research communications
of a binuclear mixed-valence ytterbium complex containing a 2-anthracene-substituted phenoxide ligand
aDepartment of Chemistry, University of Victoria, PO Box 1700 Stn CSC, Victoria, BC, V8W 2Y2, Canada, and bSchool of Chemistry, Trinity College Dublin, University of Dublin, Dublin 2, Ireland
*Correspondence e-mail: djberg@uvic.ca
Reaction of 2-(anthracen-9-yl)phenol (HOPhAn, 1) with divalent Yb[N(SiMe3)2]2·2THF in THF–toluene mixtures affords the mixed-valence YbII–YbIII dimer {[2-(anthracen-9-yl)phenolato-κO]bis(tetrahydrofuran)ytterbium(III)}-tris[μ-2-(anthracen-9-yl)phenolato]-κ4O:O;κO:1,2-η,κO-{[2-(anthracen-9-yl)phenolato-κO]ytterbium(II)} toluene trisolvate, [Yb2(C20H13O)5(C4H8O)2]·3C7H7 or [YbIII(THF)2(OPhAn)](μ-OPhAn)3[YbII(OPhAn)]·3C7H7 (2), as the major product. It crystallized as a toluene trisolvate. The Yb—O bond lengths in the of this dimer clearly identify the YbII and YbIII centres. Interestingly, the formally four-coordinate YbII centre shows a close contact with one anthracene C—C bond of a bridging OPhAn ligand, bringing the formal to five.
Keywords: crystal structure; aryloxide; ytterbium; mixed valence; arene coordination.
CCDC reference: 1947717
1. Chemical context
One of the classical methods for introducing ligands into the metal coordination sphere in lanthanide chemistry is by a protonolysis or acid–base reaction that eliminates a suitable protonated ligand from the coordination sphere. The advantage of this method is that it avoids the formation of additional complexes (`ate' salt complexes) often favoured during metathesis reactions (Fig. 1) (Evans, 2000; Volker et al., 2019). However, in the case of divalent ytterbium, the metal is a relatively good reducing agent that can lead to competing redox chemistry with the formation of unexpected trivalent ytterbium products (Kagan & Namy, 1984). We have observed that these redox reactions become more problematic the more acidic the incoming `acid' is. In the case of and reduction of the O—H bond is sometimes observed but there are also instances where the product remains divalent (Delbridge et al., 2007; Binda et al., 2008). In the case of 2-(anthracen-9-yl)phenol (HOPhAn) discussed here, partial O—H reduction is observed, resulting in a mixed-valence YbII–YbIII dimer featuring bridging aryloxides.
2. Structural commentary
The structure of complex 2 (without the three toluenes of solvation) is shown in Fig. 2. The inner coordination environment is depicted in Figs. 3 and 4. In Fig. 3, the anthracene groups have been removed for clarity, except for the 9-anthracene C atoms. In Fig. 4, the structure has been further simplified by removing all of the PhAn C atoms except that directly attached to the phenoxide O atom. In both Figs. 3 and 4, all the C atoms of the PhAn ligand that show close contacts with Yb2 through atoms C18d and C19d are depicted.
The two Yb centres in 2 are connected [Yb1⋯Yb2 = 3.2587 (7) Å; Table 1] by three bridging OPhAn aryloxides and each Yb atom is also bound to two terminal aryloxides. Atom Yb1 is further coordinated by two THF ligands, bringing the to 6, while Yb2 shows the aforementioned close contacts with C18d and C19d for a of 5 (taking the C18d—C19d bond as occupying the fifth coordination site). Based on the stoichiometry, 2 is expected to be a YbII/YbIII mixed-valence complex. Selected bond lengths and angles and close contacts between Yb2 and the C atoms of one anthracene group are listed in Table 1. The substantially shorter terminal and bridging Yb1—OPhAn distances [terminal: 2.077 (3) Å; bridging: 2.191 (3)–2.236 (3) Å] compared to Yb2—OPhAn [terminal: 2.165 (3) Å; bridging: 2.352 (3)–2.416 (3) Å] indicate that Yb1 is trivalent, while Yb2 is divalent.
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For ytterbium, the Cambridge Structural Database (CSD, Version 5.38, last update November 2018; Groom et al., 2016) lists 10 bridging and 88 terminal structures containing nonchelating aryloxides. These structures represent both YbII and YbIII oxidation states but there is only one structure containing a bridging aryloxide that contains both YbII and YbIII in a mixed-valence complex (Deacon et al., 2009). The supporting information (CSD search S1) lists the CSD refcodes and references of structures containing Yb terminal and bridging nonchelating aryloxides used in the structural discussion below.
The terminal and bridging distances for Yb1 compare well with other six-coordinate trivalent Yb aryloxides (terminal: 2.023–2.258, median 2.077 Å; bridging: 2.215–2.246, median 2.240 Å).
The terminal and bridging distances for Yb2 also agree fairly well with other five-coordinate divalent Yb aryloxides (terminal: 2.168–2.233, median 2.215 Å; bridging: 2.245–2.356, median 2.309 Å).
The terminal Yb2—OPhAn distance is at the short end of the observed range, while the bridging distance is somewhat longer than expected based on literature comparisons (see S1 in the supporting information).
The Yb1—O(THF) distances [2.306 (3) and 2.309 (6) Å] are typical of six-coordinate YbIII—O(THF) bond lengths (2.251–2.509 Å; median 2.342 Å) and indicate that the Yb centre is not overly crowded (see CSD search S1 in the supporting information). The most noteworthy feature in the structure of 2 is the presence of a close contact between two anthracene C atoms of one bridging OPhAn ligand and Yb2 [Yb2—C18d = 3.190 (3) Å and Yb2—C19d = 2.970 (3) Å]. This is well within the wide range recognized for weak YbII–arene interactions (2.795–3.651 Å, median 2.98 Å) after correction to five-coordination.
It appears that the YbII centre prefers to satisfy its electron deficiency by coordination of an anthracene π-bond (or the anthracene C—H bonds) rather than coordinating a further molecule of THF.
3. Supramolecular features
The only noteworthy interactions observable in the 2 are C—H⋯π interactions, both intra- and intermolecular (see Table S2 in the supporting information). Interstitial space is filled with three toluene molecules of solvation (all disordered over two positions; see §5, Refinement).
of complex4. Synthesis and crystallization
4.1. Materials and instrumentation
All solvents were purchased from Sigma–Aldrich Chemicals and dried by distillation from sodium under nitrogen. The 2-(anthracen-9-yl)phenol was purified by recrystallization from hot toluene, while Yb[N(SiMe)3]2(THF)2 was prepared by analogy to the procedure of Hitchcock et al. (2002) using NaN(SiMe3)2 and YbI2(THF)x, and recrystallized from hot hexane. NMR spectra were recorded on a Bruker AV III 300 MHz Spectrometer in sealable Teflon-valved tubes and were referenced to residual solvent resonances. The line widths at half maximum (ν1/2 in Hz) were measured for all paramagnetic resonances and are reported below. Elemental analyses were performed by Canadian Microanalytical Ltd.
4.2. Synthesis of complex 2
The reaction scheme for the synthesis of complex 2 is illustrated in Fig. 5. A solution of 2-(anthracen-9-yl)phenol (0.100 g, 0.370 mmol) in THF (10 ml) was prepared in a glove-box and added by Pasteur pipette to a vigorously stirred solution of Yb[N(SiMe)3]2(THF)2 (0.078 g, 0.12 mmol) in toluene (10 ml). The deep-orange solution darkened to red on stirring overnight. The solution was filtered through Celite on a sintered glass frit and the filtrate was evaporated to dryness under reduced pressure. The red solid was recrystallized from a mixture of toluene and hexane at 143 K, yielding deep-orange crystals (yield 0.079 g, 62%). 1H NMR (C6D6, 300 MHz, 296 K): δ 88.4 (6H, ν1/2 = 700 Hz), 49.4 (3H, overlaps next resonance), 47.9 (6H, ν1/2 = 350 Hz, overlaps previous resonance), 12.86 (2H, ν1/2 = 9 Hz), 11.70 (4H, ν1/2 = 12 Hz), 10.93 (4H, ν1/2 = 12 Hz), 10.00 (4H, ν1/2 = 25 Hz), 9.30 (4H, ν1/2 = 70 Hz), 1.26 (2H, t), 0.96 (2H, t), −2.77 (3H, ν1/2 = 100 Hz), −3.89 (2H, ν1/2 = 14 Hz), −5.38 (2H, ν1/2 = 20 Hz), −11.2 (6H, ν1/2 ∼ 150 Hz, overlaps next resonance), −11.4 (6H, ν1/2 ∼ 300 Hz, overlaps previous resonance), −16.0 (3H, ν1/2 = 140 Hz), −24.4 (3H, ν1/2 = 800 Hz), −77.2 (3H, ν1/2 = 600 Hz). Analysis calculated for C129H105O7Yb2 (%): C 73.30, H 5.01; found: C 72.55, H 4.87.
5. Refinement
Crystal data, data collection and structure . The C-bound H atoms were included in calculated positions and treated as riding atoms: C—H = 0.95–0.99 Å, with Uiso(H) = 1.5Ueq(C) for methyl H atoms and 1.2Ueq(C) for other H atoms.
details are summarized in Table 2One bridging ligand, O7/C1e–C20e:O7/C1f–C20f, was disordered and modelled in two positions, with an occupancy ratio of 0.533 (3):0.467 (3), using rigid groups and restraints. A metal-coordinated THF molecule, O6a/C21a–C24a:O6b/C21b–C24b, is also disordered and was modelled in two positions, with an occupancy ratio of 0.542 (9):0.458 (9), using restraints. Three toluene solvent molecules are also present and are all disordered over two positions; they were modelled with rigid groups and restraints; the C29 and C43 toluene molecules were modelled at 50% occupancy each and the C36 toluene molecule was modelled with an occupancy ratio of 0.682 (9):0.318 (9).
The largest peak in the final difference electron density synthesis is near atom Yb1 and the largest hole is near atom C19d; the r.m.s. deviation is 0.11 e Å−3.
