research communications
accessSynthesis and of tetrakis(perfluorobenzonitrile)silver(I) tetrakis(perfluoro-tert-butoxy)aluminate(1−): a perfluorinated silver(I) nitrile cation with a perfluorinated weakly coordinating anion
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]
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 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.
Keywords: silver complexes; nitrile ligands; perfluorobenzonitrile; weakly coordinating anions; perfluorinated salts; crystal structure.
CCDC reference: 2588967
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., 2017
). 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., 2005
).
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.
2. Structural commentary
The title complex crystallized in the 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
.
| Figure 1 The two crystallographically independent molecules (a) A and (b) B in the 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
a). The packing of molecules (Fig. 2
b and Fig. 3
) 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
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 (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 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., 2016
) 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., 2018
) and two coordinate [Ag(NCCCl3)2]+ (EKUPEI; Malinowski et al., 2021
) complexes are known, the latter being formed presumably by removal of CCl3CN ligands under vacuum (Malinowski et al., 2021
). 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, 2023
). 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., 2006
).
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, 2001
).
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., 2001
). 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 details are summarized in Table 1
. The structure was refined in the chiral space group P21 with two crystallographically independent ion pairs in the (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.
|
The was refined as an giving a 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 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 (DSR) approach. Appropriate restraints and equivalent-atom constraints were applied to maintain chemically reasonable geometry and displacement parameters during refinement.
Supporting information
CCDC reference: 2588967
contains datablock I. DOI: https://doi.org/10.1107/S205698902600976X/vu2025sup1.cif
19F NMR 1D and COSY spectra. DOI: https://doi.org/10.1107/S205698902600976X/vu2025sup3.pdf
Supporting information file. DOI: https://doi.org/10.1107/S205698902600976X/vu2025Isup4.cdx
Supporting information file. DOI: https://doi.org/10.1107/S205698902600976X/vu2025sup5.mol
Structure factors: contains datablock I. DOI: https://doi.org/10.1107/S205698902600976X/vu2025Isup6.hkl
| [Ag(C7F5N)4][Al(C4F9O)4] | F(000) = 3552 |
| Mr = 1847.33 | Dx = 2.121 Mg m−3 |
| Monoclinic, P21 | Mo Kα radiation, λ = 0.71073 Å |
| a = 13.3210 (9) Å | Cell parameters from 2527 reflections |
| b = 24.5685 (16) Å | θ = 2.6–25.0° |
| c = 17.8741 (9) Å | µ = 0.59 mm−1 |
| β = 98.493 (3)° | T = 120 K |
| V = 5785.6 (6) Å3 | Plate, colourless |
| Z = 4 | 0.22 × 0.19 × 0.12 mm |
| Bruker D8 Quest four-circle diffractometer | 18810 reflections with I > 2σ(I) |
| ω and φ scans | Rint = 0.065 |
| Absorption correction: multi-scan (SADABS; Krause et al., 2015) | θmax = 26.8°, θmin = 2.0° |
| Tmin = 0.450, Tmax = 0.745 | h = −16→16 |
| 72495 measured reflections | k = −31→31 |
| 24108 independent reflections | l = −22→22 |
| Refinement on F2 | 80 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) = 0.137 | Δρmax = 0.84 e Å−3 |
| S = 1.03 | Δρmin = −0.54 e Å−3 |
| 24108 reflections | Absolute structure: Refined as an inversion twin. |
| 2063 parameters | Absolute structure parameter: 0.49 (2) |
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). |
| x | y | z | Uiso*/Ueq | Occ. (<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) | |
| F1E | 0.1121 (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) | |
| F1H | 0.1901 (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) | |
| F2H | 0.2270 (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) | |
| F3H | 0.0825 (4) | 0.0367 (3) | 0.1224 (3) | 0.0580 (16) | |
| F5A | 0.0278 (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) | |
| F5E | 0.0787 (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) | |
| F6A | 0.1227 (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) | |
| F6E | 0.1967 (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) | |
| F6H | 0.0076 (5) | 0.0735 (2) | −0.1796 (3) | 0.0573 (15) | |
| F7A | 0.1306 (4) | −0.1498 (2) | 0.9238 (3) | 0.0576 (15) | |
| F9A | 0.0537 (4) | −0.2101 (3) | 0.8055 (4) | 0.0679 (17) | |
| F10A | −0.0348 (5) | −0.1635 (3) | 0.7137 (3) | 0.0641 (16) | |
| F11A | 0.1162 (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) | |
| F47A | 0.0999 (5) | −0.2015 (3) | 1.1881 (3) | 0.0623 (16) | |
| F48A | −0.0440 (6) | −0.1656 (3) | 1.1504 (4) | 0.090 (2) | |
| F49A | 0.0828 (8) | −0.1470 (3) | 1.0963 (4) | 0.103 (3) | |
| F51A | 0.1805 (5) | −0.2329 (3) | 1.0475 (5) | 0.090 (3) | |
| F52A | 0.1463 (6) | −0.2936 (3) | 1.1186 (4) | 0.098 (3) | |
| F53A | 0.0882 (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) | |
| C1E | 0.0550 (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) | |
| C1H | 0.1192 (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) | |
| C2H | 0.1368 (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) | |
| C3H | 0.0655 (6) | 0.0465 (3) | 0.0480 (5) | 0.0349 (18) | |
| C4 | −0.8653 (6) | −0.0054 (4) | 0.6081 (5) | 0.0384 (19) | |
| C4A | 0.0675 (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) | |
| C5E | 0.0379 (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) | |
| C6E | 0.0986 (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) | |
| C6H | 0.0228 (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) | |
| C8A | 0.0309 (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) | |
| C45A | 0.0128 (6) | −0.2327 (3) | 1.0687 (4) | 0.0340 (17) | |
| C46A | 0.0411 (9) | −0.1855 (5) | 1.1262 (6) | 0.057 (3) | |
| C50A | 0.1083 (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 |
| U11 | U22 | U33 | U12 | U13 | U23 | |
| Ag01 | 0.0375 (3) | 0.0429 (4) | 0.0458 (4) | 0.0009 (3) | 0.0009 (3) | −0.0071 (3) |
| Ag02 | 0.0384 (3) | 0.0410 (4) | 0.0459 (4) | 0.0023 (3) | 0.0022 (3) | 0.0093 (3) |
| Al1A | 0.0256 (10) | 0.0221 (10) | 0.0206 (10) | 0.0039 (8) | 0.0010 (8) | −0.0014 (8) |
| Al1B | 0.0244 (10) | 0.0207 (10) | 0.0205 (10) | 0.0009 (8) | −0.0024 (8) | −0.0010 (8) |
| F5B | 0.054 (3) | 0.035 (3) | 0.051 (3) | −0.003 (2) | 0.005 (2) | 0.011 (2) |
| F6B | 0.064 (3) | 0.032 (2) | 0.045 (3) | −0.001 (2) | −0.016 (2) | −0.003 (2) |
| F7B | 0.053 (3) | 0.040 (3) | 0.053 (3) | 0.016 (2) | 0.010 (2) | 0.006 (2) |
| F9B | 0.054 (3) | 0.043 (3) | 0.054 (3) | 0.012 (2) | 0.023 (2) | −0.009 (2) |
| F10B | 0.030 (2) | 0.056 (3) | 0.061 (3) | −0.003 (2) | 0.003 (2) | 0.003 (3) |
