C—C6C—F6C−3.4 (13)C18A—C17A—C22A—F24A74.4 (13)
F1C—C1C—C6C—C5C179.6 (8)C18A—C17A—C22A—F25A−162.3 (9)
F1D—C1D—C2D—F2D−0.3 (13)C18A—C17A—C26A—F27A77.4 (9)
F1D—C1D—C2D—C3D−178.4 (8)C18A—C17A—C26A—F28A−160.2 (8)
F1D—C1D—C6D—F6D1.3 (13)C18A—C17A—C26A—F29A−40.9 (11)
F1D—C1D—C6D—C5D178.4 (8)C22A—C17A—C18A—F19A−162.5 (8)
F1E—C1E—C2E—F2E−2.8 (12)C22A—C17A—C18A—F20A−38.7 (11)
F1E—C1E—C2E—C3E179.8 (8)C22A—C17A—C18A—F21A80.1 (10)
F1E—C1E—C6E—F6E−4.0 (13)C22A—C17A—C26A—F27A−162.8 (8)
F1E—C1E—C6E—C5E−179.9 (8)C22A—C17A—C26A—F28A−40.4 (10)
F1F—C1F—C2F—F00S−3.3 (11)C22A—C17A—C26A—F29A78.9 (10)
F1F—C1F—C2F—C3F180.0 (7)C26A—C17A—C18A—F19A−43.5 (10)
F1F—C1F—C6F—F6F2.2 (11)C26A—C17A—C18A—F20A80.4 (10)
F1F—C1F—C6F—C5F−178.8 (7)C26A—C17A—C18A—F21A−160.9 (8)
F1G—C1G—C2G—F2G−3.2 (12)C26A—C17A—C22A—F23A−163.9 (8)
F1G—C1G—C2G—C3G−178.0 (8)C26A—C17A—C22A—F24A−44.0 (14)
F1G—C1G—C6G—F6G−0.9 (13)C26A—C17A—C22A—F25A79.3 (11)
F1G—C1G—C6G—C5G−179.2 (8)C32A—C31A—C36A—F37A−38.6 (8)
F1H—C1H—C2H—F2H−2.2 (12)C32A—C31A—C36A—F38A81.3 (8)
F1H—C1H—C2H—C3H177.6 (8)C32A—C31A—C36A—F39A−158.7 (6)
F1H—C1H—C6H—F6H0.9 (12)C32A—C31A—C40A—F41A80.0 (8)
F1H—C1H—C6H—C5H−179.9 (7)C32A—C31A—C40A—F42A−164.0 (6)
F2A—C2A—C7—F3A3.5 (12)C32A—C31A—C40A—F43A−43.2 (10)
F2A—C2A—C7—C8180.0 (7)C36A—C31A—C32A—F33A75.0 (8)
F2B—C2B—C4—F1B0.7 (11)C36A—C31A—C32A—F34A−167.6 (6)
F2B—C2B—C4—C6−179.2 (7)C36A—C31A—C32A—F35A−48.7 (9)
F2B—C2B—C12—F3B1.7 (12)C36A—C31A—C40A—F41A−161.9 (7)
F2B—C2B—C12—C9179.5 (7)C36A—C31A—C40A—F42A−45.9 (8)
F2C—C2C—C3C—F3C2.2 (12)C36A—C31A—C40A—F43A74.9 (9)
F2C—C2C—C3C—C4C−178.4 (7)C40A—C31A—C32A—F33A−165.7 (7)
F2D—C2D—C3D—F3D−0.7 (13)C40A—C31A—C32A—F34A−48.3 (8)
F2D—C2D—C3D—C4D180.0 (8)C40A—C31A—C32A—F35A70.6 (9)
F2E—C2E—C3E—F3E3.7 (12)C40A—C31A—C36A—F37A−157.7 (6)
F2E—C2E—C3E—C4E−176.1 (7)C40A—C31A—C36A—F38A−37.8 (8)
F2G—C2G—C3G—F3G4.8 (12)C40A—C31A—C36A—F39A82.2 (8)
F2G—C2G—C3G—C4G−179.1 (7)C46A—C45A—C50A—F51A−45.8 (11)
F2H—C2H—C3H—F3H−0.5 (13)C46A—C45A—C50A—F52A67.9 (11)
F2H—C2H—C3H—C4H−176.9 (8)C46A—C45A—C50A—F53A−172.0 (8)