Supporting information
CCDC reference: 1947717
https://doi.org/10.1107/S205698901901154X/su5510sup1.cif
contains datablocks Global, I. DOI:Structure factors: contains datablock I. DOI: https://doi.org/10.1107/S205698901901154X/su5510Isup2.hkl
CSD search S1: CSD refcodes and references; C-H...pi interactions: Table S2. DOI: https://doi.org/10.1107/S205698901901154X/su5510sup3.pdf
Data collection: SMART (Bruker, 2002); cell
SAINT (Bruker, 2002); data reduction: SAINT (Bruker, 2002); program(s) used to solve structure: SHELXS (Sheldrick, 2008); program(s) used to refine structure: SHELXL (Sheldrick, 2015); molecular graphics: OLEX2 (Dolomanov et al., 2009); software used to prepare material for publication: OLEX2 (Dolomanov et al., 2009).[Yb2(C20H13O)5(C4H8O)2]·3C7H7 | F(000) = 4300 |
Mr = 2113.20 | Dx = 1.458 Mg m−3 |
Monoclinic, P21/c | Mo Kα radiation, λ = 0.71073 Å |
a = 14.4612 (7) Å | Cell parameters from 9535 reflections |
b = 20.8473 (10) Å | θ = 2.3–29.7° |
c = 32.0864 (15) Å | µ = 1.99 mm−1 |
β = 95.508 (1)° | T = 83 K |
V = 9628.6 (8) Å3 | Fragment, orange |
Z = 4 | 0.4 × 0.37 × 0.1 mm |
Bruker SMART CCD area detector diffractometer | 22107 independent reflections |
Parallel, graphite monochromator | 15925 reflections with I > 2σ(I) |
Detector resolution: 8.3 pixels mm-1 | Rint = 0.067 |
phi and ω scans | θmax = 27.5°, θmin = 1.4° |
Absorption correction: multi-scan (SADABS; Bruker, 2002) | h = −18→18 |
Tmin = 0.729, Tmax = 0.826 | k = −27→27 |
109364 measured reflections | l = −41→41 |
Refinement on F2 | Primary atom site location: structure-invariant direct methods |
Least-squares matrix: full | Hydrogen site location: inferred from neighbouring sites |
R[F2 > 2σ(F2)] = 0.048 | H-atom parameters constrained |
wR(F2) = 0.115 | w = 1/[σ2(Fo2) + (0.046P)2 + 19.2482P] where P = (Fo2 + 2Fc2)/3 |
S = 1.03 | (Δ/σ)max = 0.002 |
22107 reflections | Δρmax = 2.20 e Å−3 |
1480 parameters | Δρmin = −0.93 e Å−3 |
1509 restraints |
Experimental. The data collection nominally covered a full sphere of reciprocal space by a combination of 5 sets of ω scans each set at different φ and/or 2θ angles and each scan (5 s exposure) covering -0.3° degrees in ω. The crystal to detector distance was 5.035 cm. |
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. One bridging ligand O7-C1E-C20E/O7-C1F-C20F was disordered and modelled in two positions with occupancies 53:47% using rigid groups and restraints (SADI, SIMU). A metal coordinated THF is also disordered and modelled in two positions with occupancy 54:46% using restraints (SADI, SIMU). Three toluene solvent molecules are also present and they are all disordered over two positions and modelled with rigid groups and restraints (SIMU). C29 and C43 toluene molecules were modelled at 50% occupancy each and the C36 toluene was modelled at 68:32%. |
x | y | z | Uiso*/Ueq | Occ. (<1) | |
Yb1 | 0.18124 (2) | 0.71235 (2) | 0.43346 (2) | 0.02267 (6) | |
Yb2 | 0.29037 (2) | 0.79160 (2) | 0.36561 (2) | 0.03018 (6) | |
O1 | 0.1748 (2) | 0.70802 (14) | 0.36503 (9) | 0.0283 (7) | |
O2 | 0.3311 (2) | 0.73221 (14) | 0.42697 (9) | 0.0258 (7) | |
O3 | 0.2033 (2) | 0.61927 (14) | 0.45529 (10) | 0.0299 (7) | |
O4 | 0.3243 (2) | 0.87059 (15) | 0.32598 (10) | 0.0342 (8) | |
O5 | 0.0260 (2) | 0.68505 (14) | 0.42582 (11) | 0.0310 (7) | |
O7 | 0.1808 (2) | 0.81575 (14) | 0.41572 (11) | 0.0316 (7) | |
C1A | 0.2202 (3) | 0.5562 (2) | 0.45664 (14) | 0.0230 (9) | |
C1B | 0.4010 (3) | 0.6888 (2) | 0.43332 (13) | 0.0243 (9) | |
C1C | 0.3547 (3) | 0.9243 (2) | 0.31022 (15) | 0.0312 (11) | |
C1D | 0.1103 (3) | 0.7079 (2) | 0.33159 (14) | 0.0293 (10) | |
C2A | 0.2194 (3) | 0.5200 (2) | 0.42007 (14) | 0.0281 (10) | |
H2A | 0.205598 | 0.540354 | 0.393708 | 0.034* | |
C2B | 0.3910 (3) | 0.6280 (2) | 0.41576 (13) | 0.0262 (10) | |
H2B | 0.336306 | 0.617916 | 0.398207 | 0.031* | |
C2C | 0.3508 (4) | 0.9822 (2) | 0.33235 (16) | 0.0382 (12) | |
H2C | 0.325719 | 0.982494 | 0.358645 | 0.046* | |
C2D | 0.0412 (3) | 0.7548 (2) | 0.32733 (16) | 0.0337 (11) | |
H2D | 0.037827 | 0.785929 | 0.348779 | 0.040* | |
C3A | 0.2383 (3) | 0.4554 (2) | 0.42154 (15) | 0.0292 (10) | |
H3A | 0.240208 | 0.432251 | 0.396134 | 0.035* | |
C3B | 0.4589 (4) | 0.5823 (2) | 0.42333 (15) | 0.0344 (11) | |
H3B | 0.450623 | 0.540827 | 0.411314 | 0.041* | |
C3C | 0.3830 (4) | 1.0389 (3) | 0.31651 (19) | 0.0454 (14) | |
H3C | 0.379386 | 1.077455 | 0.332031 | 0.055* | |
C3D | −0.0224 (3) | 0.7567 (3) | 0.29232 (17) | 0.0404 (13) | |
H3D | −0.068675 | 0.789189 | 0.289812 | 0.048* | |
C4A | 0.2543 (3) | 0.4237 (2) | 0.45887 (16) | 0.0297 (10) | |
H4A | 0.265221 | 0.378799 | 0.459615 | 0.036* | |
C4B | 0.5393 (4) | 0.5966 (2) | 0.44839 (17) | 0.0398 (13) | |
H4B | 0.585761 | 0.564845 | 0.454417 | 0.048* | |
C4C | 0.4201 (4) | 1.0401 (3) | 0.27849 (18) | 0.0483 (15) | |
H4C | 0.441889 | 1.079102 | 0.267623 | 0.058* | |
C4D | −0.0191 (4) | 0.7118 (3) | 0.26110 (17) | 0.0447 (14) | |
H4D | −0.063324 | 0.712957 | 0.237212 | 0.054* | |
C5A | 0.2542 (3) | 0.4586 (2) | 0.49543 (15) | 0.0265 (10) | |
H5A | 0.264527 | 0.436775 | 0.521460 | 0.032* | |
C5B | 0.5512 (4) | 0.6578 (2) | 0.46455 (16) | 0.0365 (12) | |
H5B | 0.606686 | 0.667661 | 0.481640 | 0.044* | |
C5C | 0.4250 (4) | 0.9832 (3) | 0.25653 (17) | 0.0381 (12) | |
H5C | 0.451028 | 0.983682 | 0.230439 | 0.046* | |
C5D | 0.0488 (4) | 0.6650 (3) | 0.26468 (15) | 0.0390 (13) | |
H5D | 0.051138 | 0.634067 | 0.243042 | 0.047* | |
C6A | 0.2396 (3) | 0.5247 (2) | 0.49552 (13) | 0.0224 (9) | |
C6B | 0.4846 (3) | 0.7051 (2) | 0.45660 (14) | 0.0287 (10) | |
C6C | 0.3934 (3) | 0.9256 (2) | 0.27131 (15) | 0.0296 (10) | |
C6D | 0.1142 (3) | 0.6624 (2) | 0.29973 (15) | 0.0321 (11) | |
C7A | 0.2433 (3) | 0.5583 (2) | 0.53633 (14) | 0.0262 (10) | |
C7B | 0.5042 (3) | 0.7732 (2) | 0.46942 (15) | 0.0278 (10) | |
C7C | 0.4006 (3) | 0.8661 (2) | 0.24624 (14) | 0.0296 (10) | |
C7D | 0.1882 (4) | 0.6123 (2) | 0.30329 (14) | 0.0356 (12) | |
C8A | 0.1610 (3) | 0.5697 (2) | 0.55534 (14) | 0.0254 (10) | |
C8B | 0.5094 (3) | 0.7924 (2) | 0.51160 (15) | 0.0305 (10) | |
C8C | 0.4885 (3) | 0.8407 (3) | 0.23907 (15) | 0.0357 (12) | |
C8D | 0.1647 (4) | 0.5464 (2) | 0.30659 (15) | 0.0424 (14) | |
C9A | 0.0715 (3) | 0.5564 (2) | 0.53416 (15) | 0.0282 (10) | |
H9A | 0.067287 | 0.539731 | 0.506480 | 0.034* | |
C9B | 0.4927 (4) | 0.7499 (2) | 0.54503 (16) | 0.0360 (12) | |
H9B | 0.479051 | 0.706123 | 0.538845 | 0.043* | |
C9C | 0.5740 (4) | 0.8687 (3) | 0.25642 (18) | 0.0495 (15) | |
H9C | 0.573142 | 0.906888 | 0.272577 | 0.059* | |
C9D | 0.0715 (5) | 0.5249 (3) | 0.30686 (17) | 0.0554 (17) | |
H9D | 0.022788 | 0.555632 | 0.305154 | 0.067* | |
C10A | −0.0073 (3) | 0.5668 (2) | 0.55266 (17) | 0.0370 (12) | |
H10A | −0.065892 | 0.556658 | 0.538218 | 0.044* | |
C10B | 0.4959 (4) | 0.7701 (3) | 0.58521 (17) | 0.0411 (13) | |
H10B | 0.483752 | 0.740700 | 0.606650 | 0.049* | |
C10C | 0.6576 (4) | 0.8405 (4) | 0.2497 (2) | 0.070 (2) | |
H10C | 0.713898 | 0.859279 | 0.261676 | 0.084* | |
C10D | 0.0501 (6) | 0.4618 (3) | 0.3095 (2) | 0.074 (2) | |
H10D | −0.012709 | 0.448702 | 0.309959 | 0.089* | |
C11A | −0.0025 (4) | 0.5928 (3) | 0.59322 (18) | 0.0494 (15) | |
H11A | −0.058133 | 0.601387 | 0.605755 | 0.059* | |
C11B | 0.5171 (4) | 0.8350 (3) | 0.59548 (18) | 0.0467 (14) | |
H11B | 0.519444 | 0.848887 | 0.623759 | 0.056* | |
C11C | 0.6610 (5) | 0.7844 (4) | 0.2256 (3) | 0.073 (2) | |
H11C | 0.719516 | 0.766008 | 0.221414 | 0.088* | |
C11D | 0.1212 (7) | 0.4163 (3) | 0.3115 (2) | 0.079 (3) | |
H11D | 0.105318 | 0.372135 | 0.312091 | 0.095* | |
C12A | 0.0811 (4) | 0.6056 (3) | 0.61464 (17) | 0.0460 (14) | |
H12A | 0.082792 | 0.622412 | 0.642221 | 0.055* | |
C12B | 0.5342 (4) | 0.8771 (2) | 0.56509 (17) | 0.0408 (13) | |
H12B | 0.548462 | 0.920313 | 0.572544 | 0.049* | |
C12C | 0.5837 (5) | 0.7568 (3) | 0.2085 (2) | 0.0595 (18) | |
H12C | 0.587669 | 0.719133 | 0.192080 | 0.071* | |
C12D | 0.2109 (7) | 0.4327 (3) | 0.31252 (18) | 0.068 (2) | |
H12D | 0.257641 | 0.400583 | 0.315014 | 0.082* | |
C13A | 0.1657 (3) | 0.5946 (2) | 0.59707 (15) | 0.0307 (11) | |