| F11B | 0.065 (3) | 0.069 (4) | 0.037 (3) | −0.003 (3) | 0.028 (2) | 0.003 (3) |
| F13B | 0.061 (3) | 0.051 (3) | 0.034 (3) | −0.013 (2) | 0.000 (2) | −0.008 (2) |
| F14B | 0.027 (2) | 0.067 (3) | 0.042 (3) | −0.001 (2) | −0.004 (2) | 0.006 (2) |
| F15B | 0.063 (3) | 0.061 (3) | 0.030 (2) | −0.013 (3) | −0.012 (2) | 0.017 (2) |
| F19B | 0.043 (4) | 0.059 (4) | 0.034 (3) | −0.009 (3) | 0.003 (3) | 0.007 (3) |
| F20B | 0.041 (5) | 0.036 (5) | 0.070 (7) | 0.009 (4) | 0.009 (5) | 0.011 (5) |
| F21B | 0.045 (3) | 0.035 (5) | 0.039 (5) | −0.013 (3) | −0.012 (3) | 0.014 (3) |
| F23B | 0.051 (5) | 0.030 (4) | 0.131 (9) | 0.006 (3) | 0.005 (5) | 0.018 (5) |
| F24B | 0.064 (5) | 0.057 (5) | 0.071 (6) | 0.004 (4) | 0.013 (4) | −0.028 (5) |
| F25B | 0.031 (3) | 0.043 (4) | 0.090 (7) | 0.005 (3) | 0.017 (4) | 0.013 (4) |
| F27B | 0.044 (4) | 0.093 (7) | 0.039 (4) | −0.026 (4) | −0.008 (3) | 0.028 (4) |
| F28B | 0.090 (6) | 0.091 (7) | 0.036 (4) | 0.000 (5) | 0.019 (4) | −0.017 (5) |
| F29B | 0.040 (5) | 0.078 (6) | 0.046 (6) | −0.012 (5) | −0.021 (4) | 0.034 (5) |
| F33B | 0.065 (4) | 0.077 (4) | 0.045 (3) | 0.022 (3) | −0.022 (3) | −0.010 (3) |
| F34B | 0.040 (3) | 0.053 (3) | 0.080 (4) | 0.018 (2) | 0.018 (3) | −0.003 (3) |
| F35B | 0.061 (3) | 0.039 (3) | 0.066 (3) | 0.016 (2) | 0.024 (3) | 0.018 (3) |
| F37B | 0.105 (5) | 0.073 (4) | 0.042 (3) | 0.037 (4) | −0.027 (3) | −0.019 (3) |
| F38B | 0.074 (4) | 0.047 (3) | 0.057 (3) | 0.016 (3) | 0.011 (3) | −0.024 (3) |
| F39B | 0.049 (3) | 0.046 (3) | 0.100 (5) | −0.010 (3) | 0.007 (3) | −0.031 (3) |
| F41B | 0.111 (5) | 0.050 (3) | 0.087 (5) | 0.010 (3) | 0.078 (4) | −0.002 (3) |
| F42B | 0.050 (3) | 0.046 (3) | 0.094 (5) | −0.015 (2) | 0.032 (3) | −0.018 (3) |
| F43B | 0.105 (5) | 0.036 (3) | 0.058 (4) | 0.015 (3) | 0.038 (3) | 0.016 (3) |
| F47B | 0.092 (4) | 0.033 (3) | 0.055 (3) | −0.014 (3) | 0.019 (3) | 0.000 (2) |
| F48B | 0.099 (5) | 0.040 (3) | 0.037 (3) | −0.004 (3) | −0.002 (3) | 0.004 (2) |
| F49B | 0.057 (3) | 0.040 (3) | 0.097 (5) | 0.013 (2) | −0.005 (3) | 0.006 (3) |
| F51B | 0.063 (4) | 0.059 (4) | 0.092 (5) | −0.029 (3) | −0.009 (3) | −0.022 (4) |
| F52B | 0.051 (3) | 0.060 (4) | 0.095 (5) | −0.010 (3) | 0.027 (3) | −0.005 (3) |
| F53B | 0.056 (4) | 0.070 (4) | 0.084 (5) | −0.011 (3) | −0.025 (3) | 0.022 (4) |
| F55B | 0.139 (7) | 0.083 (5) | 0.037 (3) | −0.051 (5) | 0.011 (4) | −0.012 (3) |
| F56B | 0.077 (4) | 0.050 (3) | 0.093 (5) | −0.013 (3) | 0.046 (4) | −0.023 (3) |
| F57B | 0.138 (6) | 0.037 (3) | 0.072 (4) | −0.020 (3) | 0.049 (4) | −0.027 (3) |
| O2B | 0.030 (2) | 0.028 (3) | 0.022 (2) | 0.009 (2) | 0.004 (2) | 0.002 (2) |
| O16B | 0.029 (3) | 0.042 (3) | 0.027 (3) | 0.002 (2) | −0.004 (2) | 0.009 (2) |
| O30B | 0.029 (3) | 0.030 (3) | 0.034 (3) | 0.002 (2) | 0.012 (2) | −0.005 (2) |
| O44B | 0.036 (3) | 0.031 (3) | 0.029 (3) | −0.006 (2) | 0.003 (2) | −0.006 (2) |
| C3B | 0.031 (4) | 0.032 (4) | 0.020 (3) | 0.003 (3) | 0.006 (3) | 0.001 (3) |
| C4B | 0.033 (4) | 0.037 (4) | 0.032 (4) | 0.001 (3) | −0.007 (3) | 0.008 (3) |
| C8B | 0.050 (5) | 0.045 (5) | 0.024 (4) | −0.001 (4) | 0.007 (3) | 0.001 (4) |
| C12B | 0.037 (4) | 0.042 (4) | 0.025 (4) | −0.001 (3) | −0.006 (3) | 0.003 (3) |
| C17B | 0.026 (4) | 0.036 (4) | 0.018 (4) | 0.004 (3) | −0.002 (3) | 0.008 (3) |
| C18B | 0.032 (5) | 0.041 (5) | 0.030 (6) | −0.005 (4) | −0.013 (4) | 0.008 (5) |
| C22B | 0.037 (5) | 0.039 (8) | 0.075 (8) | 0.001 (5) | −0.001 (5) | −0.011 (6) |
| C26B | 0.037 (7) | 0.075 (11) | 0.036 (6) | −0.004 (6) | −0.006 (5) | 0.011 (7) |
| C31B | 0.032 (4) | 0.027 (4) | 0.026 (4) | 0.007 (3) | 0.007 (3) | −0.004 (3) |
| C32B | 0.039 (4) | 0.043 (5) | 0.036 (4) | 0.008 (4) | 0.004 (3) | −0.001 (4) |
| C36B | 0.051 (5) | 0.034 (4) | 0.044 (5) | 0.013 (4) | 0.004 (4) | −0.015 (4) |
| C40B | 0.058 (6) | 0.040 (5) | 0.053 (6) | 0.010 (4) | 0.034 (5) | −0.005 (4) |
| C45B | 0.047 (5) | 0.028 (4) | 0.035 (4) | −0.008 (3) | 0.001 (4) | −0.005 (3) |
| C46B | 0.060 (6) | 0.026 (4) | 0.047 (5) | 0.001 (4) | 0.007 (4) | 0.004 (4) |
| C50B | 0.055 (6) | 0.041 (5) | 0.064 (7) | −0.012 (4) | −0.011 (5) | −0.007 (5) |
| C54B | 0.088 (8) | 0.039 (5) | 0.069 (8) | −0.020 (5) | 0.035 (6) | −0.016 (5) |
| F00S | 0.055 (3) | 0.045 (3) | 0.040 (3) | −0.010 (2) | 0.005 (2) | −0.009 (2) |
| F1 | 0.032 (2) | 0.060 (3) | 0.062 (3) | −0.007 (2) | 0.000 (2) | 0.003 (3) |
| F1A | 0.078 (4) | 0.052 (3) | 0.037 (3) | 0.024 (3) | −0.015 (3) | 0.000 (2) |
| F1B | 0.049 (3) | 0.052 (3) | 0.077 (4) | −0.002 (3) | 0.017 (3) | −0.027 (3) |
| F1C | 0.049 (3) | 0.078 (4) | 0.053 (3) | 0.028 (3) | −0.015 (3) | −0.024 (3) |
| F1D | 0.048 (3) | 0.073 (4) | 0.041 (3) | −0.002 (3) | 0.014 (2) | 0.011 (3) |
| F1E | 0.072 (4) | 0.039 (3) | 0.057 (3) | −0.013 (3) | −0.021 (3) | 0.002 (3) |
| F1F | 0.048 (3) | 0.042 (3) | 0.067 (4) | −0.012 (2) | 0.011 (3) | 0.015 (3) |
| F1G | 0.060 (4) | 0.072 (4) | 0.061 (4) | −0.021 (3) | 0.003 (3) | 0.019 (3) |
| F1H | 0.059 (3) | 0.045 (3) | 0.044 (3) | 0.000 (2) | 0.022 (2) | −0.010 (2) |
| F2 | 0.075 (4) | 0.047 (3) | 0.057 (4) | −0.015 (3) | 0.008 (3) | 0.012 (3) |
| F2A | 0.034 (3) | 0.084 (4) | 0.045 (3) | 0.006 (3) | 0.000 (2) | −0.005 (3) |
| F2B | 0.054 (3) | 0.043 (3) | 0.046 (3) | 0.002 (2) | 0.005 (2) | 0.001 (2) |
| F2C | 0.028 (2) | 0.086 (4) | 0.039 (3) | 0.000 (2) | −0.003 (2) | 0.006 (3) |
| F2D | 0.073 (4) | 0.083 (4) | 0.026 (3) | −0.007 (3) | 0.003 (3) | −0.002 (3) |
| F2E | 0.077 (4) | 0.034 (3) | 0.050 (3) | 0.006 (3) | 0.003 (3) | 0.001 (2) |
| F2G | 0.031 (3) | 0.088 (4) | 0.040 (3) | −0.001 (2) | 0.004 (2) | 0.002 (3) |
| F2H | 0.029 (2) | 0.099 (5) | 0.050 (3) | 0.016 (3) | 0.006 (2) | 0.000 (3) |
| F3A | 0.050 (3) | 0.062 (3) | 0.039 (3) | −0.002 (3) | 0.012 (2) | 0.004 (3) |
| F3B | 0.054 (3) | 0.047 (3) | 0.033 (3) | −0.011 (2) | 0.004 (2) | −0.005 (2) |
| F3C | 0.059 (3) | 0.048 (3) | 0.058 (3) | −0.012 (3) | −0.002 (3) | 0.015 (3) |
| F3D | 0.061 (3) | 0.070 (4) | 0.041 (3) | −0.021 (3) | 0.003 (2) | −0.006 (3) |
| F3E | 0.043 (3) | 0.058 (3) | 0.048 (3) | 0.008 (2) | 0.003 (2) | 0.010 (3) |
| F3F | 0.050 (3) | 0.050 (3) | 0.031 (3) | −0.001 (2) | −0.001 (2) | 0.009 (2) |
| F3G | 0.050 (3) | 0.055 (3) | 0.046 (3) | 0.014 (2) | −0.006 (2) | −0.002 (3) |
| F3H | 0.041 (3) | 0.096 (5) | 0.037 (3) | 0.025 (3) | 0.008 (2) | 0.012 (3) |
| F5A | 0.050 (3) | 0.048 (3) | 0.036 (3) | −0.011 (2) | 0.012 (2) | −0.010 (2) |
| F5C | 0.027 (2) | 0.070 (4) | 0.050 (3) | 0.000 (2) | −0.004 (2) | 0.003 (3) |
| F5D | 0.054 (3) | 0.074 (4) | 0.029 (3) | −0.011 (3) | 0.003 (2) | −0.009 (3) |
| F5E | 0.062 (3) | 0.043 (3) | 0.045 (3) | 0.009 (2) | 0.007 (3) | 0.000 (2) |
| F5F | 0.057 (3) | 0.069 (4) | 0.032 (3) | 0.013 (3) | 0.005 (2) | −0.013 (2) |
| F5G | 0.030 (2) | 0.073 (4) | 0.048 (3) | 0.012 (2) | 0.000 (2) | −0.013 (3) |
| F5H | 0.060 (3) | 0.060 (3) | 0.053 (3) | 0.028 (3) | −0.021 (3) | −0.013 (3) |
| F6A | 0.037 (3) | 0.051 (3) | 0.061 (3) | −0.009 (2) | 0.017 (2) | 0.001 (3) |
| F6C | 0.066 (4) | 0.054 (4) | 0.071 (4) | −0.003 (3) | −0.017 (3) | −0.017 (3) |
| F6D | 0.045 (3) | 0.084 (4) | 0.046 (3) | −0.019 (3) | 0.001 (2) | −0.008 (3) |