F3A—C7—C8—C2179.2 (7)C46A—C45A—C54A—F55A−169.2 (7)
F3A—C7—C8—C7A0.5 (11)C46A—C45A—C54A—F56A−49.3 (10)
F3C—C3C—C4C—C5C−179.4 (7)C46A—C45A—C54A—F57A78.7 (10)
F3C—C3C—C4C—C7C1.0 (13)C50A—C45A—C46A—F47A−47.8 (12)
F3D—C3D—C4D—C5D−177.0 (8)C50A—C45A—C46A—F48A−164.8 (8)
F3D—C3D—C4D—C7D−0.1 (13)C50A—C45A—C46A—F49A75.8 (10)
F3E—C3E—C4E—C5E177.7 (7)C50A—C45A—C54A—F55A−48.9 (10)
F3E—C3E—C4E—C7E−0.6 (12)C50A—C45A—C54A—F56A71.0 (10)
F3F—C3F—C4F—C5F−177.6 (7)C50A—C45A—C54A—F57A−160.9 (8)
F3F—C3F—C4F—C05L−3.4 (11)C54A—C45A—C46A—F47A71.2 (11)
F3G—C3G—C4G—C5G179.1 (7)C54A—C45A—C46A—F48A−45.8 (10)
F3G—C3G—C4G—C7G−5.6 (11)C54A—C45A—C46A—F49A−165.2 (9)
F3H—C3H—C4H—C5H−178.1 (7)C54A—C45A—C50A—F51A−164.0 (8)
F3H—C3H—C4H—C7H5.2 (12)C54A—C45A—C50A—F52A−50.3 (11)
F5C—C5C—C6C—F6C3.2 (12)C54A—C45A—C50A—F53A69.8 (10)
F5C—C5C—C6C—C1C−179.8 (7)C26C—C17C—C18C—F21C−81 (3)
F5D—C5D—C6D—F6D−2.2 (14)C26C—C17C—C18C—F20C37 (3)
F5D—C5D—C6D—C1D−179.2 (8)C26C—C17C—C18C—F19C157 (3)
F5E—C5E—C6E—F6E3.6 (13)C26C—C17C—C22C—F23C−76 (3)
F5E—C5E—C6E—C1E179.4 (8)C26C—C17C—C22C—F25C41 (3)
F5F—C5F—C6F—F6F−2.3 (12)C26C—C17C—C22C—F24C167 (2)
F5F—C5F—C6F—C1F178.7 (7)C18C—C17C—C26C—F29C42 (3)
F5G—C5G—C6G—F6G1.3 (12)C18C—C17C—C26C—F27C162 (2)
F5G—C5G—C6G—C1G179.5 (7)C18C—C17C—C26C—F28C−78 (3)
F5H—C5H—C6H—F6H0.5 (13)C18C—C17C—C22C—F23C163 (3)
F5H—C5H—C6H—C1H−178.7 (7)C18C—C17C—C22C—F25C−80 (3)
F18—C5—C6—F202.0 (13)C18C—C17C—C22C—F24C46 (3)
F18—C5—C6—C4−177.5 (8)C22C—C17C—C26C—F29C−80 (3)
F18—C5—C9—C7B0.6 (13)C22C—C17C—C26C—F27C41 (3)
F18—C5—C9—C12177.9 (8)C22C—C17C—C26C—F28C161 (3)
O2A—Al1A—O16A—C17A32.5 (10)C22C—C17C—C18C—F21C41 (3)
O2A—Al1A—O30A—C31A92.4 (9)C22C—C17C—C18C—F20C160 (2)
O2A—Al1A—O44A—C45A162.8 (10)C22C—C17C—C18C—F19C−80 (3)
O2A—C3A—C4A—F5A−43.9 (9)
 

Acknowledgements

We thank a reviewer for suggesting an improvement to modelling disorder in the anion.

Funding information

Funding for this research was provided by: Australian Research Council (grant No. DP240103289 to Graham E. Ball).

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