C13B | 0.5313 (3) | 0.8585 (2) | 0.52198 (16) | 0.0324 (11) | |
C13C | 0.4941 (4) | 0.7833 (3) | 0.21442 (17) | 0.0423 (13) | |
C13D | 0.2362 (5) | 0.4995 (3) | 0.30984 (15) | 0.0501 (16) | |
C14A | 0.2524 (3) | 0.6079 (2) | 0.61869 (15) | 0.0325 (11) | |
H14A | 0.255160 | 0.624343 | 0.646389 | 0.039* | |
C14B | 0.5465 (3) | 0.9017 (2) | 0.49078 (17) | 0.0359 (12) | |
H14B | 0.560763 | 0.944955 | 0.498053 | 0.043* | |
C14C | 0.4140 (4) | 0.7535 (3) | 0.19803 (16) | 0.0416 (13) | |
H14C | 0.418457 | 0.715930 | 0.181564 | 0.050* | |
C14D | 0.3287 (5) | 0.5190 (3) | 0.31169 (16) | 0.0512 (17) | |
H14D | 0.376095 | 0.487354 | 0.314696 | 0.061* | |
C15A | 0.3344 (3) | 0.5974 (2) | 0.60049 (14) | 0.0257 (10) | |
C15B | 0.5416 (3) | 0.8834 (2) | 0.44901 (16) | 0.0322 (11) | |
C15C | 0.3274 (4) | 0.7765 (2) | 0.20477 (15) | 0.0365 (12) | |
C15D | 0.3543 (4) | 0.5837 (2) | 0.30929 (15) | 0.0392 (13) | |
C16A | 0.4228 (3) | 0.6083 (2) | 0.62278 (16) | 0.0334 (11) | |
H16A | 0.426471 | 0.622217 | 0.651074 | 0.040* | |
C16B | 0.5574 (3) | 0.9278 (2) | 0.41616 (18) | 0.0393 (13) | |
H16B | 0.571359 | 0.971221 | 0.423074 | 0.047* | |
C16C | 0.2436 (4) | 0.7443 (3) | 0.18899 (16) | 0.0401 (13) | |
H16C | 0.247275 | 0.707169 | 0.172046 | 0.048* | |
C16D | 0.4480 (4) | 0.6040 (3) | 0.31152 (16) | 0.0469 (15) | |
H16D | 0.495979 | 0.572902 | 0.315808 | 0.056* | |
C17A | 0.5018 (3) | 0.5989 (2) | 0.60417 (16) | 0.0348 (12) | |
H17A | 0.560283 | 0.605757 | 0.619681 | 0.042* | |
C17B | 0.5527 (4) | 0.9092 (3) | 0.37576 (18) | 0.0459 (14) | |
H17B | 0.561908 | 0.939713 | 0.354555 | 0.055* | |
C17C | 0.1596 (4) | 0.7658 (3) | 0.19780 (16) | 0.0405 (13) | |
H17C | 0.105025 | 0.743373 | 0.187391 | 0.049* | |
C17D | 0.4714 (4) | 0.6670 (3) | 0.30769 (16) | 0.0410 (13) | |
H17D | 0.534743 | 0.679667 | 0.310128 | 0.049* | |
C18A | 0.4984 (3) | 0.5790 (2) | 0.56188 (17) | 0.0338 (11) | |
H18A | 0.554386 | 0.574206 | 0.548931 | 0.041* | |
C18B | 0.5342 (4) | 0.8442 (3) | 0.36484 (17) | 0.0393 (12) | |
H18B | 0.532422 | 0.831041 | 0.336419 | 0.047* | |
C18C | 0.1522 (4) | 0.8218 (2) | 0.22252 (15) | 0.0351 (11) | |
H18C | 0.092713 | 0.836194 | 0.228779 | 0.042* | |
C18D | 0.3992 (3) | 0.7138 (2) | 0.29995 (16) | 0.0363 (12) | |
H18D | 0.414763 | 0.757451 | 0.295968 | 0.044* | |
C19A | 0.4149 (3) | 0.5667 (2) | 0.53958 (15) | 0.0285 (10) | |
H19A | 0.413542 | 0.553101 | 0.511270 | 0.034* | |
C19B | 0.5190 (3) | 0.8005 (2) | 0.39515 (16) | 0.0343 (11) | |
H19B | 0.506915 | 0.757103 | 0.387344 | 0.041* | |
C19C | 0.2288 (3) | 0.8547 (2) | 0.23718 (14) | 0.0299 (10) | |
H19C | 0.222355 | 0.892880 | 0.252793 | 0.036* | |
C19D | 0.3086 (3) | 0.6960 (2) | 0.29828 (14) | 0.0310 (11) | |
H19D | 0.261545 | 0.727653 | 0.293317 | 0.037* | |
C20A | 0.3301 (3) | 0.5740 (2) | 0.55821 (14) | 0.0245 (9) | |
C20B | 0.5207 (3) | 0.8180 (2) | 0.43816 (16) | 0.0295 (10) | |
C20C | 0.3199 (3) | 0.8331 (2) | 0.22963 (14) | 0.0278 (10) | |
C20D | 0.2824 (4) | 0.6306 (2) | 0.30381 (13) | 0.0314 (11) | |
C25 | −0.0049 (4) | 0.6217 (3) | 0.41039 (18) | 0.0445 (14) | |
H25A | 0.040546 | 0.588411 | 0.420601 | 0.053* | |
H25B | −0.011492 | 0.621062 | 0.379391 | 0.053* | |
C26 | −0.0948 (4) | 0.6101 (3) | 0.4266 (2) | 0.0602 (19) | |
H26A | −0.089571 | 0.574751 | 0.447253 | 0.072* | |
H26B | −0.141968 | 0.598151 | 0.403439 | 0.072* | |
C27 | −0.1224 (4) | 0.6716 (3) | 0.44698 (19) | 0.0463 (14) | |
H27A | −0.188132 | 0.682369 | 0.438375 | 0.056* | |
H27B | −0.113473 | 0.668121 | 0.477879 | 0.056* | |
C28 | −0.0584 (3) | 0.7209 (2) | 0.43141 (17) | 0.0355 (11) | |
H28A | −0.085145 | 0.739666 | 0.404579 | 0.043* | |
H28B | −0.045856 | 0.755756 | 0.452139 | 0.043* | |
C43A | 0.2303 (7) | 0.2770 (4) | 0.3876 (4) | 0.078 (3) | 0.5 |
H43A | 0.285362 | 0.280496 | 0.372109 | 0.117* | 0.5 |
H43B | 0.249717 | 0.274269 | 0.417637 | 0.117* | 0.5 |
H43C | 0.191037 | 0.314970 | 0.382003 | 0.117* | 0.5 |
C44A | 0.1795 (5) | 0.2212 (3) | 0.3745 (3) | 0.0789 (16) | 0.5 |
C45A | 0.0830 (5) | 0.2218 (4) | 0.3733 (4) | 0.0774 (18) | 0.5 |
H45A | 0.052084 | 0.258220 | 0.383074 | 0.093* | 0.5 |
C46A | 0.0321 (4) | 0.1689 (5) | 0.3579 (4) | 0.0772 (18) | 0.5 |
H46A | −0.033788 | 0.169338 | 0.357046 | 0.093* | 0.5 |
C47A | 0.0773 (6) | 0.1155 (4) | 0.3437 (3) | 0.0790 (19) | 0.5 |
H47A | 0.042443 | 0.079426 | 0.333198 | 0.095* | 0.5 |
C48A | 0.1736 (6) | 0.1150 (4) | 0.3450 (4) | 0.0818 (19) | 0.5 |
H48A | 0.204598 | 0.078473 | 0.335265 | 0.098* | 0.5 |
C49A | 0.2247 (4) | 0.1678 (4) | 0.3604 (3) | 0.0811 (19) | 0.5 |
H49A | 0.290571 | 0.167309 | 0.361316 | 0.097* | 0.5 |
O6A | 0.1671 (12) | 0.7551 (5) | 0.4989 (2) | 0.0326 (14) | 0.542 (9) |
C1E | 0.1884 (4) | 0.8757 (2) | 0.4304 (2) | 0.0298 (13) | 0.533 (3) |
C2E | 0.2801 (3) | 0.8939 (2) | 0.4410 (2) | 0.0311 (13) | 0.533 (3) |
H2E | 0.329155 | 0.864980 | 0.436773 | 0.037* | 0.533 (3) |
C3E | 0.3001 (3) | 0.9543 (2) | 0.4578 (2) | 0.0342 (13) | 0.533 (3) |
H3E | 0.362761 | 0.966742 | 0.465054 | 0.041* | 0.533 (3) |
C4E | 0.2283 (4) | 0.9966 (2) | 0.4640 (2) | 0.0366 (13) | 0.533 (3) |
H4E | 0.241967 | 1.037899 | 0.475464 | 0.044* | 0.533 (3) |
C5E | 0.1366 (3) | 0.9784 (3) | 0.4534 (2) | 0.0352 (13) | 0.533 (3) |
H5E | 0.087566 | 1.007294 | 0.457594 | 0.042* | 0.533 (3) |
C6E | 0.1166 (3) | 0.9180 (3) | 0.4366 (2) | 0.0305 (11) | 0.533 (3) |
C7E | 0.0168 (2) | 0.8982 (2) | 0.42281 (11) | 0.0331 (11) | 0.533 (3) |
C16E | −0.1504 (3) | 0.9075 (3) | 0.32721 (11) | 0.0493 (14) | 0.533 (3) |
H16E | −0.214191 | 0.899831 | 0.318711 | 0.059* | 0.533 (3) |
C8E | −0.0443 (2) | 0.88209 (19) | 0.45364 (10) | 0.0342 (11) | 0.533 (3) |
C9E | −0.0098 (3) | 0.8764 (3) | 0.49673 (10) | 0.0377 (13) | 0.533 (3) |
H9E | 0.053294 | 0.886347 | 0.505337 | 0.045* | 0.533 (3) |
C10E | −0.0681 (3) | 0.8563 (3) | 0.52590 (10) | 0.0424 (14) | 0.533 (3) |
H10E | −0.044746 | 0.852080 | 0.554468 | 0.051* | 0.533 (3) |
C11E | −0.1621 (3) | 0.8421 (3) | 0.51339 (12) | 0.0440 (15) | 0.533 (3) |
H11E | −0.200939 | 0.827100 | 0.533557 | 0.053* | 0.533 (3) |
C12E | −0.1984 (3) | 0.8497 (3) | 0.47227 (13) | 0.0414 (13) | 0.533 (3) |
H12E | −0.262315 | 0.841122 | 0.464524 | 0.050* | 0.533 (3) |
C13E | −0.1401 (2) | 0.87029 (18) | 0.44143 (11) | 0.0384 (11) | 0.533 (3) |
C14E | −0.1751 (2) | 0.8800 (2) | 0.39995 (11) | 0.0414 (13) | 0.533 (3) |
H14E | −0.239550 | 0.874325 | 0.392097 | 0.050* | 0.533 (3) |
C15E | −0.1172 (2) | 0.89793 (19) | 0.36992 (10) | 0.0422 (12) | 0.533 (3) |
C17E | −0.0947 (4) | 0.9269 (3) | 0.29839 (10) | 0.0534 (14) | 0.533 (3) |
H17E | −0.120476 | 0.935575 | 0.270603 | 0.064* | 0.533 (3) |
C18E | 0.0017 (4) | 0.9347 (3) | 0.30903 (11) | 0.0522 (14) | 0.533 (3) |
H18E | 0.040879 | 0.945904 | 0.288056 | 0.063* | 0.533 (3) |
C19E | 0.0380 (3) | 0.9261 (3) | 0.34878 (12) | 0.0460 (12) | 0.533 (3) |
H19E | 0.102745 | 0.932243 | 0.355857 | 0.055* | 0.533 (3) |
C20E | −0.0206 (2) | 0.90768 (18) | 0.38094 (10) | 0.0386 (12) | 0.533 (3) |
C21A | 0.1062 (17) | 0.7393 (8) | 0.5294 (8) | 0.0336 (16) | 0.542 (9) |
H21A | 0.099630 | 0.692188 | 0.531742 | 0.040* | 0.542 (9) |
H21B | 0.043947 | 0.758209 | 0.522054 | 0.040* | 0.542 (9) |
C22A | 0.1519 (10) | 0.7681 (8) | 0.5713 (6) | 0.0350 (16) | 0.542 (9) |
H22A | 0.118518 | 0.807237 | 0.578808 | 0.042* | 0.542 (9) |
H22B | 0.150809 | 0.736586 | 0.594297 | 0.042* | 0.542 (9) |
C23A | 0.2433 (11) | 0.7827 (5) | 0.5640 (5) | 0.0378 (15) | 0.542 (9) |
H23A | 0.263164 | 0.823478 | 0.577952 | 0.045* | 0.542 (9) |
H23B | 0.285993 | 0.748202 | 0.574952 | 0.045* | 0.542 (9) |
C24A | 0.2441 (7) | 0.7882 (5) | 0.5211 (3) | 0.0358 (14) | 0.542 (9) |
H24A | 0.302918 | 0.770339 | 0.512721 | 0.043* | 0.542 (9) |
H24B | 0.241458 | 0.834147 | 0.513299 | 0.043* | 0.542 (9) |
C29A | 0.8741 (6) | 0.0546 (5) | 0.4107 (2) | 0.054 (2) | 0.5 |
H29A | 0.919939 | 0.022367 | 0.404242 | 0.081* | 0.5 |
H29B | 0.844884 | 0.041392 | 0.435652 | 0.081* | 0.5 |
H29C | 0.905095 | 0.096032 | 0.415949 | 0.081* | 0.5 |
C30A | 0.8051 (4) | 0.0605 (3) | 0.37630 (16) | 0.0535 (13) | 0.5 |
C31A | 0.8314 (4) | 0.0589 (4) | 0.33575 (19) | 0.0544 (15) | 0.5 |
H31A | 0.895366 | 0.056982 | 0.331266 | 0.065* | 0.5 |