| F6E | 0.043 (3) | 0.057 (3) | 0.082 (4) | −0.005 (3) | −0.020 (3) | 0.006 (3) |
| F6F | 0.046 (3) | 0.069 (4) | 0.037 (3) | 0.001 (3) | 0.008 (2) | 0.020 (3) |
| F6G | 0.060 (3) | 0.054 (3) | 0.057 (4) | 0.009 (3) | −0.004 (3) | 0.012 (3) |
| F6H | 0.078 (4) | 0.061 (4) | 0.030 (3) | 0.015 (3) | 0.000 (3) | 0.000 (3) |
| F7A | 0.032 (3) | 0.065 (4) | 0.072 (4) | 0.006 (2) | −0.004 (3) | 0.018 (3) |
| F9A | 0.055 (3) | 0.071 (4) | 0.080 (4) | 0.022 (3) | 0.015 (3) | −0.024 (4) |
| F10A | 0.071 (4) | 0.091 (4) | 0.033 (3) | −0.002 (3) | 0.016 (3) | −0.022 (3) |
| F11A | 0.043 (3) | 0.113 (5) | 0.067 (4) | −0.013 (3) | 0.031 (3) | −0.028 (4) |
| F13A | 0.028 (2) | 0.073 (4) | 0.056 (3) | 0.001 (2) | −0.002 (2) | 0.023 (3) |
| F14A | 0.048 (3) | 0.093 (5) | 0.076 (4) | −0.012 (3) | 0.011 (3) | 0.048 (4) |
| F15A | 0.057 (3) | 0.035 (3) | 0.082 (4) | 0.000 (2) | 0.012 (3) | 0.001 (3) |
| F18 | 0.073 (4) | 0.107 (6) | 0.040 (3) | −0.046 (4) | 0.003 (3) | 0.013 (3) |
| F19A | 0.037 (3) | 0.064 (4) | 0.077 (4) | −0.008 (3) | −0.003 (3) | −0.013 (3) |
| F20 | 0.068 (4) | 0.107 (5) | 0.037 (3) | −0.035 (4) | 0.019 (3) | −0.028 (3) |
| F20A | 0.078 (4) | 0.050 (3) | 0.078 (4) | −0.033 (3) | −0.002 (3) | −0.022 (3) |
| F21A | 0.078 (4) | 0.076 (4) | 0.048 (3) | −0.042 (3) | 0.008 (3) | 0.009 (3) |
| F23A | 0.139 (7) | 0.034 (3) | 0.075 (5) | 0.008 (4) | −0.029 (4) | 0.010 (3) |
| F24A | 0.098 (5) | 0.061 (4) | 0.105 (6) | 0.022 (4) | −0.025 (4) | −0.059 (4) |
| F25A | 0.065 (4) | 0.073 (4) | 0.090 (5) | 0.029 (3) | −0.019 (4) | −0.038 (4) |
| F27A | 0.068 (3) | 0.038 (3) | 0.039 (3) | −0.013 (2) | −0.011 (2) | 0.006 (2) |
| F28A | 0.075 (4) | 0.097 (5) | 0.053 (4) | −0.022 (4) | 0.024 (3) | −0.034 (3) |
| F29A | 0.120 (6) | 0.065 (4) | 0.036 (3) | −0.035 (4) | −0.021 (3) | −0.003 (3) |
| F33A | 0.067 (3) | 0.039 (3) | 0.051 (3) | −0.005 (2) | 0.025 (3) | 0.009 (2) |
| F34A | 0.062 (3) | 0.067 (4) | 0.031 (3) | 0.016 (3) | 0.007 (2) | 0.007 (2) |
| F35A | 0.037 (3) | 0.069 (4) | 0.042 (3) | 0.006 (2) | 0.021 (2) | 0.005 (2) |
| F37A | 0.030 (2) | 0.043 (3) | 0.054 (3) | −0.0035 (19) | 0.001 (2) | −0.010 (2) |
| F38A | 0.037 (3) | 0.048 (3) | 0.046 (3) | 0.022 (2) | 0.007 (2) | 0.002 (2) |
| F39A | 0.034 (2) | 0.055 (3) | 0.030 (2) | 0.003 (2) | 0.0052 (19) | 0.010 (2) |
| F41A | 0.047 (3) | 0.047 (3) | 0.053 (3) | 0.010 (2) | −0.010 (2) | −0.022 (3) |
| F42A | 0.066 (4) | 0.029 (2) | 0.073 (4) | −0.013 (2) | 0.020 (3) | −0.002 (2) |
| F43A | 0.055 (3) | 0.038 (3) | 0.059 (3) | 0.015 (2) | 0.018 (3) | −0.015 (2) |
| F47A | 0.067 (4) | 0.078 (4) | 0.035 (3) | 0.016 (3) | −0.016 (2) | −0.007 (3) |
| F48A | 0.102 (5) | 0.097 (5) | 0.061 (4) | 0.048 (4) | −0.021 (4) | −0.036 (4) |
| F49A | 0.182 (8) | 0.056 (4) | 0.057 (4) | −0.045 (5) | −0.031 (4) | 0.003 (3) |
| F51A | 0.036 (3) | 0.080 (5) | 0.155 (8) | 0.009 (3) | 0.011 (4) | 0.023 (5) |
| F52A | 0.108 (6) | 0.111 (6) | 0.060 (4) | 0.082 (5) | −0.031 (4) | −0.004 (4) |
| F53A | 0.055 (3) | 0.073 (4) | 0.056 (3) | 0.033 (3) | −0.006 (3) | −0.020 (3) |
| F55A | 0.076 (4) | 0.066 (4) | 0.091 (5) | −0.022 (3) | 0.018 (4) | −0.003 (4) |
| F56A | 0.116 (6) | 0.087 (5) | 0.064 (4) | −0.009 (4) | −0.013 (4) | 0.043 (4) |
| F57A | 0.065 (4) | 0.083 (5) | 0.097 (5) | 0.015 (3) | 0.028 (4) | 0.041 (4) |
| O2A | 0.028 (3) | 0.034 (3) | 0.024 (3) | 0.002 (2) | −0.002 (2) | −0.004 (2) |
| O16A | 0.036 (3) | 0.024 (3) | 0.028 (3) | −0.002 (2) | −0.002 (2) | −0.004 (2) |
| O30A | 0.023 (2) | 0.029 (3) | 0.029 (3) | 0.0030 (19) | 0.0047 (19) | −0.007 (2) |
| O44A | 0.033 (3) | 0.035 (3) | 0.023 (2) | 0.014 (2) | −0.0038 (19) | −0.004 (2) |
| N1A | 0.044 (4) | 0.044 (4) | 0.038 (4) | 0.008 (3) | −0.003 (3) | 0.003 (3) |
| N1B | 0.039 (4) | 0.055 (6) | 0.067 (6) | −0.019 (4) | −0.007 (4) | 0.011 (5) |
| N1C | 0.057 (5) | 0.058 (5) | 0.037 (4) | 0.022 (4) | 0.001 (4) | 0.012 (4) |
| N1D | 0.050 (4) | 0.040 (4) | 0.039 (4) | −0.009 (3) | 0.011 (3) | 0.003 (3) |
| N1E | 0.058 (5) | 0.054 (5) | 0.044 (5) | −0.014 (4) | 0.001 (4) | −0.006 (4) |
| N1F | 0.051 (5) | 0.049 (5) | 0.042 (4) | 0.021 (4) | 0.003 (3) | −0.005 (4) |
| N1G | 0.047 (4) | 0.062 (5) | 0.042 (4) | 0.000 (4) | 0.007 (3) | −0.002 (4) |
| N1H | 0.036 (4) | 0.035 (4) | 0.060 (5) | 0.002 (3) | 0.005 (4) | −0.001 (3) |
| C1 | 0.050 (5) | 0.037 (5) | 0.028 (4) | 0.014 (4) | −0.007 (3) | −0.004 (3) |
| C1C | 0.036 (4) | 0.053 (5) | 0.026 (4) | 0.016 (4) | 0.001 (3) | −0.009 (4) |
| C1D | 0.047 (5) | 0.039 (5) | 0.028 (4) | 0.009 (4) | 0.009 (4) | 0.008 (3) |
| C1E | 0.058 (5) | 0.035 (5) | 0.034 (4) | −0.016 (4) | −0.012 (4) | 0.009 (4) |
| C1F | 0.024 (4) | 0.040 (5) | 0.046 (5) | −0.002 (3) | 0.007 (3) | 0.013 (4) |
| C1G | 0.039 (5) | 0.069 (7) | 0.027 (4) | −0.015 (4) | 0.004 (4) | 0.006 (4) |
| C1H | 0.030 (4) | 0.030 (4) | 0.042 (5) | −0.003 (3) | 0.010 (3) | −0.011 (3) |
| C2 | 0.030 (4) | 0.036 (4) | 0.042 (5) | −0.007 (3) | 0.008 (3) | −0.010 (4) |
| C2A | 0.038 (4) | 0.052 (5) | 0.034 (5) | 0.008 (4) | 0.002 (4) | −0.010 (4) |
| C2B | 0.025 (4) | 0.046 (5) | 0.033 (4) | −0.002 (3) | 0.003 (3) | −0.008 (4) |
| C2C | 0.031 (4) | 0.052 (5) | 0.020 (4) | 0.006 (3) | 0.003 (3) | 0.005 (3) |
| C2D | 0.040 (4) | 0.043 (5) | 0.028 (4) | 0.004 (4) | −0.001 (3) | 0.000 (4) |
| C2E | 0.061 (5) | 0.030 (4) | 0.032 (4) | −0.003 (4) | 0.009 (4) | 0.008 (4) |
| C2F | 0.027 (4) | 0.045 (5) | 0.031 (4) | −0.004 (3) | −0.001 (3) | −0.009 (4) |
| C2G | 0.035 (4) | 0.078 (7) | 0.019 (4) | 0.005 (4) | 0.004 (3) | 0.004 (4) |
| C2H | 0.029 (4) | 0.046 (5) | 0.035 (4) | −0.002 (3) | 0.002 (3) | −0.004 (4) |
| C3 | 0.057 (5) | 0.029 (4) | 0.029 (4) | −0.004 (3) | 0.008 (4) | −0.006 (3) |
| C3A | 0.018 (3) | 0.048 (5) | 0.024 (4) | 0.001 (3) | 0.004 (3) | 0.002 (3) |
| C3C | 0.041 (5) | 0.046 (5) | 0.030 (4) | 0.000 (4) | −0.003 (3) | 0.009 (4) |
| C3D | 0.053 (5) | 0.034 (4) | 0.033 (4) | −0.008 (4) | 0.002 (4) | −0.003 (4) |
| C3E | 0.039 (4) | 0.040 (4) | 0.030 (4) | 0.002 (4) | −0.002 (3) | 0.007 (4) |
| C3F | 0.028 (4) | 0.041 (4) | 0.030 (4) | −0.001 (3) | 0.006 (3) | 0.009 (3) |
| C3G | 0.039 (4) | 0.052 (5) | 0.019 (4) | 0.008 (4) | 0.004 (3) | 0.004 (3) |
| C3H | 0.030 (4) | 0.039 (5) | 0.035 (4) | −0.002 (3) | 0.002 (3) | 0.003 (4) |
| C4 | 0.027 (4) | 0.042 (5) | 0.047 (5) | −0.005 (3) | 0.010 (3) | −0.012 (4) |
| C4A | 0.037 (4) | 0.039 (4) | 0.045 (5) | 0.003 (3) | 0.004 (4) | −0.001 (4) |
| C4C | 0.034 (4) | 0.045 (5) | 0.026 (4) | 0.003 (3) | 0.004 (3) | 0.011 (3) |
| C4D | 0.042 (4) | 0.025 (4) | 0.033 (4) | 0.005 (3) | 0.014 (3) | 0.002 (3) |
| C4E | 0.042 (4) | 0.032 (4) | 0.029 (4) | −0.007 (3) | 0.004 (3) | 0.008 (3) |
| C4F | 0.022 (3) | 0.043 (5) | 0.036 (4) | 0.003 (3) | 0.006 (3) | −0.002 (4) |
| C4G | 0.041 (4) | 0.058 (6) | 0.019 (4) | 0.005 (4) | 0.008 (3) | −0.005 (4) |
| C4H | 0.027 (4) | 0.024 (4) | 0.040 (4) | −0.005 (3) | −0.002 (3) | −0.004 (3) |
| C5 | 0.044 (5) | 0.076 (7) | 0.028 (4) | −0.027 (5) | 0.001 (4) | 0.009 (4) |
| C5C | 0.029 (4) | 0.056 (5) | 0.023 (4) | 0.001 (4) | 0.004 (3) | 0.006 (4) |
| C5D | 0.047 (5) | 0.042 (5) | 0.026 (4) | −0.003 (4) | 0.007 (4) | −0.002 (4) |