C32A | 0.7641 (5) | 0.0601 (4) | 0.30176 (15) | 0.0512 (16) | 0.5 |
H32A | 0.781986 | 0.058994 | 0.274045 | 0.061* | 0.5 |
C33A | 0.6705 (5) | 0.0630 (4) | 0.30839 (19) | 0.0501 (17) | 0.5 |
H33A | 0.624526 | 0.063737 | 0.285185 | 0.060* | 0.5 |
C34A | 0.6443 (4) | 0.0647 (4) | 0.3489 (2) | 0.0507 (15) | 0.5 |
H34A | 0.580405 | 0.066672 | 0.353414 | 0.061* | 0.5 |
C35A | 0.7117 (5) | 0.0635 (4) | 0.38287 (17) | 0.0517 (15) | 0.5 |
H35A | 0.693817 | 0.064664 | 0.410585 | 0.062* | 0.5 |
O6B | 0.1726 (15) | 0.7423 (7) | 0.5023 (2) | 0.0334 (15) | 0.458 (9) |
C5F | 0.1475 (4) | 0.9662 (3) | 0.4715 (2) | 0.0332 (14) | 0.467 (3) |
H5F | 0.098516 | 0.995934 | 0.473759 | 0.040* | 0.467 (3) |
C6F | 0.1324 (4) | 0.9115 (3) | 0.4470 (2) | 0.0316 (12) | 0.467 (3) |
C1F | 0.2041 (5) | 0.8679 (3) | 0.4437 (2) | 0.0313 (13) | 0.467 (3) |
C2F | 0.2909 (4) | 0.8790 (3) | 0.4650 (2) | 0.0311 (13) | 0.467 (3) |
H2F | 0.339930 | 0.849229 | 0.462773 | 0.037* | 0.467 (3) |
C3F | 0.3061 (3) | 0.9336 (3) | 0.4895 (2) | 0.0348 (13) | 0.467 (3) |
H3F | 0.365440 | 0.941209 | 0.504077 | 0.042* | 0.467 (3) |
C4F | 0.2344 (4) | 0.9772 (3) | 0.4928 (2) | 0.0358 (13) | 0.467 (3) |
H4F | 0.244734 | 1.014562 | 0.509570 | 0.043* | 0.467 (3) |
C7F | 0.0397 (2) | 0.9035 (3) | 0.42304 (12) | 0.0324 (11) | 0.467 (3) |
C8F | 0.0316 (3) | 0.9164 (2) | 0.37963 (12) | 0.0395 (13) | 0.467 (3) |
C9F | 0.1117 (3) | 0.9351 (3) | 0.35855 (15) | 0.0434 (16) | 0.467 (3) |
H9F | 0.170698 | 0.939064 | 0.374112 | 0.052* | 0.467 (3) |
C10F | 0.1032 (4) | 0.9469 (3) | 0.31718 (15) | 0.0489 (16) | 0.467 (3) |
H10F | 0.156308 | 0.958297 | 0.303532 | 0.059* | 0.467 (3) |
C11F | 0.0154 (4) | 0.9425 (3) | 0.29398 (12) | 0.0526 (15) | 0.467 (3) |
H11F | 0.009159 | 0.953431 | 0.265106 | 0.063* | 0.467 (3) |
C12F | −0.0596 (4) | 0.9229 (3) | 0.31230 (11) | 0.0511 (14) | 0.467 (3) |
H12F | −0.116776 | 0.917494 | 0.295496 | 0.061* | 0.467 (3) |
C13F | −0.0561 (3) | 0.9100 (2) | 0.35594 (11) | 0.0462 (12) | 0.467 (3) |
C14F | −0.1340 (2) | 0.8919 (3) | 0.37520 (12) | 0.0431 (13) | 0.467 (3) |
H14F | −0.192309 | 0.888457 | 0.358977 | 0.052* | 0.467 (3) |
C15F | −0.1281 (2) | 0.8788 (2) | 0.41792 (13) | 0.0392 (12) | 0.467 (3) |
C16F | −0.2071 (3) | 0.8580 (3) | 0.43773 (16) | 0.0411 (13) | 0.467 (3) |
H16F | −0.264952 | 0.851699 | 0.421586 | 0.049* | 0.467 (3) |
C17F | −0.1994 (3) | 0.8471 (3) | 0.48043 (16) | 0.0423 (13) | 0.467 (3) |
H17F | −0.251809 | 0.831962 | 0.493255 | 0.051* | 0.467 (3) |
C18F | −0.1149 (4) | 0.8580 (3) | 0.50526 (13) | 0.0412 (13) | 0.467 (3) |
H18F | −0.111426 | 0.851555 | 0.534677 | 0.049* | 0.467 (3) |
C19F | −0.0371 (3) | 0.8781 (3) | 0.48692 (11) | 0.0376 (12) | 0.467 (3) |
H19F | 0.019443 | 0.885828 | 0.503775 | 0.045* | 0.467 (3) |
C20F | −0.0418 (3) | 0.8872 (2) | 0.44263 (11) | 0.0352 (11) | 0.467 (3) |
C21B | 0.101 (2) | 0.7283 (10) | 0.5294 (9) | 0.0332 (16) | 0.458 (9) |
H21C | 0.093124 | 0.681387 | 0.532219 | 0.040* | 0.458 (9) |
H21D | 0.041345 | 0.747483 | 0.518307 | 0.040* | 0.458 (9) |
C22B | 0.1356 (12) | 0.7576 (10) | 0.5704 (7) | 0.0347 (16) | 0.458 (9) |
H22C | 0.122000 | 0.729794 | 0.594090 | 0.042* | 0.458 (9) |
H22D | 0.107506 | 0.800380 | 0.573892 | 0.042* | 0.458 (9) |
C23B | 0.2472 (13) | 0.7632 (7) | 0.5672 (5) | 0.0372 (15) | 0.458 (9) |
H23C | 0.267779 | 0.808327 | 0.570983 | 0.045* | 0.458 (9) |
H23D | 0.281624 | 0.736683 | 0.589046 | 0.045* | 0.458 (9) |
C24B | 0.2628 (8) | 0.7424 (6) | 0.5292 (3) | 0.0356 (14) | 0.458 (9) |
H24C | 0.289072 | 0.698481 | 0.531100 | 0.043* | 0.458 (9) |
H24D | 0.307895 | 0.770831 | 0.516952 | 0.043* | 0.458 (9) |
C29B | 0.7034 (7) | 0.0753 (5) | 0.30219 (18) | 0.055 (2) | 0.5 |
H29D | 0.721217 | 0.117645 | 0.292322 | 0.083* | 0.5 |
H29E | 0.635575 | 0.072810 | 0.301380 | 0.083* | 0.5 |
H29F | 0.725805 | 0.042055 | 0.284074 | 0.083* | 0.5 |
C30B | 0.7433 (5) | 0.0659 (3) | 0.34387 (16) | 0.0528 (13) | 0.5 |
C31B | 0.8396 (4) | 0.0661 (4) | 0.3523 (2) | 0.0555 (15) | 0.5 |
H31B | 0.877985 | 0.069540 | 0.329945 | 0.067* | 0.5 |
C32B | 0.8794 (4) | 0.0614 (5) | 0.3933 (2) | 0.0601 (17) | 0.5 |
H32B | 0.945100 | 0.061571 | 0.399046 | 0.072* | 0.5 |
C33B | 0.8233 (6) | 0.0564 (4) | 0.42596 (18) | 0.0609 (18) | 0.5 |
H33B | 0.850582 | 0.053133 | 0.454015 | 0.073* | 0.5 |
C34B | 0.7271 (6) | 0.0561 (4) | 0.41757 (18) | 0.0587 (16) | 0.5 |
H34B | 0.688766 | 0.052728 | 0.439896 | 0.070* | 0.5 |
C35B | 0.6872 (4) | 0.0607 (4) | 0.3765 (2) | 0.0538 (15) | 0.5 |
H35B | 0.621541 | 0.060394 | 0.370797 | 0.065* | 0.5 |
C43B | 0.1304 (7) | 0.0836 (4) | 0.3527 (4) | 0.081 (3) | 0.5 |
H43D | 0.071015 | 0.068067 | 0.361083 | 0.121* | 0.5 |
H43E | 0.181073 | 0.057203 | 0.365898 | 0.121* | 0.5 |
H43F | 0.129904 | 0.080796 | 0.322143 | 0.121* | 0.5 |
C44B | 0.1438 (5) | 0.1484 (3) | 0.3654 (3) | 0.0777 (16) | 0.5 |
C45B | 0.0688 (4) | 0.1905 (4) | 0.3615 (3) | 0.0757 (18) | 0.5 |
H45B | 0.010378 | 0.176639 | 0.348477 | 0.091* | 0.5 |
C46B | 0.0794 (6) | 0.2528 (4) | 0.3765 (4) | 0.0775 (18) | 0.5 |
H46B | 0.028184 | 0.281606 | 0.373789 | 0.093* | 0.5 |
C47B | 0.1648 (7) | 0.2731 (3) | 0.3955 (3) | 0.0792 (19) | 0.5 |
H47B | 0.172037 | 0.315759 | 0.405742 | 0.095* | 0.5 |
C48B | 0.2397 (5) | 0.2311 (4) | 0.3994 (3) | 0.0825 (19) | 0.5 |
H48B | 0.298118 | 0.244925 | 0.412463 | 0.099* | 0.5 |
C49B | 0.2292 (4) | 0.1687 (4) | 0.3843 (3) | 0.0801 (19) | 0.5 |
H49B | 0.280413 | 0.140009 | 0.386974 | 0.096* | 0.5 |
C36B | 0.7321 (12) | 0.7340 (7) | 0.3380 (6) | 0.061 (4) | 0.318 (9) |
H36A | 0.690295 | 0.750905 | 0.314685 | 0.091* | 0.318 (9) |
H36B | 0.793497 | 0.753729 | 0.337608 | 0.091* | 0.318 (9) |
H36C | 0.706938 | 0.743938 | 0.364511 | 0.091* | 0.318 (9) |
C37B | 0.7400 (9) | 0.6665 (7) | 0.3337 (5) | 0.0595 (19) | 0.318 (9) |
C38B | 0.6967 (11) | 0.6265 (7) | 0.3606 (5) | 0.0584 (19) | 0.318 (9) |
H38B | 0.665933 | 0.644285 | 0.382790 | 0.070* | 0.318 (9) |
C39B | 0.6986 (13) | 0.5604 (7) | 0.3550 (6) | 0.058 (2) | 0.318 (9) |
H39B | 0.669008 | 0.533062 | 0.373378 | 0.070* | 0.318 (9) |
C40B | 0.7437 (13) | 0.5343 (7) | 0.3226 (6) | 0.060 (2) | 0.318 (9) |
H40B | 0.744901 | 0.489150 | 0.318789 | 0.072* | 0.318 (9) |
C41B | 0.7870 (13) | 0.5743 (8) | 0.2958 (6) | 0.061 (2) | 0.318 (9) |
H41B | 0.817800 | 0.556526 | 0.273635 | 0.073* | 0.318 (9) |
C42B | 0.7852 (11) | 0.6404 (8) | 0.3014 (5) | 0.061 (2) | 0.318 (9) |
H42B | 0.815030 | 0.667762 | 0.283170 | 0.073* | 0.318 (9) |
C36A | 0.8116 (6) | 0.5568 (4) | 0.2732 (2) | 0.071 (3) | 0.682 (9) |
H36D | 0.764253 | 0.549913 | 0.249635 | 0.106* | 0.682 (9) |
H36E | 0.839255 | 0.515504 | 0.282132 | 0.106* | 0.682 (9) |
H36F | 0.860064 | 0.585252 | 0.264408 | 0.106* | 0.682 (9) |
C37A | 0.7700 (4) | 0.5852 (3) | 0.3070 (2) | 0.0593 (18) | 0.682 (9) |
C38A | 0.7716 (5) | 0.6516 (3) | 0.3114 (2) | 0.0612 (18) | 0.682 (9) |
H38A | 0.804067 | 0.677262 | 0.293139 | 0.073* | 0.682 (9) |
C39A | 0.7257 (6) | 0.6804 (3) | 0.3426 (3) | 0.0604 (18) | 0.682 (9) |
H39A | 0.726664 | 0.725716 | 0.345658 | 0.072* | 0.682 (9) |
C40A | 0.6782 (5) | 0.6428 (4) | 0.3694 (2) | 0.0575 (18) | 0.682 (9) |
H40A | 0.646722 | 0.662541 | 0.390686 | 0.069* | 0.682 (9) |
C41A | 0.6767 (6) | 0.5765 (4) | 0.3649 (2) | 0.0573 (19) | 0.682 (9) |
H41A | 0.644326 | 0.550861 | 0.383226 | 0.069* | 0.682 (9) |
C42A | 0.7228 (5) | 0.5477 (3) | 0.3337 (2) | 0.0580 (18) | 0.682 (9) |
H42A | 0.721925 | 0.502409 | 0.330759 | 0.070* | 0.682 (9) |
U11 | U22 | U33 | U12 | U13 | U23 | |
Yb1 | 0.02982 (11) | 0.01947 (9) | 0.01901 (10) | −0.00670 (8) | 0.00379 (7) | −0.00032 (8) |
Yb2 | 0.03577 (12) | 0.02727 (11) | 0.02896 (12) | 0.00081 (9) | 0.01064 (9) | 0.00974 (9) |
O1 | 0.0348 (18) | 0.0316 (17) | 0.0184 (16) | −0.0016 (14) | 0.0016 (13) | −0.0015 (13) |
O2 | 0.0285 (17) | 0.0243 (15) | 0.0246 (17) | −0.0046 (13) | 0.0026 (13) | 0.0006 (13) |
O3 | 0.0414 (19) | 0.0247 (16) | 0.0229 (17) | −0.0058 (14) | −0.0004 (14) | 0.0069 (13) |
O4 | 0.047 (2) | 0.0305 (17) | 0.0273 (18) | −0.0004 (15) | 0.0120 (15) | 0.0082 (14) |
O5 | 0.0337 (18) | 0.0226 (15) | 0.037 (2) | −0.0062 (14) | 0.0064 (15) | −0.0049 (14) |
O7 | 0.0348 (18) | 0.0205 (15) | 0.041 (2) | −0.0051 (13) | 0.0140 (15) | −0.0025 (14) |
C1A | 0.021 (2) | 0.022 (2) | 0.026 (2) | −0.0062 (17) | 0.0017 (18) | 0.0034 (18) |
C1B | 0.032 (2) | 0.025 (2) | 0.016 (2) | −0.0029 (18) | 0.0038 (18) | 0.0027 (17) |
C1C | 0.036 (3) | 0.028 (2) | 0.029 (3) | −0.003 (2) | −0.002 (2) | 0.007 (2) |
C1D | 0.031 (2) | 0.036 (3) | 0.022 (2) | −0.010 (2) | 0.0046 (19) | 0.006 (2) |
C2A | 0.030 (2) | 0.032 (2) | 0.021 (2) | −0.009 (2) | −0.0021 (19) | −0.0002 (19) |
C2B | 0.031 (2) | 0.029 (2) | 0.017 (2) | −0.0043 (19) | −0.0030 (18) | 0.0011 (18) |
C2C | 0.045 (3) | 0.042 (3) | 0.027 (3) | 0.000 (2) | 0.001 (2) | 0.002 (2) |
C2D | 0.030 (3) | 0.040 (3) | 0.032 (3) | −0.005 (2) | 0.004 (2) | 0.006 (2) |
C3A | 0.020 (2) | 0.034 (2) | 0.034 (3) | −0.0101 (19) | 0.0027 (19) | −0.008 (2) |
C3B | 0.042 (3) | 0.029 (2) | 0.031 (3) | 0.000 (2) | −0.003 (2) | −0.007 (2) |
C3C | 0.053 (4) | 0.034 (3) | 0.048 (4) | −0.009 (3) | −0.005 (3) | −0.001 (3) |
C3D | 0.027 (3) | 0.054 (3) | 0.041 (3) | −0.002 (2) | 0.004 (2) | 0.010 (3) |
C4A | 0.019 (2) | 0.025 (2) | 0.045 (3) | 0.0007 (18) | 0.003 (2) | 0.001 (2) |
C4B | 0.036 (3) | 0.032 (3) | 0.049 (3) | 0.005 (2) | −0.011 (2) | −0.005 (2) |
C4C | 0.059 (4) | 0.039 (3) | 0.046 (4) | −0.024 (3) | 0.003 (3) | 0.011 (3) |
C4D | 0.029 (3) | 0.073 (4) | 0.031 (3) | −0.010 (3) | −0.002 (2) | 0.010 (3) |
C5A | 0.019 (2) | 0.030 (2) | 0.030 (3) | −0.0036 (18) | −0.0012 (18) | 0.013 (2) |
C5B | 0.034 (3) | 0.031 (3) | 0.041 (3) | −0.003 (2) | −0.011 (2) | −0.001 (2) |
C5C | 0.038 (3) | 0.045 (3) | 0.032 (3) | −0.013 (2) | 0.004 (2) | 0.009 (2) |
C5D | 0.042 (3) | 0.054 (3) | 0.021 (3) | −0.022 (3) | 0.006 (2) | −0.006 (2) |
C6A | 0.017 (2) | 0.033 (2) | 0.016 (2) | −0.0041 (17) | −0.0027 (16) | 0.0038 (18) |
C6B | 0.035 (3) | 0.027 (2) | 0.023 (2) | −0.006 (2) | −0.0019 (19) | −0.0021 (19) |
C6C | 0.030 (3) | 0.033 (2) | 0.026 (2) | −0.008 (2) | 0.001 (2) | 0.009 (2) |
C6D | 0.039 (3) | 0.035 (3) | 0.023 (2) | −0.010 (2) | 0.006 (2) | 0.002 (2) |
C7A | 0.026 (2) | 0.028 (2) | 0.024 (2) | −0.0073 (18) | −0.0021 (19) | 0.0026 (19) |
C7B | 0.026 (2) | 0.026 (2) | 0.030 (3) | −0.0026 (18) | −0.0028 (19) | 0.0011 (19) |
C7C | 0.033 (3) | 0.037 (3) | 0.019 (2) | −0.004 (2) | 0.0006 (19) | 0.010 (2) |
C7D | 0.059 (3) | 0.031 (3) | 0.017 (2) | −0.004 (2) | 0.006 (2) | −0.0015 (19) |
C8A | 0.030 (2) | 0.025 (2) | 0.021 (2) | −0.0072 (18) | −0.0007 (18) | 0.0013 (18) |
C8B | 0.028 (2) | 0.030 (2) | 0.032 (3) | −0.005 (2) | −0.004 (2) | −0.002 (2) |
C8C | 0.031 (3) | 0.052 (3) | 0.025 (3) | −0.004 (2) | 0.004 (2) | 0.018 (2) |
C8D | 0.076 (4) | 0.033 (3) | 0.018 (2) | −0.004 (3) | 0.003 (2) | −0.001 (2) |
C9A | 0.033 (3) | 0.025 (2) | 0.027 (2) | −0.0094 (19) | 0.000 (2) | −0.0039 (19) |
C9B | 0.041 (3) | 0.030 (3) | 0.035 (3) | −0.011 (2) | −0.005 (2) | −0.001 (2) |
C9C | 0.035 (3) | 0.068 (4) | 0.046 (3) | −0.004 (3) | 0.005 (3) | 0.024 (3) |
C9D | 0.093 (5) | 0.049 (3) | 0.024 (3) | −0.025 (3) | 0.000 (3) | −0.002 (2) |
C10A | 0.024 (2) | 0.044 (3) | 0.043 (3) | −0.009 (2) | 0.003 (2) | −0.016 (2) |
C10B | 0.053 (3) | 0.038 (3) | 0.031 (3) | −0.017 (2) | −0.003 (2) | −0.002 (2) |
C10C | 0.033 (3) | 0.102 (6) | 0.076 (5) | −0.005 (4) | 0.010 (3) | 0.028 (5) |
C10D | 0.130 (7) | 0.053 (4) | 0.039 (4) | −0.040 (5) | −0.001 (4) | 0.001 (3) |
C11A | 0.032 (3) | 0.071 (4) | 0.047 (4) | −0.012 (3) | 0.016 (3) | −0.025 (3) |
C11B | 0.060 (4) | 0.044 (3) | 0.034 (3) | −0.015 (3) | −0.001 (3) | −0.011 (3) |
C11C | 0.047 (4) | 0.085 (5) | 0.093 (6) | 0.019 (4) | 0.028 (4) | 0.026 (5) |
C11D | 0.159 (9) | 0.042 (4) | 0.032 (4) | −0.034 (5) | −0.010 (4) | −0.008 (3) |
C12A | 0.038 (3) | 0.067 (4) | 0.034 (3) | −0.017 (3) | 0.010 (2) | −0.022 (3) |
C12B | 0.048 (3) | 0.030 (3) | 0.043 (3) | −0.012 (2) | 0.000 (3) | −0.011 (2) |
C12C | 0.055 (4) | 0.062 (4) | 0.066 (5) | 0.015 (3) | 0.029 (3) | 0.015 (3) |
C12D | 0.144 (8) | 0.033 (3) | 0.025 (3) | −0.001 (4) | −0.002 (4) | −0.002 (2) |
C13A | 0.030 (3) | 0.034 (3) | 0.027 (3) | −0.011 (2) | 0.002 (2) | −0.008 (2) |
C13B | 0.031 (3) | 0.026 (2) | 0.038 (3) | −0.008 (2) | −0.004 (2) | −0.005 (2) |
C13C | 0.044 (3) | 0.054 (3) | 0.031 (3) | 0.008 (3) | 0.015 (2) | 0.019 (3) |
C13D | 0.100 (5) | 0.035 (3) | 0.014 (2) | 0.001 (3) | −0.001 (3) | −0.006 (2) |
C14A | 0.034 (3) | 0.037 (3) | 0.026 (3) | −0.008 (2) | −0.003 (2) | −0.006 (2) |
C14B | 0.030 (3) | 0.028 (2) | 0.049 (3) | −0.008 (2) | −0.004 (2) | −0.003 (2) |
C14C | 0.056 (4) | 0.045 (3) | 0.026 (3) | 0.006 (3) | 0.016 (2) | 0.006 (2) |
C14D | 0.100 (5) | 0.036 (3) | 0.018 (3) | 0.027 (3) | 0.002 (3) | −0.005 (2) |
C15A | 0.029 (2) | 0.022 (2) | 0.025 (2) | −0.0066 (18) | −0.0052 (19) | 0.0023 (18) |
C15B | 0.027 (2) | 0.030 (2) | 0.039 (3) | −0.0036 (19) | −0.001 (2) | 0.003 (2) |
C15C | 0.053 (3) | 0.036 (3) | 0.021 (2) | 0.000 (2) | 0.006 (2) | 0.010 (2) |
C15D | 0.061 (4) | 0.039 (3) | 0.016 (2) | 0.018 (3) | 0.000 (2) | −0.003 (2) |
C16A | 0.036 (3) | 0.029 (2) | 0.032 (3) | −0.008 (2) | −0.011 (2) | −0.002 (2) |
C16B | 0.036 (3) | 0.030 (3) | 0.051 (3) | −0.009 (2) | −0.001 (2) | 0.007 (2) |
C16C | 0.062 (4) | 0.036 (3) | 0.022 (3) | −0.012 (3) | 0.003 (2) | 0.002 (2) |
C16D | 0.060 (4) | 0.060 (4) | 0.021 (3) | 0.033 (3) | 0.002 (2) | −0.001 (2) |
C17A | 0.028 (3) | 0.030 (2) | 0.042 (3) | −0.007 (2) | −0.016 (2) | 0.002 (2) |
C17B | 0.048 (3) | 0.047 (3) | 0.041 (3) | −0.014 (3) | −0.004 (3) | 0.017 (3) |
C17C | 0.046 (3) | 0.044 (3) | 0.029 (3) | −0.019 (3) | −0.009 (2) | 0.010 (2) |
C17D | 0.036 (3) | 0.061 (4) | 0.027 (3) | 0.020 (3) | 0.005 (2) | 0.002 (2) |
C18A | 0.027 (2) | 0.028 (2) | 0.045 (3) | −0.0039 (19) | −0.004 (2) | 0.002 (2) |
C18B | 0.041 (3) | 0.044 (3) | 0.032 (3) | −0.010 (2) | −0.002 (2) | 0.006 (2) |
C18C | 0.034 (3) | 0.042 (3) | 0.028 (3) | −0.007 (2) | −0.002 (2) | 0.012 (2) |
C18D | 0.037 (3) | 0.040 (3) | 0.034 (3) | 0.007 (2) | 0.013 (2) | 0.010 (2) |
C19A | 0.026 (2) | 0.028 (2) | 0.030 (3) | −0.0038 (19) | −0.0020 (19) | 0.000 (2) |
C19B | 0.031 (3) | 0.034 (3) | 0.036 (3) | −0.006 (2) | −0.003 (2) | 0.002 (2) |
C19C | 0.035 (3) | 0.032 (2) | 0.022 (2) | −0.002 (2) | 0.000 (2) | 0.0094 (19) |
C19D | 0.037 (3) | 0.037 (3) | 0.020 (2) | 0.009 (2) | 0.005 (2) | 0.0039 (19) |
C20A | 0.025 (2) | 0.021 (2) | 0.027 (2) | −0.0032 (17) | −0.0031 (18) | 0.0075 (18) |
C20B | 0.025 (2) | 0.028 (2) | 0.035 (3) | −0.0022 (19) | −0.001 (2) | 0.000 (2) |
C20C | 0.034 (3) | 0.032 (2) | 0.017 (2) | −0.001 (2) | 0.0015 (19) | 0.0083 (18) |
C20D | 0.051 (3) | 0.030 (2) | 0.013 (2) | 0.008 (2) | 0.002 (2) | 0.0004 (18) |
C25 | 0.052 (3) | 0.038 (3) | 0.044 (3) | −0.020 (3) | 0.009 (3) | −0.017 (2) |
C26 | 0.032 (3) | 0.029 (3) | 0.119 (6) | −0.002 (2) | 0.005 (3) | 0.001 (3) |
C27 | 0.039 (3) | 0.049 (3) | 0.053 (4) | −0.003 (3) | 0.011 (3) | 0.007 (3) |
C28 | 0.033 (3) | 0.030 (3) | 0.042 (3) | 0.000 (2) | −0.002 (2) | 0.000 (2) |
C43A | 0.067 (5) | 0.070 (6) | 0.099 (6) | 0.003 (5) | 0.010 (5) | −0.003 (5) |
C44A | 0.062 (3) | 0.075 (4) | 0.101 (4) | 0.005 (3) | 0.010 (3) | −0.012 (3) |
C45A | 0.060 (3) | 0.075 (4) | 0.098 (4) | 0.006 (3) | 0.008 (3) | −0.008 (4) |
C46A | 0.062 (3) | 0.074 (4) | 0.096 (4) | 0.007 (3) | 0.012 (3) | −0.007 (4) |
C47A | 0.061 (4) | 0.076 (4) | 0.101 (4) | 0.005 (3) | 0.011 (3) | −0.009 (4) |
C48A | 0.062 (4) | 0.079 (4) | 0.106 (4) | 0.005 (3) | 0.012 (4) | −0.011 (4) |
C49A | 0.062 (3) | 0.077 (4) | 0.104 (4) | 0.006 (3) | 0.011 (3) | −0.013 (4) |
O6A | 0.041 (2) | 0.030 (4) | 0.028 (2) | −0.013 (3) | 0.007 (2) | −0.003 (2) |
C1E | 0.033 (2) | 0.021 (2) | 0.034 (3) | −0.002 (2) | −0.001 (2) | 0.004 (2) |
C2E | 0.034 (2) | 0.021 (2) | 0.037 (3) | −0.003 (2) | 0.000 (2) | 0.001 (2) |
C3E | 0.038 (3) | 0.023 (2) | 0.040 (3) | −0.005 (2) | −0.004 (2) | −0.003 (2) |
C4E | 0.041 (3) | 0.024 (2) | 0.042 (3) | 0.000 (2) | −0.005 (3) | −0.003 (2) |
C5E | 0.040 (2) | 0.024 (2) | 0.040 (3) | 0.005 (2) | −0.002 (2) | −0.001 (2) |
C6E | 0.034 (2) | 0.021 (2) | 0.036 (2) | 0.0045 (19) | −0.001 (2) | 0.001 (2) |
C7E | 0.037 (2) | 0.0260 (19) | 0.036 (2) | 0.0073 (19) | −0.002 (2) | −0.0042 (19) |