| C5E | 0.043 (4) | 0.037 (5) | 0.032 (4) | 0.002 (4) | −0.002 (3) | 0.008 (4) |
| C5F | 0.026 (4) | 0.049 (5) | 0.038 (5) | 0.008 (3) | −0.004 (3) | 0.000 (4) |
| C5G | 0.025 (4) | 0.061 (6) | 0.024 (4) | 0.006 (4) | 0.006 (3) | −0.004 (4) |
| C5H | 0.035 (4) | 0.023 (4) | 0.041 (5) | −0.001 (3) | −0.006 (3) | −0.010 (3) |
| C05L | 0.027 (4) | 0.046 (5) | 0.043 (5) | 0.008 (4) | 0.004 (3) | −0.002 (4) |
| C6 | 0.030 (4) | 0.082 (7) | 0.041 (5) | −0.024 (4) | 0.016 (4) | −0.023 (5) |
| C6C | 0.035 (4) | 0.053 (5) | 0.033 (4) | 0.001 (4) | −0.005 (3) | −0.008 (4) |
| C6D | 0.038 (4) | 0.040 (5) | 0.041 (5) | −0.001 (4) | 0.008 (4) | −0.001 (4) |
| C6E | 0.051 (5) | 0.031 (5) | 0.044 (5) | −0.007 (4) | −0.009 (4) | 0.010 (4) |
| C6F | 0.026 (4) | 0.065 (6) | 0.030 (4) | −0.001 (4) | 0.003 (3) | 0.016 (4) |
| C6G | 0.038 (4) | 0.045 (5) | 0.033 (4) | 0.007 (4) | 0.005 (4) | 0.008 (4) |
| C6H | 0.067 (6) | 0.026 (4) | 0.029 (4) | −0.004 (4) | 0.000 (4) | −0.001 (3) |
| C7 | 0.031 (4) | 0.042 (5) | 0.023 (4) | 0.003 (3) | 0.008 (3) | −0.006 (3) |
| C7A | 0.038 (4) | 0.033 (4) | 0.038 (5) | 0.000 (3) | 0.009 (4) | −0.002 (4) |
| C7B | 0.034 (4) | 0.056 (6) | 0.046 (5) | −0.012 (4) | 0.007 (4) | 0.012 (5) |
| C7C | 0.041 (5) | 0.055 (6) | 0.039 (5) | 0.000 (4) | 0.012 (4) | 0.009 (4) |
| C7D | 0.048 (5) | 0.031 (4) | 0.033 (4) | 0.002 (4) | −0.003 (4) | 0.005 (3) |
| C7E | 0.050 (5) | 0.042 (5) | 0.027 (4) | −0.002 (4) | 0.004 (4) | 0.010 (4) |
| C7G | 0.036 (4) | 0.062 (6) | 0.022 (4) | −0.004 (4) | 0.007 (3) | −0.012 (4) |
| C7H | 0.022 (3) | 0.033 (4) | 0.046 (5) | −0.001 (3) | −0.002 (3) | −0.005 (4) |
| C8 | 0.032 (4) | 0.034 (4) | 0.032 (4) | 0.008 (3) | 0.000 (3) | −0.009 (3) |
| C8A | 0.033 (4) | 0.064 (6) | 0.052 (6) | −0.002 (4) | 0.013 (4) | −0.007 (5) |
| C9 | 0.032 (4) | 0.041 (5) | 0.037 (4) | −0.012 (3) | 0.002 (3) | 0.005 (4) |
| C12 | 0.031 (4) | 0.048 (5) | 0.028 (4) | −0.007 (3) | 0.006 (3) | −0.005 (4) |
| C12A | 0.040 (5) | 0.046 (5) | 0.058 (6) | −0.005 (4) | 0.015 (4) | 0.008 (5) |
| C17A | 0.048 (5) | 0.027 (4) | 0.032 (4) | −0.007 (3) | −0.005 (3) | −0.007 (3) |
| C18A | 0.073 (7) | 0.042 (5) | 0.043 (5) | −0.023 (5) | 0.001 (5) | −0.008 (4) |
| C22A | 0.078 (8) | 0.052 (7) | 0.076 (8) | 0.016 (6) | −0.015 (6) | −0.029 (6) |
| C26A | 0.067 (6) | 0.056 (6) | 0.027 (4) | −0.009 (5) | −0.002 (4) | −0.015 (4) |
| C31A | 0.021 (3) | 0.027 (4) | 0.032 (4) | 0.006 (3) | 0.005 (3) | −0.004 (3) |
| C32A | 0.042 (5) | 0.046 (5) | 0.043 (5) | 0.002 (4) | 0.016 (4) | −0.012 (4) |
| C36A | 0.031 (4) | 0.037 (4) | 0.031 (4) | 0.003 (3) | 0.004 (3) | 0.002 (3) |
| C40A | 0.036 (4) | 0.031 (4) | 0.056 (5) | 0.004 (3) | 0.004 (4) | −0.012 (4) |
| C45A | 0.039 (4) | 0.033 (4) | 0.027 (4) | 0.012 (3) | −0.005 (3) | 0.000 (3) |
| C46A | 0.069 (7) | 0.054 (6) | 0.041 (5) | 0.021 (5) | −0.014 (5) | −0.015 (5) |
| C50A | 0.041 (5) | 0.047 (5) | 0.053 (6) | 0.021 (4) | −0.008 (4) | 0.013 (4) |
| C54A | 0.062 (6) | 0.045 (5) | 0.057 (6) | 0.027 (5) | 0.026 (5) | 0.023 (5) |
| C17C | 0.026 (4) | 0.036 (4) | 0.018 (4) | 0.004 (3) | −0.002 (3) | 0.008 (3) |
| C26C | 0.037 (7) | 0.075 (11) | 0.036 (6) | −0.004 (6) | −0.006 (5) | 0.011 (7) |
| F29C | 0.07 (2) | 0.15 (3) | 0.039 (18) | −0.02 (3) | −0.030 (17) | 0.02 (2) |
| F27C | 0.074 (12) | 0.065 (12) | 0.079 (13) | −0.004 (10) | −0.019 (10) | 0.011 (11) |
| F28C | 0.085 (13) | 0.078 (13) | 0.048 (11) | 0.022 (11) | 0.013 (10) | −0.012 (10) |
| F21C | 0.045 (3) | 0.035 (5) | 0.039 (5) | −0.013 (3) | −0.012 (3) | 0.014 (3) |
| C18C | 0.032 (5) | 0.041 (5) | 0.030 (6) | −0.005 (4) | −0.013 (4) | 0.008 (5) |
| F20C | 0.11 (2) | 0.060 (16) | 0.052 (15) | −0.008 (15) | −0.012 (14) | −0.018 (13) |
| F19C | 0.06 (3) | 0.05 (3) | 0.09 (3) | 0.004 (18) | 0.00 (2) | 0.03 (2) |
| C22C | 0.037 (5) | 0.039 (8) | 0.075 (8) | 0.001 (5) | −0.001 (5) | −0.011 (6) |
| F23C | 0.036 (12) | 0.039 (15) | 0.13 (3) | 0.004 (11) | −0.012 (16) | 0.000 (18) |
| F25C | 0.031 (3) | 0.043 (4) | 0.090 (7) | 0.005 (3) | 0.017 (4) | 0.013 (4) |
| F24C | 0.046 (14) | 0.13 (3) | 0.13 (3) | −0.019 (15) | 0.049 (16) | −0.08 (2) |
| Ag01—N1E | 2.272 (8) | F20A—C18A | 1.349 (11) |
| Ag01—N1F | 2.383 (8) | F21A—C18A | 1.352 (12) |
| Ag01—N1G | 2.238 (9) | F23A—C22A | 1.379 (16) |
| Ag01—N1H | 2.280 (8) | F24A—C22A | 1.349 (12) |
| Ag02—N1A | 2.240 (7) | F25A—C22A | 1.298 (14) |
| Ag02—N1B | 2.371 (9) | F27A—C26A | 1.318 (11) |
| Ag02—N1C | 2.207 (8) | F28A—C26A | 1.337 (12) |
| Ag02—N1D | 2.252 (7) | F29A—C26A | 1.361 (10) |
| Al1A—O2A | 1.724 (6) | F33A—C32A | 1.303 (10) |
| Al1A—O16A | 1.737 (5) | F34A—C32A | 1.349 (10) |
| Al1A—O30A | 1.726 (5) | F35A—C32A | 1.334 (10) |
| Al1A—O44A | 1.718 (5) | F37A—C36A | 1.343 (9) |
| Al1B—O2B | 1.722 (5) | F38A—C36A | 1.354 (9) |
| Al1B—O16B | 1.721 (5) | F39A—C36A | 1.317 (9) |
| Al1B—O30B | 1.723 (5) | F41A—C40A | 1.331 (10) |
| Al1B—O44B | 1.705 (5) | F42A—C40A | 1.366 (11) |
| F5B—C4B | 1.328 (10) | F43A—C40A | 1.322 (10) |
| F6B—C4B | 1.319 (9) | F47A—C46A | 1.317 (11) |
| F7B—C4B | 1.343 (10) | F48A—C46A | 1.363 (13) |
| F9B—C8B | 1.349 (10) | F49A—C46A | 1.255 (14) |
| F10B—C8B | 1.324 (10) | F51A—C50A | 1.287 (12) |
| F11B—C8B | 1.334 (9) | F52A—C50A | 1.333 (11) |
| F13B—C12B | 1.339 (10) | F53A—C50A | 1.280 (12) |
| F14B—C12B | 1.318 (10) | F55A—C54A | 1.345 (13) |
| F15B—C12B | 1.345 (9) | F56A—C54A | 1.291 (11) |
| F19B—C18B | 1.358 (14) | F57A—C54A | 1.359 (11) |
| F20B—C18B | 1.302 (18) | O2A—C3A | 1.364 (9) |
| F21B—C18B | 1.331 (12) | O16A—C17A | 1.345 (9) |
| F23B—C22B | 1.304 (16) | O30A—C31A | 1.352 (8) |
| F24B—C22B | 1.338 (17) | O44A—C45A | 1.352 (9) |
| F25B—C22B | 1.371 (13) | N1A—C7A | 1.157 (11) |
| F27B—C26B | 1.347 (16) | N1B—C7B | 1.124 (13) |
| F28B—C26B | 1.357 (16) | N1C—C7C | 1.156 (12) |
| F29B—C26B | 1.303 (14) | N1D—C7D | 1.147 (11) |
| F33B—C32B | 1.325 (10) | N1E—C7E | 1.129 (12) |
| F34B—C32B | 1.341 (10) | N1F—C05L | 1.136 (12) |
| F35B—C32B | 1.321 (10) | N1G—C7G | 1.129 (12) |
| F37B—C36B | 1.351 (11) | N1H—C7H | 1.137 (11) |
| F38B—C36B | 1.346 (10) | C1—C2A | 1.366 (13) |
| F39B—C36B | 1.298 (12) | C1—C3 | 1.377 (13) |
| F41B—C40B | 1.355 (9) | C1C—C2C | 1.380 (13) |
| F42B—C40B | 1.341 (12) | C1C—C6C | 1.382 (12) |
| F43B—C40B | 1.311 (11) | C1D—C2D | 1.361 (13) |
| F47B—C46B | 1.361 (10) | C1D—C6D | 1.388 (12) |
| F48B—C46B | 1.293 (11) | C1E—C2E | 1.380 (13) |
| F49B—C46B | 1.342 (11) | C1E—C6E | 1.380 (14) |
| F51B—C50B | 1.335 (11) | C1F—C2F | 1.401 (12) |
| F52B—C50B | 1.344 (13) | C1F—C6F | 1.359 (13) |
| F53B—C50B | 1.327 (12) | C1G—C2G | 1.366 (15) |
| F55B—C54B | 1.361 (15) | C1G—C6G | 1.391 (12) |
| F56B—C54B | 1.306 (13) | C1H—C2H | 1.381 (12) |
| F57B—C54B | 1.321 (11) | C1H—C6H | 1.420 (12) |
| O2B—C3B | 1.350 (8) | C2—C3 | 1.348 (12) |
| O16B—C17B | 1.362 (10) | C2—C8 | 1.407 (12) |
| O16B—C17C | 1.32 (2) | C2A—C7 | 1.358 (12) |
| O30B—C31B | 1.351 (8) | C2B—C4 | 1.387 (12) |
| O44B—C45B | 1.361 (9) | C2B—C12 | 1.365 (12) |
| C3B—C4B | 1.541 (11) | C2C—C3C | 1.379 (12) |
| C3B—C8B | 1.561 (11) | C2D—C3D | 1.389 (13) |