C16E | 0.053 (3) | 0.050 (3) | 0.042 (3) | 0.005 (2) | −0.012 (2) | −0.008 (2) |
C8E | 0.035 (2) | 0.027 (2) | 0.040 (2) | 0.0075 (19) | 0.000 (2) | −0.007 (2) |
C9E | 0.037 (3) | 0.032 (2) | 0.044 (3) | 0.011 (2) | 0.006 (2) | −0.003 (2) |
C10E | 0.040 (3) | 0.038 (3) | 0.049 (3) | 0.010 (3) | 0.009 (3) | −0.001 (3) |
C11E | 0.040 (3) | 0.041 (3) | 0.054 (3) | 0.009 (3) | 0.015 (3) | 0.001 (3) |
C12E | 0.036 (2) | 0.035 (2) | 0.055 (3) | 0.006 (2) | 0.011 (2) | −0.002 (2) |
C13E | 0.035 (2) | 0.032 (2) | 0.049 (2) | 0.0080 (19) | 0.004 (2) | −0.006 (2) |
C14E | 0.040 (3) | 0.037 (2) | 0.047 (3) | 0.007 (2) | −0.003 (2) | −0.007 (2) |
C15E | 0.042 (2) | 0.040 (2) | 0.042 (2) | 0.007 (2) | −0.007 (2) | −0.009 (2) |
C17E | 0.060 (3) | 0.056 (3) | 0.041 (3) | 0.007 (3) | −0.011 (3) | −0.004 (3) |
C18E | 0.061 (3) | 0.054 (2) | 0.040 (3) | 0.007 (3) | −0.006 (3) | −0.002 (2) |
C19E | 0.054 (2) | 0.046 (2) | 0.036 (2) | 0.007 (2) | −0.007 (2) | −0.003 (2) |
C20E | 0.043 (2) | 0.036 (2) | 0.035 (2) | 0.006 (2) | −0.006 (2) | −0.007 (2) |
C21A | 0.042 (3) | 0.032 (4) | 0.028 (2) | −0.011 (3) | 0.008 (2) | −0.002 (3) |
C22A | 0.046 (3) | 0.032 (4) | 0.028 (2) | −0.011 (3) | 0.007 (3) | −0.002 (3) |
C23A | 0.050 (3) | 0.033 (4) | 0.031 (2) | −0.012 (3) | 0.005 (2) | −0.001 (3) |
C24A | 0.045 (3) | 0.033 (3) | 0.030 (2) | −0.013 (3) | 0.004 (2) | −0.002 (2) |
C29A | 0.089 (5) | 0.042 (4) | 0.032 (5) | 0.003 (4) | 0.016 (4) | 0.004 (4) |
C30A | 0.083 (3) | 0.041 (2) | 0.036 (3) | −0.007 (2) | 0.006 (2) | 0.000 (2) |
C31A | 0.081 (3) | 0.044 (3) | 0.038 (3) | −0.001 (3) | 0.007 (3) | 0.000 (3) |
C32A | 0.079 (4) | 0.041 (3) | 0.034 (3) | −0.001 (3) | 0.009 (3) | 0.002 (3) |
C33A | 0.077 (4) | 0.037 (3) | 0.036 (3) | −0.009 (3) | 0.002 (3) | 0.004 (3) |
C34A | 0.077 (4) | 0.039 (3) | 0.036 (3) | −0.010 (3) | 0.008 (3) | 0.002 (3) |
C35A | 0.082 (3) | 0.040 (3) | 0.034 (3) | −0.016 (3) | 0.009 (3) | 0.000 (3) |
O6B | 0.041 (2) | 0.032 (4) | 0.028 (2) | −0.014 (3) | 0.007 (2) | −0.002 (2) |
C5F | 0.037 (3) | 0.022 (2) | 0.039 (3) | 0.006 (2) | −0.001 (3) | −0.001 (2) |
C6F | 0.035 (2) | 0.022 (2) | 0.037 (2) | 0.003 (2) | 0.001 (2) | 0.001 (2) |
C1F | 0.035 (3) | 0.021 (2) | 0.037 (3) | −0.001 (2) | 0.001 (2) | 0.003 (2) |
C2F | 0.034 (3) | 0.022 (2) | 0.036 (3) | −0.002 (2) | −0.002 (3) | 0.001 (2) |
C3F | 0.038 (3) | 0.025 (2) | 0.041 (3) | −0.003 (2) | −0.003 (3) | −0.002 (2) |
C4F | 0.040 (3) | 0.024 (2) | 0.042 (3) | −0.001 (2) | −0.003 (3) | −0.002 (2) |
C7F | 0.037 (2) | 0.024 (2) | 0.035 (2) | 0.005 (2) | −0.002 (2) | −0.0050 (19) |
C8F | 0.046 (2) | 0.036 (2) | 0.035 (2) | 0.009 (2) | −0.005 (2) | −0.006 (2) |
C9F | 0.052 (3) | 0.042 (3) | 0.035 (3) | 0.010 (3) | −0.004 (3) | −0.004 (3) |
C10F | 0.058 (3) | 0.050 (3) | 0.037 (3) | 0.008 (3) | −0.005 (3) | −0.002 (3) |
C11F | 0.062 (3) | 0.054 (3) | 0.040 (3) | 0.009 (3) | −0.010 (3) | −0.001 (3) |
C12F | 0.057 (3) | 0.053 (3) | 0.040 (3) | 0.009 (3) | −0.013 (3) | −0.004 (2) |
C13F | 0.052 (2) | 0.045 (2) | 0.039 (2) | 0.008 (2) | −0.009 (2) | −0.006 (2) |
C14F | 0.044 (2) | 0.040 (2) | 0.043 (2) | 0.006 (2) | −0.009 (2) | −0.008 (2) |
C15F | 0.038 (2) | 0.033 (2) | 0.046 (2) | 0.009 (2) | −0.001 (2) | −0.007 (2) |
C16F | 0.035 (2) | 0.035 (2) | 0.053 (3) | 0.006 (2) | 0.003 (3) | −0.006 (2) |
C17F | 0.036 (3) | 0.037 (2) | 0.055 (3) | 0.007 (2) | 0.011 (2) | −0.004 (2) |
C18F | 0.038 (3) | 0.035 (2) | 0.052 (3) | 0.006 (2) | 0.009 (2) | −0.004 (2) |
C19F | 0.035 (2) | 0.032 (2) | 0.046 (3) | 0.006 (2) | 0.006 (2) | −0.007 (2) |
C20F | 0.035 (2) | 0.027 (2) | 0.043 (2) | 0.0072 (19) | 0.001 (2) | −0.006 (2) |
C21B | 0.042 (3) | 0.030 (4) | 0.028 (2) | −0.012 (3) | 0.008 (2) | −0.002 (3) |
C22B | 0.045 (3) | 0.031 (4) | 0.029 (2) | −0.012 (3) | 0.007 (3) | −0.001 (3) |
C23B | 0.049 (3) | 0.032 (4) | 0.031 (3) | −0.011 (3) | 0.004 (2) | 0.000 (3) |
C24B | 0.045 (3) | 0.032 (3) | 0.030 (2) | −0.013 (3) | 0.006 (2) | −0.002 (3) |
C29B | 0.085 (5) | 0.045 (4) | 0.033 (4) | −0.003 (4) | −0.001 (4) | 0.006 (4) |
C30B | 0.081 (3) | 0.041 (2) | 0.036 (2) | −0.007 (2) | 0.007 (2) | 0.001 (2) |
C31B | 0.082 (3) | 0.045 (3) | 0.040 (3) | 0.000 (3) | 0.006 (3) | −0.002 (3) |
C32B | 0.089 (4) | 0.047 (3) | 0.044 (3) | −0.001 (3) | 0.008 (3) | −0.001 (3) |
C33B | 0.094 (4) | 0.047 (3) | 0.042 (3) | −0.005 (3) | 0.003 (3) | 0.000 (3) |
C34B | 0.090 (4) | 0.046 (3) | 0.040 (3) | −0.015 (3) | 0.008 (3) | −0.001 (3) |
C35B | 0.084 (3) | 0.042 (3) | 0.035 (3) | −0.014 (3) | 0.009 (3) | 0.000 (3) |
C43B | 0.054 (5) | 0.081 (6) | 0.107 (6) | 0.003 (5) | 0.009 (5) | −0.005 (6) |
C44B | 0.059 (3) | 0.075 (4) | 0.099 (4) | 0.005 (3) | 0.011 (3) | −0.012 (3) |
C45B | 0.059 (3) | 0.073 (4) | 0.095 (4) | 0.004 (3) | 0.010 (3) | −0.009 (3) |
C46B | 0.060 (3) | 0.074 (4) | 0.098 (4) | 0.005 (3) | 0.008 (3) | −0.009 (4) |
C47B | 0.061 (3) | 0.074 (4) | 0.102 (4) | 0.005 (3) | 0.007 (3) | −0.013 (4) |
C48B | 0.062 (3) | 0.079 (4) | 0.106 (4) | 0.006 (3) | 0.007 (3) | −0.014 (4) |
C49B | 0.060 (3) | 0.077 (4) | 0.103 (4) | 0.007 (3) | 0.009 (3) | −0.016 (4) |
C36B | 0.046 (6) | 0.069 (7) | 0.067 (7) | −0.018 (6) | 0.004 (6) | 0.012 (7) |
C37B | 0.042 (3) | 0.076 (4) | 0.061 (4) | −0.012 (3) | 0.005 (3) | 0.009 (3) |
C38B | 0.040 (3) | 0.077 (4) | 0.057 (4) | −0.010 (3) | 0.001 (3) | 0.010 (3) |
C39B | 0.039 (4) | 0.077 (4) | 0.056 (4) | −0.010 (3) | 0.000 (3) | 0.010 (3) |
C40B | 0.042 (4) | 0.078 (4) | 0.058 (4) | −0.012 (3) | 0.002 (3) | 0.008 (3) |
C41B | 0.044 (3) | 0.079 (4) | 0.060 (4) | −0.014 (3) | 0.006 (3) | 0.006 (3) |
C42B | 0.044 (3) | 0.077 (4) | 0.061 (4) | −0.013 (3) | 0.007 (3) | 0.009 (3) |
C36A | 0.050 (4) | 0.089 (5) | 0.073 (5) | −0.015 (4) | 0.002 (4) | −0.005 (5) |
C37A | 0.042 (3) | 0.077 (4) | 0.059 (4) | −0.014 (3) | 0.007 (3) | 0.005 (3) |
C38A | 0.045 (3) | 0.077 (4) | 0.062 (4) | −0.015 (3) | 0.008 (3) | 0.009 (3) |
C39A | 0.043 (3) | 0.075 (4) | 0.063 (4) | −0.011 (3) | 0.002 (3) | 0.011 (3) |
C40A | 0.038 (3) | 0.078 (4) | 0.056 (4) | −0.008 (3) | 0.002 (3) | 0.010 (3) |
C41A | 0.039 (3) | 0.078 (4) | 0.054 (4) | −0.009 (3) | 0.000 (3) | 0.009 (3) |
C42A | 0.041 (3) | 0.076 (4) | 0.056 (4) | −0.011 (3) | 0.001 (3) | 0.008 (3) |
Yb1—Yb2 | 3.2587 (7) | C45A—H45A | 0.9500 |
Yb1—O1 | 2.191 (3) | C45A—C46A | 1.3894 |
Yb1—O2 | 2.236 (3) | C46A—H46A | 0.9500 |
Yb1—O3 | 2.077 (3) | C46A—C47A | 1.3904 |
Yb1—O5 | 2.306 (3) | C47A—H47A | 0.9500 |
Yb1—O6A | 2.309 (6) | C47A—C48A | 1.3896 |
Yb1—O7 | 2.229 (3) | C48A—H48A | 0.9500 |
Yb1—O6B | 2.310 (7) | C48A—C49A | 1.3901 |
Yb2—O1 | 2.413 (3) | C49A—H49A | 0.9500 |
Yb2—O2 | 2.352 (3) | O6A—C21A | 1.42 (2) |
Yb2—O4 | 2.165 (3) | O6A—C24A | 1.439 (18) |
Yb2—O7 | 2.416 (3) | C1E—C2E | 1.3900 |
Yb2—C18D | 3.190 (3) | C1E—C6E | 1.3900 |
Yb2—C19D | 2.970 (3) | C2E—H2E | 0.9500 |
O1—C1D | 1.353 (5) | C2E—C3E | 1.3900 |
O2—C1B | 1.357 (5) | C3E—H3E | 0.9500 |
O3—C1A | 1.338 (5) | C3E—C4E | 1.3900 |
O4—C1C | 1.320 (5) | C4E—H4E | 0.9500 |
O5—C25 | 1.464 (5) | C4E—C5E | 1.3900 |
O5—C28 | 1.457 (6) | C5E—H5E | 0.9500 |
O7—C1E | 1.336 (5) | C5E—C6E | 1.3900 |
O7—C1F | 1.431 (5) | C6E—C7E | 1.526 (5) |
C1A—C2A | 1.394 (6) | C7E—C8E | 1.4280 |
C1A—C6A | 1.414 (6) | C7E—C20E | 1.4132 |
C1B—C2B | 1.388 (6) | C16E—H16E | 0.9500 |
C1B—C6B | 1.401 (6) | C16E—C15E | 1.4220 |
C1C—C2C | 1.405 (7) | C16E—C17E | 1.3461 |
C1C—C6C | 1.417 (7) | C8E—C9E | 1.4294 |
C1D—C2D | 1.396 (7) | C8E—C13E | 1.4241 |
C1D—C6D | 1.399 (7) | C9E—H9E | 0.9500 |
C2A—H2A | 0.9500 | C9E—C10E | 1.3833 |
C2A—C3A | 1.375 (6) | C10E—H10E | 0.9500 |
C2B—H2B | 0.9500 | C10E—C11E | 1.4114 |
C2B—C3B | 1.373 (6) | C11E—H11E | 0.9500 |
C2C—H2C | 0.9500 | C11E—C12E | 1.3817 |
C2C—C3C | 1.384 (7) | C12E—H12E | 0.9500 |
C2D—H2D | 0.9500 | C12E—C13E | 1.4270 |
C2D—C3D | 1.382 (7) | C13E—C14E | 1.3925 |
C3A—H3A | 0.9500 | C14E—H14E | 0.9500 |
C3A—C4A | 1.368 (7) | C14E—C15E | 1.3868 |
C3B—H3B | 0.9500 | C15E—C20E | 1.4215 |
C3B—C4B | 1.381 (7) | C17E—H17E | 0.9500 |
C3C—H3C | 0.9500 | C17E—C18E | 1.4117 |
C3C—C4C | 1.380 (8) | C18E—H18E | 0.9500 |
C3D—H3D | 0.9500 | C18E—C19E | 1.3440 |
C3D—C4D | 1.375 (8) | C19E—H19E | 0.9500 |