| C3B—C12B | 1.546 (10) | C2E—C3E | 1.377 (12) |
| C17B—C18B | 1.546 (14) | C2F—C3F | 1.380 (12) |
| C17B—C22B | 1.534 (14) | C2G—C3G | 1.391 (14) |
| C17B—C26B | 1.559 (14) | C2H—C3H | 1.349 (12) |
| C31B—C32B | 1.561 (11) | C3A—C4A | 1.559 (11) |
| C31B—C36B | 1.544 (11) | C3A—C8A | 1.514 (12) |
| C31B—C40B | 1.531 (12) | C3A—C12A | 1.548 (12) |
| C45B—C46B | 1.564 (12) | C3C—C4C | 1.376 (12) |
| C45B—C50B | 1.535 (13) | C3D—C4D | 1.385 (12) |
| C45B—C54B | 1.541 (13) | C3E—C4E | 1.394 (12) |
| F00S—C2F | 1.315 (9) | C3F—C4F | 1.390 (12) |
| F1—C2 | 1.340 (9) | C3G—C4G | 1.389 (12) |
| F1A—C1 | 1.345 (9) | C3H—C4H | 1.390 (11) |
| F1B—C4 | 1.311 (11) | C4—C6 | 1.394 (14) |
| F1C—C1C | 1.331 (10) | C4C—C5C | 1.400 (13) |
| F1D—C1D | 1.322 (10) | C4C—C7C | 1.409 (13) |
| F1E—C1E | 1.309 (10) | C4D—C5D | 1.400 (12) |
| F1F—C1F | 1.318 (10) | C4D—C7D | 1.425 (12) |
| F1G—C1G | 1.325 (11) | C4E—C5E | 1.386 (12) |
| F1H—C1H | 1.327 (9) | C4E—C7E | 1.438 (12) |
| F2—C3 | 1.341 (10) | C4F—C5F | 1.380 (12) |
| F2A—C2A | 1.334 (10) | C4F—C05L | 1.444 (13) |
| F2B—C2B | 1.324 (10) | C4G—C5G | 1.380 (13) |
| F2C—C2C | 1.320 (9) | C4G—C7G | 1.436 (13) |
| F2D—C2D | 1.344 (10) | C4H—C5H | 1.414 (12) |
| F2E—C2E | 1.326 (10) | C4H—C7H | 1.427 (12) |
| F2G—C2G | 1.332 (10) | C5—C6 | 1.352 (15) |
| F2H—C2H | 1.338 (10) | C5—C9 | 1.388 (13) |
| F3A—C7 | 1.336 (10) | C5C—C6C | 1.352 (13) |
| F3B—C12 | 1.326 (9) | C5D—C6D | 1.380 (12) |
| F3C—C3C | 1.334 (11) | C5E—C6E | 1.382 (12) |
| F3D—C3D | 1.338 (10) | C5F—C6F | 1.392 (13) |
| F3E—C3E | 1.315 (9) | C5G—C6G | 1.381 (13) |
| F3F—C3F | 1.318 (9) | C5H—C6H | 1.351 (13) |
| F3G—C3G | 1.320 (10) | C7—C8 | 1.397 (11) |
| F3H—C3H | 1.338 (10) | C7A—C8 | 1.406 (12) |
| F5A—C4A | 1.322 (10) | C7B—C9 | 1.448 (14) |
| F5C—C5C | 1.342 (9) | C9—C12 | 1.398 (12) |
| F5D—C5D | 1.326 (10) | C17A—C18A | 1.531 (14) |
| F5E—C5E | 1.326 (10) | C17A—C22A | 1.524 (14) |
| F5F—C5F | 1.307 (10) | C17A—C26A | 1.553 (13) |
| F5G—C5G | 1.332 (9) | C31A—C32A | 1.553 (12) |
| F5H—C5H | 1.306 (9) | C31A—C36A | 1.555 (10) |
| F6A—C4A | 1.317 (10) | C31A—C40A | 1.529 (11) |
| F6C—C6C | 1.345 (11) | C45A—C46A | 1.557 (12) |
| F6D—C6D | 1.323 (10) | C45A—C50A | 1.552 (11) |
| F6E—C6E | 1.308 (11) | C45A—C54A | 1.547 (13) |
| F6F—C6F | 1.340 (10) | C17C—C26C | 1.54 (3) |
| F6G—C6G | 1.327 (10) | C17C—C18C | 1.54 (2) |
| F6H—C6H | 1.319 (10) | C17C—C22C | 1.54 (2) |
| F7A—C4A | 1.357 (10) | C26C—F29C | 1.31 (3) |
| F9A—C8A | 1.369 (12) | C26C—F27C | 1.35 (3) |
| F10A—C8A | 1.370 (11) | C26C—F28C | 1.37 (3) |
| F11A—C8A | 1.325 (11) | F21C—C18C | 1.34 (2) |
| F13A—C12A | 1.360 (11) | C18C—F20C | 1.30 (3) |
| F14A—C12A | 1.350 (10) | C18C—F19C | 1.35 (3) |
| F15A—C12A | 1.296 (12) | C22C—F23C | 1.31 (3) |
| F18—C5 | 1.336 (11) | C22C—F25C | 1.37 (2) |
| F19A—C18A | 1.345 (13) | C22C—F24C | 1.36 (3) |
| F20—C6 | 1.333 (11) | ||
| N1E—Ag01—N1F | 94.5 (3) | C2F—C3F—C4F | 120.4 (7) |
| N1E—Ag01—N1H | 110.0 (3) | F3G—C3G—C2G | 119.9 (8) |
| N1G—Ag01—N1E | 120.3 (3) | F3G—C3G—C4G | 120.2 (8) |
| N1G—Ag01—N1F | 113.0 (3) | C4G—C3G—C2G | 119.8 (8) |
| N1G—Ag01—N1H | 113.2 (3) | F3H—C3H—C2H | 120.9 (7) |
| N1H—Ag01—N1F | 103.1 (3) | F3H—C3H—C4H | 117.5 (7) |
| N1A—Ag02—N1B | 98.1 (3) | C2H—C3H—C4H | 121.5 (8) |
| N1A—Ag02—N1D | 110.3 (3) | F1B—C4—C2B | 119.8 (9) |
| N1C—Ag02—N1A | 119.7 (3) | F1B—C4—C6 | 120.9 (8) |
| N1C—Ag02—N1B | 110.0 (3) | C2B—C4—C6 | 119.3 (8) |
| N1C—Ag02—N1D | 113.9 (3) | F5A—C4A—F7A | 107.7 (7) |
| N1D—Ag02—N1B | 102.3 (3) | F5A—C4A—C3A | 110.1 (6) |
| O2A—Al1A—O16A | 107.0 (3) | F6A—C4A—F5A | 109.0 (7) |
| O2A—Al1A—O30A | 112.8 (3) | F6A—C4A—F7A | 107.6 (7) |
| O30A—Al1A—O16A | 108.3 (3) | F6A—C4A—C3A | 112.7 (7) |
| O44A—Al1A—O2A | 106.8 (3) | F7A—C4A—C3A | 109.5 (7) |
| O44A—Al1A—O16A | 114.9 (3) | C3C—C4C—C5C | 117.8 (8) |
| O44A—Al1A—O30A | 107.2 (3) | C3C—C4C—C7C | 121.9 (9) |
| O2B—Al1B—O30B | 107.3 (3) | C5C—C4C—C7C | 120.2 (8) |
| O16B—Al1B—O2B | 107.6 (3) | C3D—C4D—C5D | 118.4 (7) |
| O16B—Al1B—O30B | 110.7 (3) | C3D—C4D—C7D | 120.6 (8) |
| O44B—Al1B—O2B | 114.1 (3) | C5D—C4D—C7D | 120.9 (8) |
| O44B—Al1B—O16B | 109.0 (3) | C3E—C4E—C7E | 121.0 (8) |
| O44B—Al1B—O30B | 108.2 (3) | C5E—C4E—C3E | 119.1 (8) |
| C3B—O2B—Al1B | 148.9 (5) | C5E—C4E—C7E | 119.8 (8) |
| C17B—O16B—Al1B | 145.3 (5) | C3F—C4F—C05L | 118.4 (8) |
| C17C—O16B—Al1B | 156.4 (11) | C5F—C4F—C3F | 120.2 (8) |
| C31B—O30B—Al1B | 147.7 (5) | C5F—C4F—C05L | 121.1 (8) |
| C45B—O44B—Al1B | 149.9 (5) | C3G—C4G—C7G | 120.4 (8) |
| O2B—C3B—C4B | 111.5 (6) | C5G—C4G—C3G | 119.3 (8) |
| O2B—C3B—C8B | 107.8 (6) | C5G—C4G—C7G | 120.1 (8) |
| O2B—C3B—C12B | 110.6 (6) | C3H—C4H—C5H | 117.6 (7) |
| C4B—C3B—C8B | 108.0 (6) | C3H—C4H—C7H | 121.3 (8) |
| C4B—C3B—C12B | 109.5 (6) | C5H—C4H—C7H | 120.9 (7) |
| C12B—C3B—C8B | 109.4 (6) | F18—C5—C6 | 119.7 (9) |
| F5B—C4B—F7B | 107.5 (6) | F18—C5—C9 | 119.0 (9) |
| F5B—C4B—C3B | 113.3 (7) | C6—C5—C9 | 121.3 (9) |
| F6B—C4B—F5B | 107.5 (7) | F5C—C5C—C4C | 119.1 (8) |
| F6B—C4B—F7B | 106.2 (7) | F5C—C5C—C6C | 120.1 (8) |
| F6B—C4B—C3B | 111.1 (6) | C6C—C5C—C4C | 120.8 (8) |
| F7B—C4B—C3B | 110.9 (7) | F5D—C5D—C4D | 119.1 (7) |
| F9B—C8B—C3B | 110.0 (7) | F5D—C5D—C6D | 120.3 (8) |
| F10B—C8B—F9B | 107.0 (7) | C6D—C5D—C4D | 120.5 (8) |
| F10B—C8B—F11B | 107.7 (7) | F5E—C5E—C4E | 119.4 (8) |
| F10B—C8B—C3B | 111.6 (7) | F5E—C5E—C6E | 119.6 (8) |
| F11B—C8B—F9B | 107.2 (7) | C6E—C5E—C4E | 121.0 (8) |
| F11B—C8B—C3B | 113.1 (7) | F5F—C5F—C4F | 120.7 (8) |
| F13B—C12B—F15B | 107.4 (6) | F5F—C5F—C6F | 120.0 (8) |
| F13B—C12B—C3B | 110.3 (6) | C4F—C5F—C6F | 119.2 (8) |
| F14B—C12B—F13B | 107.8 (7) | F5G—C5G—C4G | 120.1 (8) |
| F14B—C12B—F15B | 107.9 (7) | F5G—C5G—C6G | 118.9 (8) |
| F14B—C12B—C3B | 111.0 (6) | C4G—C5G—C6G | 121.0 (7) |
| F15B—C12B—C3B | 112.3 (6) | F5H—C5H—C4H | 118.5 (8) |
| O16B—C17B—C18B | 114.1 (8) | F5H—C5H—C6H | 120.2 (8) |
| O16B—C17B—C22B | 109.7 (8) | C6H—C5H—C4H | 121.3 (8) |
| O16B—C17B—C26B | 107.3 (8) | N1F—C05L—C4F | 176.0 (10) |
| C18B—C17B—C26B | 106.8 (9) | F20—C6—C4 | 118.5 (10) |
| C22B—C17B—C18B | 110.9 (9) | F20—C6—C5 | 121.2 (10) |
| C22B—C17B—C26B | 107.7 (9) | C5—C6—C4 | 120.3 (8) |
| F19B—C18B—C17B | 109.8 (9) | F6C—C6C—C1C | 120.2 (8) |
| F20B—C18B—F19B | 106.4 (10) | F6C—C6C—C5C | 119.5 (8) |
| F20B—C18B—F21B | 109.4 (12) | C5C—C6C—C1C | 120.2 (9) |
| F20B—C18B—C17B | 111.1 (12) | F6D—C6D—C1D | 119.4 (8) |
| F21B—C18B—F19B | 104.6 (9) | F6D—C6D—C5D | 120.6 (8) |
| F21B—C18B—C17B | 115.1 (8) | C5D—C6D—C1D | 120.0 (8) |
| F23B—C22B—F24B | 107.6 (12) | F6E—C6E—C1E | 120.1 (8) |
| F23B—C22B—F25B | 108.1 (10) | F6E—C6E—C5E | 120.9 (9) |
| F23B—C22B—C17B | 114.4 (11) | C1E—C6E—C5E | 118.9 (9) |
| F24B—C22B—F25B | 105.0 (11) | F6F—C6F—C1F | 119.6 (8) |
| F24B—C22B—C17B | 109.5 (10) | F6F—C6F—C5F | 119.6 (8) |
| F25B—C22B—C17B | 111.6 (9) | C1F—C6F—C5F | 120.7 (8) |
| F27B—C26B—F28B | 105.8 (11) | F6G—C6G—C1G | 119.5 (8) |
| F27B—C26B—C17B | 110.2 (10) | F6G—C6G—C5G | 121.4 (8) |
| F28B—C26B—C17B | 110.6 (10) | C5G—C6G—C1G | 119.1 (8) |
| F29B—C26B—F27B | 107.0 (11) | F6H—C6H—C1H | 117.5 (8) |
| F29B—C26B—F28B | 107.5 (12) | F6H—C6H—C5H | 122.9 (9) |
| F29B—C26B—C17B | 115.2 (11) | C5H—C6H—C1H | 119.6 (8) |
| O30B—C31B—C32B | 107.4 (6) | F3A—C7—C2A | 119.9 (8) |
| O30B—C31B—C36B | 108.8 (6) | F3A—C7—C8 | 118.2 (7) |
| O30B—C31B—C40B | 112.1 (6) | C2A—C7—C8 | 121.8 (8) |
| C36B—C31B—C32B | 107.9 (6) | N1A—C7A—C8 | 178.9 (10) |
| C40B—C31B—C32B | 109.8 (7) | N1B—C7B—C9 | 176.3 (10) |
| C40B—C31B—C36B | 110.9 (7) | N1C—C7C—C4C | 178.4 (11) |
| F33B—C32B—F34B | 108.1 (7) | N1D—C7D—C4D | 179.2 (10) |
| F33B—C32B—C31B | 110.4 (7) | N1E—C7E—C4E | 178.0 (10) |
| F34B—C32B—C31B | 111.9 (7) | N1G—C7G—C4G | 179.7 (10) |
| F35B—C32B—F33B | 108.0 (7) | N1H—C7H—C4H | 176.4 (9) |
| F35B—C32B—F34B | 106.8 (7) | C7—C8—C2 | 116.4 (7) |
| F35B—C32B—C31B | 111.3 (7) | C7—C8—C7A | 121.8 (8) |
| F37B—C36B—C31B | 108.9 (7) | C7A—C8—C2 | 121.8 (7) |
| F38B—C36B—F37B | 106.5 (7) | F9A—C8A—F10A | 106.6 (8) |
| F38B—C36B—C31B | 112.3 (7) | F9A—C8A—C3A | 109.6 (8) |
| F39B—C36B—F37B | 106.9 (8) | F10A—C8A—C3A | 110.7 (7) |
| F39B—C36B—F38B | 109.0 (7) | F11A—C8A—F9A | 106.4 (8) |
| F39B—C36B—C31B | 113.0 (7) | F11A—C8A—F10A | 106.9 (8) |
| F41B—C40B—C31B | 112.5 (7) | F11A—C8A—C3A | 116.1 (8) |
| F42B—C40B—F41B | 105.6 (8) | C5—C9—C7B | 122.8 (8) |
| F42B—C40B—C31B | 111.3 (7) | C5—C9—C12 | 118.1 (8) |
| F43B—C40B—F41B | 107.8 (8) | C12—C9—C7B | 119.0 (8) |
| F43B—C40B—F42B | 107.9 (8) | F3B—C12—C2B | 119.5 (8) |
| F43B—C40B—C31B | 111.4 (7) | F3B—C12—C9 | 119.5 (8) |
| O44B—C45B—C46B | 109.5 (6) | C2B—C12—C9 | 121.0 (8) |
| O44B—C45B—C50B | 109.2 (7) | F13A—C12A—C3A | 108.6 (7) |
| O44B—C45B—C54B | 111.4 (7) | F14A—C12A—F13A | 105.3 (8) |
| C50B—C45B—C46B | 107.5 (7) | F14A—C12A—C3A | 112.1 (7) |
| C50B—C45B—C54B | 111.2 (8) | F15A—C12A—F13A | 110.3 (8) |
| C54B—C45B—C46B | 107.9 (8) | F15A—C12A—F14A | 108.2 (8) |
| F47B—C46B—C45B | 111.3 (7) | F15A—C12A—C3A | 112.1 (8) |
| F48B—C46B—F47B | 107.7 (7) | O16A—C17A—C18A | 107.9 (7) |
| F48B—C46B—F49B | 107.0 (8) | O16A—C17A—C22A | 110.6 (7) |
| F48B—C46B—C45B | 112.4 (7) | O16A—C17A—C26A | 111.0 (7) |
| F49B—C46B—F47B | 107.5 (7) | C18A—C17A—C26A | 108.0 (8) |
| F49B—C46B—C45B | 110.8 (7) | C22A—C17A—C18A | 110.3 (8) |
| F51B—C50B—F52B | 106.7 (9) | C22A—C17A—C26A | 109.1 (8) |
| F51B—C50B—C45B | 113.3 (9) | F19A—C18A—F20A | 108.6 (8) |
| F52B—C50B—C45B | 111.5 (8) | F19A—C18A—F21A | 105.5 (9) |
| F53B—C50B—F51B | 106.9 (8) | F19A—C18A—C17A | 111.7 (8) |
| F53B—C50B—F52B | 106.7 (9) | F20A—C18A—F21A | 105.2 (8) |
| F53B—C50B—C45B | 111.4 (8) | F20A—C18A—C17A | 114.3 (9) |
| F55B—C54B—C45B | 108.4 (10) | F21A—C18A—C17A | 110.9 (8) |
| F56B—C54B—F55B | 107.3 (9) | F23A—C22A—C17A | 109.0 (10) |
| F56B—C54B—F57B | 109.9 (10) | F24A—C22A—F23A | 107.3 (10) |
| F56B—C54B—C45B | 112.2 (8) | F24A—C22A—C17A | 114.1 (9) |
| F57B—C54B—F55B | 106.1 (9) | F25A—C22A—F23A | 105.7 (10) |
| F57B—C54B—C45B | 112.6 (8) | F25A—C22A—F24A | 108.0 (10) |
| C3A—O2A—Al1A | 148.3 (5) | F25A—C22A—C17A | 112.3 (9) |
| C17A—O16A—Al1A | 146.7 (5) | F27A—C26A—F28A | 109.7 (9) |
| C31A—O30A—Al1A | 148.0 (5) | F27A—C26A—F29A | 106.3 (8) |
| C45A—O44A—Al1A | 149.1 (5) | F27A—C26A—C17A | 111.2 (7) |
| C7A—N1A—Ag02 | 171.7 (7) | F28A—C26A—F29A | 107.2 (8) |
| C7B—N1B—Ag02 | 144.8 (8) | F28A—C26A—C17A | 110.9 (8) |
| C7C—N1C—Ag02 | 173.1 (7) | F29A—C26A—C17A | 111.3 (8) |
| C7D—N1D—Ag02 | 177.0 (7) | O30A—C31A—C32A | 110.4 (6) |
| C7E—N1E—Ag01 | 174.8 (8) | O30A—C31A—C36A | 111.3 (6) |
| C05L—N1F—Ag01 | 148.3 (7) | O30A—C31A—C40A | 108.1 (6) |
| C7G—N1G—Ag01 | 165.4 (7) | C32A—C31A—C36A | 107.9 (6) |
| C7H—N1H—Ag01 | 173.4 (7) | C40A—C31A—C32A | 109.4 (7) |
| F1A—C1—C2A | 119.5 (8) | C40A—C31A—C36A | 109.6 (6) |
| F1A—C1—C3 | 119.4 (8) | F33A—C32A—F34A | 106.2 (8) |
| C2A—C1—C3 | 121.1 (8) | F33A—C32A—F35A | 109.2 (7) |
| F1C—C1C—C2C | 120.3 (8) | F33A—C32A—C31A | 112.3 (7) |
| F1C—C1C—C6C | 118.9 (8) | F34A—C32A—C31A | 109.0 (7) |
| C2C—C1C—C6C | 120.8 (8) | F35A—C32A—F34A | 107.3 (7) |
| F1D—C1D—C2D | 120.6 (8) | F35A—C32A—C31A | 112.6 (7) |
| F1D—C1D—C6D | 119.4 (8) | F37A—C36A—F38A | 106.9 (6) |
| C2D—C1D—C6D | 120.0 (8) | F37A—C36A—C31A | 112.0 (6) |
| F1E—C1E—C2E | 119.7 (9) | F38A—C36A—C31A | 111.7 (6) |
| F1E—C1E—C6E | 119.2 (9) | F39A—C36A—F37A | 107.8 (6) |
| C6E—C1E—C2E | 121.1 (8) | F39A—C36A—F38A | 107.9 (6) |
| F1F—C1F—C2F | 119.1 (8) | F39A—C36A—C31A | 110.4 (6) |
| F1F—C1F—C6F | 120.4 (8) | F41A—C40A—F42A | 105.0 (7) |
| C6F—C1F—C2F | 120.5 (8) | F41A—C40A—C31A | 112.2 (7) |
| F1G—C1G—C2G | 119.8 (8) | F42A—C40A—C31A | 109.2 (7) |
| F1G—C1G—C6G | 119.8 (10) | F43A—C40A—F41A | 107.3 (7) |
| C2G—C1G—C6G | 120.4 (9) | F43A—C40A—F42A | 107.3 (7) |
| F1H—C1H—C2H | 121.4 (7) | F43A—C40A—C31A | 115.3 (7) |
| F1H—C1H—C6H | 119.7 (8) | O44A—C45A—C46A | 111.4 (7) |
| C2H—C1H—C6H | 118.9 (7) | O44A—C45A—C50A | 107.5 (6) |
| F1—C2—C3 | 119.9 (8) | O44A—C45A—C54A | 110.5 (7) |
| F1—C2—C8 | 118.2 (8) | C50A—C45A—C46A | 111.0 (7) |
| C3—C2—C8 | 121.9 (8) | C54A—C45A—C46A | 107.5 (8) |
| F2A—C2A—C1 | 120.3 (8) | C54A—C45A—C50A | 108.9 (7) |
| F2A—C2A—C7 | 120.4 (9) | F47A—C46A—F48A | 105.0 (8) |
| C7—C2A—C1 | 119.3 (8) | F47A—C46A—C45A | 112.9 (8) |
| F2B—C2B—C4 | 119.0 (8) | F48A—C46A—C45A | 110.2 (9) |
| F2B—C2B—C12 | 121.1 (7) | F49A—C46A—F47A | 109.6 (10) |
| C12—C2B—C4 | 119.9 (8) | F49A—C46A—F48A | 107.8 (10) |
| F2C—C2C—C1C | 120.5 (8) | F49A—C46A—C45A | 111.1 (9) |
| F2C—C2C—C3C | 121.4 (8) | F51A—C50A—F52A | 103.2 (9) |
| C3C—C2C—C1C | 118.0 (8) | F51A—C50A—C45A | 109.2 (8) |
| F2D—C2D—C1D | 119.9 (8) | F52A—C50A—C45A | 111.9 (8) |
| F2D—C2D—C3D | 119.5 (8) | F53A—C50A—F51A | 113.5 (10) |
| C1D—C2D—C3D | 120.5 (8) | F53A—C50A—F52A | 107.2 (8) |
| F2E—C2E—C1E | 119.9 (8) | F53A—C50A—C45A | 111.5 (7) |
| F2E—C2E—C3E | 120.3 (8) | F55A—C54A—F57A | 100.2 (9) |
| C3E—C2E—C1E | 119.8 (8) | F55A—C54A—C45A | 112.1 (7) |
| F00S—C2F—C1F | 119.9 (8) | F56A—C54A—F55A | 104.3 (8) |
| F00S—C2F—C3F | 121.1 (8) | F56A—C54A—F57A | 109.8 (8) |
| C3F—C2F—C1F | 118.9 (8) | F56A—C54A—C45A | 116.3 (10) |
| F2G—C2G—C1G | 119.4 (9) | F57A—C54A—C45A | 112.6 (7) |
| F2G—C2G—C3G | 120.1 (9) | O16B—C17C—C26C | 110.0 (19) |
| C1G—C2G—C3G | 120.3 (8) | O16B—C17C—C18C | 108.4 (17) |
| F2H—C2H—C1H | 117.4 (7) | O16B—C17C—C22C | 107.9 (18) |
| F2H—C2H—C3H | 121.7 (8) | C26C—C17C—C18C | 109 (2) |
| C3H—C2H—C1H | 121.0 (8) | C26C—C17C—C22C | 112.0 (19) |
| F2—C3—C1 | 119.5 (8) | C18C—C17C—C22C | 110 (2) |
| F2—C3—C2 | 121.2 (8) | F29C—C26C—C17C | 114 (3) |
| C2—C3—C1 | 119.3 (8) | F29C—C26C—F27C | 107 (3) |
| O2A—C3A—C4A | 112.0 (6) | F29C—C26C—F28C | 106 (3) |
| O2A—C3A—C8A | 110.9 (7) | F27C—C26C—C17C | 111 (2) |
| O2A—C3A—C12A | 108.6 (6) | F27C—C26C—F28C | 108 (3) |
| C8A—C3A—C4A | 108.1 (6) | F28C—C26C—C17C | 112 (2) |
| C8A—C3A—C12A | 110.3 (7) | F21C—C18C—C17C | 106 (2) |
| C12A—C3A—C4A | 106.8 (7) | F21C—C18C—F19C | 111 (3) |
| F3C—C3C—C2C | 117.9 (8) | F20C—C18C—C17C | 113 (2) |
| F3C—C3C—C4C | 119.8 (8) | F20C—C18C—F21C | 108 (3) |
| C4C—C3C—C2C | 122.3 (9) | F20C—C18C—F19C | 107 (3) |
| F3D—C3D—C2D | 119.6 (8) | F19C—C18C—C17C | 112 (3) |
| F3D—C3D—C4D | 119.9 (8) | F23C—C22C—C17C | 112 (3) |