C4A—H4A | 0.9500 | C19E—C20E | 1.4494 |
C4A—C5A | 1.380 (7) | C21A—H21A | 0.9900 |
C4B—H4B | 0.9500 | C21A—H21B | 0.9900 |
C4B—C5B | 1.381 (7) | C21A—C22A | 1.56 (2) |
C4C—H4C | 0.9500 | C22A—H22A | 0.9900 |
C4C—C5C | 1.385 (8) | C22A—H22B | 0.9900 |
C4D—H4D | 0.9500 | C22A—C23A | 1.40 (2) |
C4D—C5D | 1.382 (8) | C23A—H23A | 0.9900 |
C5A—H5A | 0.9500 | C23A—H23B | 0.9900 |
C5A—C6A | 1.394 (6) | C23A—C24A | 1.381 (17) |
C5B—H5B | 0.9500 | C24A—H24A | 0.9900 |
C5B—C6B | 1.385 (7) | C24A—H24B | 0.9900 |
C5C—H5C | 0.9500 | C29A—H29A | 0.9800 |
C5C—C6C | 1.384 (6) | C29A—H29B | 0.9800 |
C5D—H5D | 0.9500 | C29A—H29C | 0.9800 |
C5D—C6D | 1.399 (7) | C29A—C30A | 1.4201 |
C6A—C7A | 1.481 (6) | C30A—C31A | 1.3905 |
C6B—C7B | 1.496 (6) | C30A—C35A | 1.3887 |
C6C—C7C | 1.489 (7) | C31A—H31A | 0.9500 |
C6D—C7D | 1.493 (7) | C31A—C32A | 1.3909 |
C7A—C8A | 1.409 (6) | C32A—H32A | 0.9500 |
C7A—C20A | 1.416 (6) | C32A—C33A | 1.3908 |
C7B—C8B | 1.407 (7) | C33A—H33A | 0.9500 |
C7B—C20B | 1.408 (7) | C33A—C34A | 1.3893 |
C7C—C8C | 1.416 (7) | C34A—H34A | 0.9500 |
C7C—C20C | 1.415 (6) | C34A—C35A | 1.3906 |
C7D—C8D | 1.420 (7) | C35A—H35A | 0.9500 |
C7D—C20D | 1.414 (7) | O6B—C21B | 1.44 (3) |
C8A—C9A | 1.430 (6) | O6B—C24B | 1.49 (2) |
C8A—C13A | 1.432 (6) | C5F—H5F | 0.9500 |
C8B—C9B | 1.430 (7) | C5F—C6F | 1.3900 |
C8B—C13B | 1.446 (6) | C5F—C4F | 1.3900 |
C8C—C9C | 1.431 (7) | C6F—C1F | 1.3900 |
C8C—C13C | 1.441 (8) | C6F—C7F | 1.490 (5) |
C8D—C9D | 1.421 (9) | C1F—C2F | 1.3900 |
C8D—C13D | 1.420 (8) | C2F—H2F | 0.9500 |
C9A—H9A | 0.9500 | C2F—C3F | 1.3900 |
C9A—C10A | 1.352 (7) | C3F—H3F | 0.9500 |
C9B—H9B | 0.9500 | C3F—C4F | 1.3900 |
C9B—C10B | 1.353 (7) | C4F—H4F | 0.9500 |
C9C—H9C | 0.9500 | C7F—C8F | 1.4125 |
C9C—C10C | 1.380 (9) | C7F—C20F | 1.4284 |
C9D—H9D | 0.9500 | C8F—C9F | 1.4501 |
C9D—C10D | 1.356 (8) | C8F—C13F | 1.4210 |
C10A—H10A | 0.9500 | C9F—H9F | 0.9500 |
C10A—C11A | 1.405 (7) | C9F—C10F | 1.3440 |
C10B—H10B | 0.9500 | C10F—H10F | 0.9500 |
C10B—C11B | 1.420 (7) | C10F—C11F | 1.4120 |
C10C—H10C | 0.9500 | C11F—H11F | 0.9500 |
C10C—C11C | 1.406 (11) | C11F—C12F | 1.3448 |
C10D—H10D | 0.9500 | C12F—H12F | 0.9500 |
C10D—C11D | 1.395 (11) | C12F—C13F | 1.4220 |
C11A—H11A | 0.9500 | C13F—C14F | 1.3877 |
C11A—C12A | 1.359 (7) | C14F—H14F | 0.9500 |
C11B—H11B | 0.9500 | C14F—C15F | 1.3922 |
C11B—C12B | 1.352 (8) | C15F—C16F | 1.4273 |
C11C—H11C | 0.9500 | C15F—C20F | 1.4232 |
C11C—C12C | 1.329 (10) | C16F—H16F | 0.9500 |
C11D—H11D | 0.9500 | C16F—C17F | 1.3829 |
C11D—C12D | 1.339 (11) | C17F—H17F | 0.9500 |
C12A—H12A | 0.9500 | C17F—C18F | 1.4120 |
C12A—C13A | 1.413 (7) | C18F—H18F | 0.9500 |
C12B—H12B | 0.9500 | C18F—C19F | 1.3834 |
C12B—C13B | 1.433 (7) | C19F—H19F | 0.9500 |
C12C—H12C | 0.9500 | C19F—C20F | 1.4290 |
C12C—C13C | 1.437 (8) | C21B—H21C | 0.9900 |
C12D—H12D | 0.9500 | C21B—H21D | 0.9900 |
C12D—C13D | 1.443 (8) | C21B—C22B | 1.49 (3) |
C13A—C14A | 1.401 (6) | C22B—H22C | 0.9900 |
C13B—C14B | 1.379 (7) | C22B—H22D | 0.9900 |
C13C—C14C | 1.374 (8) | C22B—C23B | 1.63 (2) |
C13D—C14D | 1.394 (9) | C23B—H23C | 0.9900 |
C14A—H14A | 0.9500 | C23B—H23D | 0.9900 |
C14A—C15A | 1.388 (7) | C23B—C24B | 1.33 (2) |
C14B—H14B | 0.9500 | C24B—H24C | 0.9900 |
C14B—C15B | 1.388 (7) | C24B—H24D | 0.9900 |
C14C—H14C | 0.9500 | C29B—H29D | 0.9800 |
C14C—C15C | 1.378 (7) | C29B—H29E | 0.9800 |
C14D—H14D | 0.9500 | C29B—H29F | 0.9800 |
C14D—C15D | 1.403 (8) | C29B—C30B | 1.4186 |
C15A—C16A | 1.422 (6) | C30B—C31B | 1.3922 |
C15A—C20A | 1.438 (6) | C30B—C35B | 1.3897 |
C15B—C16B | 1.436 (7) | C31B—H31B | 0.9500 |
C15B—C20B | 1.432 (6) | C31B—C32B | 1.3893 |
C15C—C16C | 1.434 (7) | C32B—H32B | 0.9500 |
C15C—C20C | 1.434 (7) | C32B—C33B | 1.3898 |
C15D—C16D | 1.414 (8) | C33B—H33B | 0.9500 |
C15D—C20D | 1.426 (7) | C33B—C34B | 1.3904 |
C16A—H16A | 0.9500 | C34B—H34B | 0.9500 |
C16A—C17A | 1.353 (7) | C34B—C35B | 1.3896 |
C16B—H16B | 0.9500 | C35B—H35B | 0.9500 |
C16B—C17B | 1.349 (8) | C43B—H43D | 0.9800 |
C16C—H16C | 0.9500 | C43B—H43E | 0.9800 |
C16C—C17C | 1.350 (8) | C43B—H43F | 0.9800 |
C16D—H16D | 0.9500 | C43B—C44B | 1.4189 |
C16D—C17D | 1.364 (8) | C44B—C45B | 1.3923 |
C17A—H17A | 0.9500 | C44B—C49B | 1.3889 |
C17A—C18A | 1.415 (7) | C45B—H45B | 0.9500 |
C17B—H17B | 0.9500 | C45B—C46B | 1.3896 |
C17B—C18B | 1.419 (7) | C46B—H46B | 0.9500 |
C17C—H17C | 0.9500 | C46B—C47B | 1.3906 |
C17C—C18C | 1.421 (8) | C47B—H47B | 0.9500 |
C17D—H17D | 0.9500 | C47B—C48B | 1.3899 |
C17D—C18D | 1.433 (7) | C48B—H48B | 0.9500 |
C18A—H18A | 0.9500 | C48B—C49B | 1.3907 |
C18A—C19A | 1.367 (6) | C49B—H49B | 0.9500 |
C18B—H18B | 0.9500 | C36B—H36A | 0.9800 |
C18B—C19B | 1.366 (7) | C36B—H36B | 0.9800 |
C18C—H18C | 0.9500 | C36B—H36C | 0.9800 |
C18C—C19C | 1.349 (7) | C36B—C37B | 1.4191 |
C18D—H18D | 0.9500 | C37B—C38B | 1.3924 |
C18D—C19D | 1.358 (7) | C37B—C42B | 1.3880 |
C19A—H19A | 0.9500 | C38B—H38B | 0.9500 |
C19A—C20A | 1.424 (6) | C38B—C39B | 1.3890 |
C19B—H19B | 0.9500 | C39B—H39B | 0.9500 |
C19B—C20B | 1.425 (7) | C39B—C40B | 1.3911 |
C19C—H19C | 0.9500 | C40B—H40B | 0.9500 |
C19C—C20C | 1.435 (7) | C40B—C41B | 1.3898 |
C19D—H19D | 0.9500 | C41B—H41B | 0.9500 |
C19D—C20D | 1.430 (7) | C41B—C42B | 1.3902 |
C25—H25A | 0.9900 | C42B—H42B | 0.9500 |
C25—H25B | 0.9900 | C36A—H36D | 0.9800 |
C25—C26 | 1.466 (8) | C36A—H36E | 0.9800 |
C26—H26A | 0.9900 | C36A—H36F | 0.9800 |
C26—H26B | 0.9900 | C36A—C37A | 1.4192 |
C26—C27 | 1.511 (8) | C37A—C38A | 1.3922 |
C27—H27A | 0.9900 | C37A—C42A | 1.3883 |
C27—H27B | 0.9900 | C38A—H38A | 0.9500 |
C27—C28 | 1.501 (7) | C38A—C39A | 1.3896 |
C28—H28A | 0.9900 | C39A—H39A | 0.9500 |
C28—H28B | 0.9900 | C39A—C40A | 1.3910 |
C43A—H43A | 0.9800 | C40A—H40A | 0.9500 |
C43A—H43B | 0.9800 | C40A—C41A | 1.3900 |
C43A—H43C | 0.9800 | C41A—H41A | 0.9500 |
C43A—C44A | 1.4193 | C41A—C42A | 1.3904 |
C44A—C45A | 1.3920 | C42A—H42A | 0.9500 |
C44A—C49A | 1.3888 | ||
O1—Yb1—O2 | 82.10 (11) | C45A—C44A—C43A | 119.3 |
O1—Yb1—O5 | 86.34 (12) | C49A—C44A—C43A | 120.5 |
O1—Yb1—O7 | 77.59 (12) | C49A—C44A—C45A | 120.0 |
O1—Yb1—O6A | 158.2 (3) | C44A—C45A—H45A | 120.0 |
O1—Yb1—O6B | 165.6 (4) | C46A—C45A—C44A | 119.9 |
O2—Yb1—O5 | 168.04 (11) | C46A—C45A—H45A | 120.0 |
O2—Yb1—O6A | 100.6 (5) | C45A—C46A—H46A | 120.0 |
O2—Yb1—O6B | 100.4 (6) | C45A—C46A—C47A | 120.1 |
O3—Yb1—O1 | 106.85 (12) | C47A—C46A—H46A | 120.0 |
O3—Yb1—O2 | 94.92 (12) | C46A—C47A—H47A | 120.0 |
O3—Yb1—O5 | 85.50 (12) | C48A—C47A—C46A | 120.0 |
O3—Yb1—O7 | 170.39 (12) | C48A—C47A—H47A | 120.0 |
O3—Yb1—O6A | 94.5 (3) | C47A—C48A—H48A | 120.0 |
O3—Yb1—O6B | 87.2 (4) | C47A—C48A—C49A | 120.0 |
O5—Yb1—O6A | 91.2 (5) | C49A—C48A—H48A | 120.0 |
O5—Yb1—O6B | 91.6 (6) | C44A—C49A—C48A | 120.0 |
O7—Yb1—O2 | 77.07 (11) | C44A—C49A—H49A | 120.0 |
O7—Yb1—O5 | 103.45 (11) | C48A—C49A—H49A | 120.0 |
O7—Yb1—O6A | 82.0 (3) | C21A—O6A—Yb1 | 130.8 (10) |
O7—Yb1—O6B | 89.1 (4) | C21A—O6A—C24A | 105.8 (10) |
O1—Yb2—O7 | 69.99 (10) | C24A—O6A—Yb1 | 120.3 (9) |
O2—Yb2—O1 | 75.17 (10) | O7—C1E—C2E | 112.7 (4) |
O2—Yb2—O7 | 71.36 (11) | O7—C1E—C6E | 127.3 (4) |
O4—Yb2—O1 | 137.75 (12) | C2E—C1E—C6E | 120.0 |
O4—Yb2—O2 | 147.05 (12) | C1E—C2E—H2E | 120.0 |
O4—Yb2—O7 | 115.61 (11) | C3E—C2E—C1E | 120.0 |
Yb1—O1—Yb2 | 89.98 (11) | C3E—C2E—H2E | 120.0 |
Yb1—O2—Yb2 | 90.47 (11) | C2E—C3E—H3E | 120.0 |
Yb1—O7—Yb2 | 88.99 (11) | C2E—C3E—C4E | 120.0 |
C1D—O1—Yb1 | 139.0 (3) | C4E—C3E—H3E | 120.0 |
C1D—O1—Yb2 | 115.6 (3) | C3E—C4E—H4E | 120.0 |
C1B—O2—Yb1 | 125.2 (3) | C5E—C4E—C3E | 120.0 |
C1B—O2—Yb2 | 126.8 (3) | C5E—C4E—H4E | 120.0 |
C1A—O3—Yb1 | 162.0 (3) | C4E—C5E—H5E | 120.0 |
C1C—O4—Yb2 | 166.3 (3) | C4E—C5E—C6E | 120.0 |
C25—O5—Yb1 | 121.4 (3) | C6E—C5E—H5E | 120.0 |
C28—O5—Yb1 | 132.8 (3) | C1E—C6E—C7E | 119.1 (4) |
C28—O5—C25 | 105.8 (4) | C5E—C6E—C1E | 120.0 |
C1E—O7—Yb1 | 144.7 (4) | C5E—C6E—C7E | 120.9 (4) |
C1E—O7—Yb2 | 113.1 (3) | C8E—C7E—C6E | 119.6 (3) |
C1F—O7—Yb1 | 125.5 (4) | C20E—C7E—C6E | 120.1 (3) |
C1F—O7—Yb2 | 116.5 (4) | C20E—C7E—C8E | 119.1 |
O3—C1A—C2A | 121.2 (4) | C15E—C16E—H16E | 118.8 |
O3—C1A—C6A | 120.3 (4) | C17E—C16E—H16E | 118.8 |
C2A—C1A—C6A | 118.5 (4) | C17E—C16E—C15E | 122.3 |