| C4D—C3D—C2D | 120.5 (8) | F23C—C22C—F25C | 107 (3) |
| F3E—C3E—C2E | 120.9 (8) | F23C—C22C—F24C | 107 (3) |
| F3E—C3E—C4E | 118.9 (7) | F25C—C22C—C17C | 107 (2) |
| C2E—C3E—C4E | 120.1 (8) | F24C—C22C—C17C | 107 (2) |
| F3F—C3F—C2F | 119.3 (8) | F24C—C22C—F25C | 117 (3) |
| F3F—C3F—C4F | 120.4 (8) | ||
| Al1A—O2A—C3A—C4A | 5.1 (12) | O2A—C3A—C4A—F6A | −165.9 (6) |
| Al1A—O2A—C3A—C8A | 125.9 (9) | O2A—C3A—C4A—F7A | 74.4 (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—F10A | 73.7 (9) |
| Al1A—O16A—C17A—C22A | 71.1 (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—C32A | 86.1 (10) | O2A—C3A—C12A—F14A | −163.4 (7) |
| Al1A—O30A—C31A—C36A | −33.7 (12) | O2A—C3A—C12A—F15A | 74.7 (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—C50A | 163.8 (8) | O16A—Al1A—O44A—C45A | −78.8 (11) |
| Al1A—O44A—C45A—C54A | 45.1 (13) | O16A—C17A—C18A—F19A | 76.5 (9) |
| Al1B—O2B—C3B—C4B | −68.1 (11) | O16A—C17A—C18A—F20A | −159.6 (8) |
| Al1B—O2B—C3B—C8B | 173.5 (7) | O16A—C17A—C18A—F21A | −40.9 (10) |
| Al1B—O2B—C3B—C12B | 53.9 (12) | O16A—C17A—C22A—F23A | 73.8 (10) |
| Al1B—O16B—C17B—C18B | −27.7 (15) | O16A—C17A—C22A—F24A | −166.3 (10) |
| Al1B—O16B—C17B—C22B | 97.4 (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—F28A | 81.8 (9) |
| Al1B—O16B—C17C—C18C | −36 (4) | O16A—C17A—C26A—F29A | −158.9 (8) |
| Al1B—O16B—C17C—C22C | 83 (3) | O30A—Al1A—O2A—C3A | 69.7 (9) |
| Al1B—O30B—C31B—C32B | 129.5 (8) | O30A—Al1A—O16A—C17A | 154.3 (9) |
| Al1B—O30B—C31B—C36B | −114.0 (9) | O30A—Al1A—O44A—C45A | 41.6 (11) |
| Al1B—O30B—C31B—C40B | 8.9 (13) | O30A—C31A—C32A—F33A | −46.8 (9) |
| Al1B—O44B—C45B—C46B | −61.8 (13) | O30A—C31A—C32A—F34A | 70.6 (8) |
| Al1B—O44B—C45B—C50B | −179.2 (8) | O30A—C31A—C32A—F35A | −170.5 (7) |
| Al1B—O44B—C45B—C54B | 57.5 (14) | O30A—C31A—C36A—F37A | 82.6 (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—F42A | 75.7 (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—F7B | 77.5 (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—F10B | 76.1 (8) | O44A—C45A—C46A—F47A | −167.5 (8) |
| O2B—C3B—C8B—F11B | −162.2 (7) | O44A—C45A—C46A—F48A | 75.4 (10) |
| O2B—C3B—C12B—F13B | 73.9 (8) | O44A—C45A—C46A—F49A | −43.9 (11) |
| O2B—C3B—C12B—F14B | −45.5 (9) | O44A—C45A—C50A—F51A | 76.3 (10) |
| O2B—C3B—C12B—F15B | −166.4 (6) | O44A—C45A—C50A—F52A | −170.0 (8) |
| O16B—Al1B—O2B—C3B | 161.5 (9) | O44A—C45A—C50A—F53A | −50.0 (10) |
| O16B—Al1B—O30B—C31B | 74.2 (10) | O44A—C45A—C54A—F55A | 69.0 (9) |
| O16B—Al1B—O44B—C45B | 44.1 (11) | O44A—C45A—C54A—F56A | −171.1 (8) |
| O16B—C17B—C18B—F19B | 81.0 (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—F23B | 71.7 (13) | C1C—C2C—C3C—F3C | 179.7 (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—F3D | 177.4 (8) |
| O16B—C17B—C26B—F27B | −39.9 (13) | C1D—C2D—C3D—C4D | −2.0 (14) |
| O16B—C17B—C26B—F28B | 76.7 (12) | C1E—C2E—C3E—F3E | −178.9 (7) |
| O16B—C17B—C26B—F29B | −161.1 (11) | C1E—C2E—C3E—C4E | 1.4 (12) |
| O16B—C17C—C26C—F29C | 160 (3) | C1F—C2F—C3F—F3F | 177.8 (7) |
| O16B—C17C—C26C—F27C | −79 (3) | C1F—C2F—C3F—C4F | −3.3 (11) |
| O16B—C17C—C26C—F28C | 41 (3) | C1G—C2G—C3G—F3G | 179.6 (8) |
| O16B—C17C—C18C—F21C | 159 (2) | C1G—C2G—C3G—C4G | −4.4 (12) |
| O16B—C17C—C18C—F20C | −83 (3) | C1H—C2H—C3H—F3H | 179.7 (8) |
| O16B—C17C—C18C—F19C | 38 (3) | C1H—C2H—C3H—C4H | 3.3 (13) |
| O16B—C17C—C22C—F23C | 45 (3) | C2A—C1—C3—F2 | −178.8 (8) |
| O16B—C17C—C22C—F25C | 163 (2) | C2A—C1—C3—C2 | −0.3 (12) |
| O16B—C17C—C22C—F24C | −72 (3) | C2A—C7—C8—C2 | 2.6 (11) |
| O30B—Al1B—O2B—C3B | 42.3 (10) | C2A—C7—C8—C7A | −176.0 (8) |
| O30B—Al1B—O16B—C17B | 91.9 (10) | C2B—C4—C6—F20 | 178.9 (7) |
| O30B—Al1B—O16B—C17C | 80 (3) | C2B—C4—C6—C5 | −1.6 (12) |
| O30B—Al1B—O44B—C45B | 164.6 (10) | C2C—C1C—C6C—F6C | 177.8 (8) |
| O30B—C31B—C32B—F33B | −47.4 (9) | C2C—C1C—C6C—C5C | 0.8 (13) |
| O30B—C31B—C32B—F34B | −167.9 (6) | C2C—C3C—C4C—C5C | 1.3 (12) |
| O30B—C31B—C32B—F35B | 72.6 (8) | C2C—C3C—C4C—C7C | −178.4 (8) |
| O30B—C31B—C36B—F37B | 79.7 (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—C5D | 2.4 (13) |
| O30B—C31B—C40B—F41B | −167.4 (7) | C2D—C3D—C4D—C7D | 179.2 (8) |
| O30B—C31B—C40B—F42B | 74.4 (9) | C2E—C1E—C6E—F6E | 175.9 (8) |
| O30B—C31B—C40B—F43B | −46.2 (10) | C2E—C1E—C6E—C5E | 0.0 (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—C7E | 179.1 (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—C5F | 3.5 (11) |
| O44B—C45B—C46B—F48B | −42.1 (10) | C2F—C3F—C4F—C05L | 177.8 (7) |
| O44B—C45B—C46B—F49B | 77.5 (9) | C2G—C1G—C6G—F6G | 178.2 (8) |
| O44B—C45B—C50B—F51B | −164.5 (8) | C2G—C1G—C6G—C5G | −0.1 (13) |
| O44B—C45B—C50B—F52B | 75.1 (9) | C2G—C3G—C4G—C5G | 3.0 (11) |
| O44B—C45B—C50B—F53B | −43.9 (11) | C2G—C3G—C4G—C7G | 178.3 (7) |
| O44B—C45B—C54B—F55B | 78.2 (9) | C2H—C1H—C6H—F6H | −178.9 (8) |
| O44B—C45B—C54B—F56B | −40.1 (12) | C2H—C1H—C6H—C5H | 0.3 (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—F2A | 178.8 (8) |
| C4B—C3B—C8B—F11B | 77.2 (8) | C3—C1—C2A—C7 | 0.7 (13) |
| C4B—C3B—C12B—F13B | −162.8 (6) | C3—C2—C8—C7 | −2.2 (12) |
| C4B—C3B—C12B—F14B | 77.7 (8) | C3—C2—C8—C7A | 176.5 (8) |
| C4B—C3B—C12B—F15B | −43.1 (9) | C3C—C4C—C5C—F5C | 178.8 (7) |
| C8B—C3B—C4B—F5B | −43.3 (8) | C3C—C4C—C5C—C6C | −0.6 (12) |
| C8B—C3B—C4B—F6B | 77.8 (8) | C3D—C4D—C5D—F5D | 178.7 (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—C6E | 2.5 (12) |
| C8B—C3B—C12B—F15B | 75.0 (8) | C3F—C4F—C5F—F5F | 180.0 (7) |
| C12B—C3B—C4B—F5B | 75.7 (8) | C3F—C4F—C5F—C6F | −2.3 (11) |
| C12B—C3B—C4B—F6B | −163.1 (6) | C3G—C4G—C5G—F5G | 179.0 (7) |
| C12B—C3B—C4B—F7B | −45.2 (8) | C3G—C4G—C5G—C6G | −0.2 (12) |
| C12B—C3B—C8B—F9B | 77.8 (8) | C3H—C4H—C5H—F5H | 179.3 (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—F24B | 77.7 (11) | C4A—C3A—C8A—F9A | 79.5 (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—F29B | 76.1 (14) | C4A—C3A—C12A—F14A | 75.6 (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—F21B | 74.1 (14) | C4C—C5C—C6C—C1C | −0.4 (13) |
| C22B—C17B—C26B—F27B | 78.1 (12) | C4D—C5D—C6D—F6D | 178.9 (8) |
| C22B—C17B—C26B—F28B | −165.2 (10) | C4D—C5D—C6D—C1D | 1.8 (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—F20B | 82.0 (12) | C4F—C5F—C6F—F6F | 180.0 (7) |
| C26B—C17B—C18B—F21B | −43.0 (14) | C4F—C5F—C6F—C1F | 0.9 (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—F25B | 78.4 (13) | C4H—C5H—C6H—F6H | −179.5 (7) |
| C32B—C31B—C36B—F37B | −164.2 (7) | C4H—C5H—C6H—C1H | 1.4 (12) |
| C32B—C31B—C36B—F38B | −46.5 (10) | C5—C9—C12—F3B | 178.7 (7) |
| C32B—C31B—C36B—F39B | 77.3 (8) | C5—C9—C12—C2B | 0.9 (12) |
| C32B—C31B—C40B—F41B | 73.4 (10) | C05L—C4F—C5F—F5F | 5.9 (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—F34B | 75.0 (9) | C6C—C1C—C2C—F2C | 177.4 (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—F2D | 179.5 (8) |
| C36B—C31B—C40B—F42B | −163.8 (6) | C6D—C1D—C2D—C3D | 1.4 (13) |
| C36B—C31B—C40B—F43B | 75.6 (9) | C6E—C1E—C2E—F2E | 177.3 (8) |
| C40B—C31B—C32B—F33B | 74.7 (8) | C6E—C1E—C2E—C3E | −0.1 (13) |
| C40B—C31B—C32B—F34B | −45.9 (9) | C6F—C1F—C2F—F00S | 178.7 (7) |
| C40B—C31B—C32B—F35B | −165.3 (7) | C6F—C1F—C2F—C3F | 1.9 (11) |
| C40B—C31B—C36B—F37B | −44.0 (9) | C6G—C1G—C2G—F2G | 177.7 (8) |
| C40B—C31B—C36B—F38B | 73.6 (9) | C6G—C1G—C2G—C3G | 2.9 (13) |
| C40B—C31B—C36B—F39B | −162.6 (7) | C6H—C1H—C2H—F2H | 177.6 (8) |
| C46B—C45B—C50B—F51B | 76.9 (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—C2B | 178.3 (8) |
| C46B—C45B—C54B—F55B | −161.6 (7) | C7C—C4C—C5C—F5C | −1.5 (11) |
| C46B—C45B—C54B—F56B | 80.1 (10) | C7C—C4C—C5C—C6C | 179.1 (8) |
| C46B—C45B—C54B—F57B | −44.5 (12) | C7D—C4D—C5D—F5D | 1.9 (13) |
| C50B—C45B—C46B—F47B | −44.5 (9) | C7D—C4D—C5D—C6D | −179.2 (8) |
| C50B—C45B—C46B—F48B | 76.4 (9) | C7E—C4E—C5E—F5E | 0.2 (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—F5G | 3.7 (11) |
| C50B—C45B—C54B—F56B | −162.2 (9) | C7G—C4G—C5G—C6G | −175.5 (8) |
| C50B—C45B—C54B—F57B | 73.2 (13) | C7H—C4H—C5H—F5H | −4.0 (11) |
| C54B—C45B—C46B—F47B | 75.6 (9) | C7H—C4H—C5H—C6H | 176.0 (8) |
| C54B—C45B—C46B—F48B | −163.6 (8) | C8—C2—C3—F2 | 179.6 (7) |
| C54B—C45B—C46B—F49B | −43.9 (9) | C8—C2—C3—C1 | 1.1 (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—F6A | 71.6 (9) |
| C54B—C45B—C50B—F53B | 79.4 (10) | C8A—C3A—C4A—F7A | −48.2 (9) |
| F00S—C2F—C3F—F3F | 1.1 (11) | C8A—C3A—C12A—F13A | 74.3 (8) |
| F00S—C2F—C3F—C4F | 180.0 (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—C7 | 178.2 (7) | C9—C5—C6—C4 | 2.0 (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—C6 | 0.9 (12) |
| F1A—C1—C2A—C7 | 179.5 (7) | C12A—C3A—C4A—F5A | 74.9 (8) |
| F1A—C1—C3—F2 | 2.4 (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—C5 | 178.5 (8) | C12A—C3A—C8A—F10A | −46.7 (10) |
| F1C—C1C—C2C—F2C | −1.4 (12) | C12A—C3A—C8A—F11A | 75.4 (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—F24A | 74.4 (13) |
| F1C—C1C—C6C—C5C | 179.6 (8) | C18A—C17A—C22A—F25A | −162.3 (9) |
| F1D—C1D—C2D—F2D | −0.3 (13) | C18A—C17A—C26A—F27A | 77.4 (9) |
| F1D—C1D—C2D—C3D | −178.4 (8) | C18A—C17A—C26A—F28A | −160.2 (8) |
| F1D—C1D—C6D—F6D | 1.3 (13) | C18A—C17A—C26A—F29A | −40.9 (11) |
| F1D—C1D—C6D—C5D | 178.4 (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—C3E | 179.8 (8) | C22A—C17A—C18A—F21A | 80.1 (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—F29A | 78.9 (10) |
| F1F—C1F—C2F—C3F | 180.0 (7) | C26A—C17A—C18A—F19A | −43.5 (10) |
| F1F—C1F—C6F—F6F | 2.2 (11) | C26A—C17A—C18A—F20A | 80.4 (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—F25A | 79.3 (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—F38A | 81.3 (8) |
| F1H—C1H—C2H—C3H | 177.6 (8) | C32A—C31A—C36A—F39A | −158.7 (6) |
| F1H—C1H—C6H—F6H | 0.9 (12) | C32A—C31A—C40A—F41A | 80.0 (8) |
| F1H—C1H—C6H—C5H | −179.9 (7) | C32A—C31A—C40A—F42A | −164.0 (6) |
| F2A—C2A—C7—F3A | 3.5 (12) | C32A—C31A—C40A—F43A | −43.2 (10) |
| F2A—C2A—C7—C8 | 180.0 (7) | C36A—C31A—C32A—F33A | 75.0 (8) |
| F2B—C2B—C4—F1B | 0.7 (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—F3B | 1.7 (12) | C36A—C31A—C40A—F41A | −161.9 (7) |
| F2B—C2B—C12—C9 | 179.5 (7) | C36A—C31A—C40A—F42A | −45.9 (8) |
| F2C—C2C—C3C—F3C | 2.2 (12) | C36A—C31A—C40A—F43A | 74.9 (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—C4D | 180.0 (8) | C40A—C31A—C32A—F35A | 70.6 (9) |
| F2E—C2E—C3E—F3E | 3.7 (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—F3G | 4.8 (12) | C40A—C31A—C36A—F39A | 82.2 (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—F52A | 67.9 (11) |
| F2H—C2H—C3H—C4H | −176.9 (8) | C46A—C45A—C50A—F53A | −172.0 (8) |
| F3A—C7—C8—C2 | 179.2 (7) | C46A—C45A—C54A—F55A | −169.2 (7) |
| F3A—C7—C8—C7A | 0.5 (11) | C46A—C45A—C54A—F56A | −49.3 (10) |
| F3C—C3C—C4C—C5C | −179.4 (7) | C46A—C45A—C54A—F57A | 78.7 (10) |
| F3C—C3C—C4C—C7C | 1.0 (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—F49A | 75.8 (10) |
| F3E—C3E—C4E—C5E | 177.7 (7) | C50A—C45A—C54A—F55A | −48.9 (10) |
| F3E—C3E—C4E—C7E | −0.6 (12) | C50A—C45A—C54A—F56A | 71.0 (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—F47A | 71.2 (11) |
| F3G—C3G—C4G—C5G | 179.1 (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—C7H | 5.2 (12) | C54A—C45A—C50A—F52A | −50.3 (11) |
| F5C—C5C—C6C—F6C | 3.2 (12) | C54A—C45A—C50A—F53A | 69.8 (10) |
| F5C—C5C—C6C—C1C | −179.8 (7) | C26C—C17C—C18C—F21C | −81 (3) |
| F5D—C5D—C6D—F6D | −2.2 (14) | C26C—C17C—C18C—F20C | 37 (3) |
| F5D—C5D—C6D—C1D | −179.2 (8) | C26C—C17C—C18C—F19C | 157 (3) |
| F5E—C5E—C6E—F6E | 3.6 (13) | C26C—C17C—C22C—F23C | −76 (3) |
| F5E—C5E—C6E—C1E | 179.4 (8) | C26C—C17C—C22C—F25C | 41 (3) |
| F5F—C5F—C6F—F6F | −2.3 (12) | C26C—C17C—C22C—F24C | 167 (2) |
| F5F—C5F—C6F—C1F | 178.7 (7) | C18C—C17C—C26C—F29C | 42 (3) |
| F5G—C5G—C6G—F6G | 1.3 (12) | C18C—C17C—C26C—F27C | 162 (2) |
| F5G—C5G—C6G—C1G | 179.5 (7) | C18C—C17C—C26C—F28C | −78 (3) |
| F5H—C5H—C6H—F6H | 0.5 (13) | C18C—C17C—C22C—F23C | 163 (3) |
| F5H—C5H—C6H—C1H | −178.7 (7) | C18C—C17C—C22C—F25C | −80 (3) |
| F18—C5—C6—F20 | 2.0 (13) | C18C—C17C—C22C—F24C | 46 (3) |
| F18—C5—C6—C4 | −177.5 (8) | C22C—C17C—C26C—F29C | −80 (3) |
| F18—C5—C9—C7B | 0.6 (13) | C22C—C17C—C26C—F27C | 41 (3) |
| F18—C5—C9—C12 | 177.9 (8) | C22C—C17C—C26C—F28C | 161 (3) |
| O2A—Al1A—O16A—C17A | 32.5 (10) | C22C—C17C—C18C—F21C | 41 (3) |
| O2A—Al1A—O30A—C31A | 92.4 (9) | C22C—C17C—C18C—F20C | 160 (2) |
| O2A—Al1A—O44A—C45A | 162.8 (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).
References
Akkuş, N., Decken, A., Knapp, C. & Passmore, J. (2006). J. Chem. Crystallogr. 36, 321–329. Google Scholar
Bruker (2024). APEX6 and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA. Google Scholar
Dolomanov, O. V., Bourhis, L. J., Gildea, R. J., Howard, J. A. K. & Puschmann, H. (2009). J. Appl. Cryst. 42, 339–341. Web of Science CrossRef CAS IUCr Journals Google Scholar
Engesser, T. A., Kratzert, D. & Krossing, I. (2018). Z. Anorg. Allg. Chem. 644, 652–656. CrossRef CAS Google Scholar
Groom, C. R., Bruno, I. J., Lightfoot, M. P. & Ward, S. C. (2016). Acta Cryst. B72, 171–179. Web of Science CrossRef IUCr Journals Google Scholar
Harris, R. K., Becker, E. D., Cabral de Menezes, S., Goodfellow, R. & Granger, P. (2001). Pure Appl. Chem. 73, 1795–1818. CrossRef CAS Google Scholar
Jadwiszczak, M. J. & Malinowski, P. J. (2023). Chem. Eur. J. 29, e202202976. Web of Science CrossRef PubMed Google Scholar
Kim, E. H., Lee, H. M., Jeong, M. S., Ryu, J. Y., Lee, J. & Lee, B. Y. (2017). ACS Omega 2, 765–773. Web of Science CSD CrossRef CAS PubMed Google Scholar
Krause, L., Herbst-Irmer, R., Sheldrick, G. M. & Stalke, D. (2015). J. Appl. Cryst. 48, 3–10. Web of Science CSD CrossRef ICSD CAS IUCr Journals Google Scholar
Krossing, I. (2001). Chem. Eur. J. 7, 490–502. Web of Science CrossRef PubMed CAS Google Scholar
Malinowski, P. J., Zhuravlev, V., Jaroń, T., Santiso-Quinones, G. & Krossing, I. (2021). Dalton Trans. 50, 2050–2056. CrossRef CAS PubMed Google Scholar
Sheldrick, G. M. (2015a). Acta Cryst. A71, 3–8. Web of Science CrossRef IUCr Journals Google Scholar
Sheldrick, G. M. (2015b). Acta Cryst. C71, 3–8. Web of Science CrossRef IUCr Journals Google Scholar
Zhang, Y., Santos, A. M., Herdtweck, E., Mink, J. & Kühn, F. E. (2005). New J. Chem. 29, 366–370. CrossRef CAS Google Scholar
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