O2—C1B—C2B | 120.0 (4) | C7E—C8E—C9E | 120.5 |
O2—C1B—C6B | 120.7 (4) | C13E—C8E—C7E | 120.0 |
C2B—C1B—C6B | 119.2 (4) | C13E—C8E—C9E | 119.5 |
O4—C1C—C2C | 120.3 (5) | C8E—C9E—H9E | 120.0 |
O4—C1C—C6C | 121.9 (4) | C10E—C9E—C8E | 120.0 |
C2C—C1C—C6C | 117.8 (4) | C10E—C9E—H9E | 120.0 |
O1—C1D—C2D | 120.6 (4) | C9E—C10E—H10E | 119.9 |
O1—C1D—C6D | 120.5 (4) | C9E—C10E—C11E | 120.3 |
C2D—C1D—C6D | 118.8 (4) | C11E—C10E—H10E | 119.9 |
C1A—C2A—H2A | 119.5 | C10E—C11E—H11E | 119.5 |
C3A—C2A—C1A | 121.0 (4) | C12E—C11E—C10E | 121.0 |
C3A—C2A—H2A | 119.5 | C12E—C11E—H11E | 119.5 |
C1B—C2B—H2B | 119.4 | C11E—C12E—H12E | 120.0 |
C3B—C2B—C1B | 121.1 (4) | C11E—C12E—C13E | 120.0 |
C3B—C2B—H2B | 119.4 | C13E—C12E—H12E | 120.0 |
C1C—C2C—H2C | 119.4 | C8E—C13E—C12E | 119.0 |
C3C—C2C—C1C | 121.1 (5) | C14E—C13E—C8E | 119.5 |
C3C—C2C—H2C | 119.4 | C14E—C13E—C12E | 121.5 |
C1D—C2D—H2D | 119.6 | C13E—C14E—H14E | 119.5 |
C3D—C2D—C1D | 120.9 (5) | C15E—C14E—C13E | 121.0 |
C3D—C2D—H2D | 119.6 | C15E—C14E—H14E | 119.5 |
C2A—C3A—H3A | 119.4 | C14E—C15E—C16E | 122.5 |
C4A—C3A—C2A | 121.3 (5) | C14E—C15E—C20E | 120.6 |
C4A—C3A—H3A | 119.4 | C20E—C15E—C16E | 116.9 |
C2B—C3B—H3B | 120.0 | C16E—C17E—H17E | 119.7 |
C2B—C3B—C4B | 120.0 (4) | C16E—C17E—C18E | 120.7 |
C4B—C3B—H3B | 120.0 | C18E—C17E—H17E | 119.7 |
C2C—C3C—H3C | 119.5 | C17E—C18E—H18E | 119.9 |
C4C—C3C—C2C | 120.9 (5) | C19E—C18E—C17E | 120.1 |
C4C—C3C—H3C | 119.5 | C19E—C18E—H18E | 119.9 |
C2D—C3D—H3D | 119.8 | C18E—C19E—H19E | 119.7 |
C4D—C3D—C2D | 120.4 (5) | C18E—C19E—C20E | 120.5 |
C4D—C3D—H3D | 119.8 | C20E—C19E—H19E | 119.7 |
C3A—C4A—H4A | 120.8 | C7E—C20E—C15E | 119.6 |
C3A—C4A—C5A | 118.5 (4) | C7E—C20E—C19E | 121.2 |
C5A—C4A—H4A | 120.8 | C15E—C20E—C19E | 119.3 |
C3B—C4B—H4B | 120.5 | O6A—C21A—H21A | 110.7 |
C3B—C4B—C5B | 119.0 (5) | O6A—C21A—H21B | 110.7 |
C5B—C4B—H4B | 120.5 | O6A—C21A—C22A | 105.4 (13) |
C3C—C4C—H4C | 120.7 | H21A—C21A—H21B | 108.8 |
C3C—C4C—C5C | 118.5 (5) | C22A—C21A—H21A | 110.7 |
C5C—C4C—H4C | 120.7 | C22A—C21A—H21B | 110.7 |
C3D—C4D—H4D | 120.2 | C21A—C22A—H22A | 110.6 |
C3D—C4D—C5D | 119.6 (5) | C21A—C22A—H22B | 110.6 |
C5D—C4D—H4D | 120.2 | H22A—C22A—H22B | 108.7 |
C4A—C5A—H5A | 118.8 | C23A—C22A—C21A | 105.7 (14) |
C4A—C5A—C6A | 122.3 (4) | C23A—C22A—H22A | 110.6 |
C6A—C5A—H5A | 118.8 | C23A—C22A—H22B | 110.6 |
C4B—C5B—H5B | 119.0 | C22A—C23A—H23A | 110.5 |
C4B—C5B—C6B | 122.0 (5) | C22A—C23A—H23B | 110.5 |
C6B—C5B—H5B | 119.0 | H23A—C23A—H23B | 108.6 |
C4C—C5C—H5C | 118.9 | C24A—C23A—C22A | 106.4 (13) |
C6C—C5C—C4C | 122.2 (5) | C24A—C23A—H23A | 110.5 |
C6C—C5C—H5C | 118.9 | C24A—C23A—H23B | 110.5 |
C4D—C5D—H5D | 119.6 | O6A—C24A—H24A | 109.2 |
C4D—C5D—C6D | 120.9 (5) | O6A—C24A—H24B | 109.2 |
C6D—C5D—H5D | 119.6 | C23A—C24A—O6A | 112.0 (10) |
C1A—C6A—C7A | 123.2 (4) | C23A—C24A—H24A | 109.2 |
C5A—C6A—C1A | 118.3 (4) | C23A—C24A—H24B | 109.2 |
C5A—C6A—C7A | 118.4 (4) | H24A—C24A—H24B | 107.9 |
C1B—C6B—C7B | 120.5 (4) | H29A—C29A—H29B | 109.5 |
C5B—C6B—C1B | 118.3 (4) | H29A—C29A—H29C | 109.5 |
C5B—C6B—C7B | 121.0 (4) | H29B—C29A—H29C | 109.5 |
C1C—C6C—C7C | 120.9 (4) | C30A—C29A—H29A | 109.5 |
C5C—C6C—C1C | 119.4 (5) | C30A—C29A—H29B | 109.5 |
C5C—C6C—C7C | 119.7 (4) | C30A—C29A—H29C | 109.5 |
C1D—C6D—C7D | 119.8 (4) | C31A—C30A—C29A | 119.4 |
C5D—C6D—C1D | 119.4 (5) | C35A—C30A—C29A | 120.5 |
C5D—C6D—C7D | 120.8 (5) | C35A—C30A—C31A | 120.0 |
C8A—C7A—C6A | 120.2 (4) | C30A—C31A—H31A | 120.0 |
C8A—C7A—C20A | 119.4 (4) | C30A—C31A—C32A | 120.0 |
C20A—C7A—C6A | 120.2 (4) | C32A—C31A—H31A | 120.0 |
C8B—C7B—C6B | 121.7 (4) | C31A—C32A—H32A | 120.0 |
C8B—C7B—C20B | 119.9 (4) | C33A—C32A—C31A | 119.9 |
C20B—C7B—C6B | 118.3 (4) | C33A—C32A—H32A | 120.0 |
C8C—C7C—C6C | 120.7 (4) | C32A—C33A—H33A | 120.0 |
C20C—C7C—C6C | 120.7 (4) | C34A—C33A—C32A | 120.1 |
C20C—C7C—C8C | 118.6 (5) | C34A—C33A—H33A | 120.0 |
C8D—C7D—C6D | 120.5 (5) | C33A—C34A—H34A | 120.0 |
C20D—C7D—C6D | 119.6 (4) | C33A—C34A—C35A | 119.9 |
C20D—C7D—C8D | 119.8 (5) | C35A—C34A—H34A | 120.0 |
C7A—C8A—C9A | 121.7 (4) | C30A—C35A—C34A | 120.0 |
C7A—C8A—C13A | 120.0 (4) | C30A—C35A—H35A | 120.0 |
C9A—C8A—C13A | 118.3 (4) | C34A—C35A—H35A | 120.0 |
C7B—C8B—C9B | 123.2 (4) | C21B—O6B—Yb1 | 129.0 (14) |
C7B—C8B—C13B | 118.9 (4) | C21B—O6B—C24B | 106.7 (13) |
C9B—C8B—C13B | 117.9 (4) | C24B—O6B—Yb1 | 115.4 (10) |
C7C—C8C—C9C | 122.6 (5) | C6F—C5F—H5F | 120.0 |
C7C—C8C—C13C | 119.9 (5) | C6F—C5F—C4F | 120.0 |
C9C—C8C—C13C | 117.5 (5) | C4F—C5F—H5F | 120.0 |
C7D—C8D—C9D | 122.6 (6) | C5F—C6F—C7F | 118.0 (5) |
C13D—C8D—C7D | 119.6 (6) | C1F—C6F—C5F | 120.0 |
C13D—C8D—C9D | 117.8 (5) | C1F—C6F—C7F | 121.9 (5) |
C8A—C9A—H9A | 119.3 | C6F—C1F—O7 | 114.3 (5) |
C10A—C9A—C8A | 121.5 (4) | C2F—C1F—O7 | 125.6 (5) |
C10A—C9A—H9A | 119.3 | C2F—C1F—C6F | 120.0 |
C8B—C9B—H9B | 119.0 | C1F—C2F—H2F | 120.0 |
C10B—C9B—C8B | 121.9 (5) | C1F—C2F—C3F | 120.0 |
C10B—C9B—H9B | 119.0 | C3F—C2F—H2F | 120.0 |
C8C—C9C—H9C | 119.9 | C2F—C3F—H3F | 120.0 |
C10C—C9C—C8C | 120.1 (7) | C2F—C3F—C4F | 120.0 |
C10C—C9C—H9C | 119.9 | C4F—C3F—H3F | 120.0 |
C8D—C9D—H9D | 119.0 | C5F—C4F—H4F | 120.0 |
C10D—C9D—C8D | 122.0 (7) | C3F—C4F—C5F | 120.0 |
C10D—C9D—H9D | 119.0 | C3F—C4F—H4F | 120.0 |
C9A—C10A—H10A | 120.0 | C8F—C7F—C6F | 118.2 (4) |
C9A—C10A—C11A | 120.0 (5) | C8F—C7F—C20F | 119.0 |
C11A—C10A—H10A | 120.0 | C20F—C7F—C6F | 122.6 (4) |
C9B—C10B—H10B | 119.8 | C7F—C8F—C9F | 121.1 |
C9B—C10B—C11B | 120.3 (5) | C7F—C8F—C13F | 119.6 |
C11B—C10B—H10B | 119.8 | C13F—C8F—C9F | 119.2 |
C9C—C10C—H10C | 119.4 | C8F—C9F—H9F | 119.7 |
C9C—C10C—C11C | 121.2 (7) | C10F—C9F—C8F | 120.6 |
C11C—C10C—H10C | 119.4 | C10F—C9F—H9F | 119.7 |
C9D—C10D—H10D | 120.3 | C9F—C10F—H10F | 120.0 |
C9D—C10D—C11D | 119.4 (8) | C9F—C10F—C11F | 120.1 |
C11D—C10D—H10D | 120.3 | C11F—C10F—H10F | 120.0 |
C10A—C11A—H11A | 119.8 | C10F—C11F—H11F | 119.6 |
C12A—C11A—C10A | 120.4 (5) | C12F—C11F—C10F | 120.7 |
C12A—C11A—H11A | 119.8 | C12F—C11F—H11F | 119.6 |
C10B—C11B—H11B | 119.9 | C11F—C12F—H12F | 118.8 |
C12B—C11B—C10B | 120.1 (5) | C11F—C12F—C13F | 122.3 |
C12B—C11B—H11B | 119.9 | C13F—C12F—H12F | 118.8 |
C10C—C11C—H11C | 119.5 | C8F—C13F—C12F | 117.0 |
C12C—C11C—C10C | 121.0 (7) | C14F—C13F—C8F | 120.5 |
C12C—C11C—H11C | 119.5 | C14F—C13F—C12F | 122.5 |
C10D—C11D—H11D | 118.8 | C13F—C14F—H14F | 119.5 |
C12D—C11D—C10D | 122.4 (7) | C13F—C14F—C15F | 121.0 |
C12D—C11D—H11D | 118.8 | C15F—C14F—H14F | 119.5 |
C11A—C12A—H12A | 119.0 | C14F—C15F—C16F | 121.5 |
C11A—C12A—C13A | 121.9 (5) | C14F—C15F—C20F | 119.5 |
C13A—C12A—H12A | 119.0 | C20F—C15F—C16F | 119.1 |
C11B—C12B—H12B | 119.0 | C15F—C16F—H16F | 120.0 |
C11B—C12B—C13B | 122.1 (5) | C17F—C16F—C15F | 120.0 |
C13B—C12B—H12B | 119.0 | C17F—C16F—H16F | 120.0 |
C11C—C12C—H12C | 119.6 | C16F—C17F—H17F | 119.5 |
C11C—C12C—C13C | 120.8 (7) | C16F—C17F—C18F | 121.0 |
C13C—C12C—H12C | 119.6 | C18F—C17F—H17F | 119.5 |
C11D—C12D—H12D | 120.2 | C17F—C18F—H18F | 119.9 |
C11D—C12D—C13D | 119.7 (7) | C19F—C18F—C17F | 120.3 |
C13D—C12D—H12D | 120.2 | C19F—C18F—H18F | 119.9 |
C12A—C13A—C8A | 117.8 (4) | C18F—C19F—H19F | 120.0 |
C14A—C13A—C8A | 119.6 (4) | C18F—C19F—C20F | 120.0 |
C14A—C13A—C12A | 122.6 (5) | C20F—C19F—H19F | 120.0 |
C12B—C13B—C8B | 117.7 (4) | C7F—C20F—C19F | 120.4 |
C14B—C13B—C8B | 120.1 (5) | C15F—C20F—C7F | 120.0 |
C14B—C13B—C12B | 122.2 (4) | C15F—C20F—C19F | 119.5 |
C12C—C13C—C8C | 119.4 (6) | O6B—C21B—H21C | 110.8 |
C14C—C13C—C8C | 119.7 (5) | O6B—C21B—H21D | 110.8 |
C14C—C13C—C12C | 120.9 (6) | O6B—C21B—C22B | 104.7 (15) |
C8D—C13D—C12D | 118.8 (7) | H21C—C21B—H21D | 108.9 |
C14D—C13D—C8D | 119.4 (5) | C22B—C21B—H21C | 110.8 |
C14D—C13D—C12D | 121.8 (6) | C22B—C21B—H21D | 110.8 |
C13A—C14A—H14A | 119.3 | C21B—C22B—H22C | 111.2 |
C15A—C14A—C13A | 121.4 (4) | C21B—C22B—H22D | 111.2 |
C15A—C14A—H14A | 119.3 | C21B—C22B—C23B | 102.6 (16) |
C13B—C14B—H14B | 119.2 | H22C—C22B—H22D | 109.2 |
C13B—C14B—C15B | 121.7 (4) | C23B—C22B—H22C | 111.2 |
C15B—C14B—H14B | 119.2 | C23B—C22B—H22D | 111.2 |
C13C—C14C—H14C | 119.0 | C22B—C23B—H23C | 110.3 |
C13C—C14C—C15C | 121.9 (5) | C22B—C23B—H23D | 110.3 |
C15C—C14C—H14C | 119.0 | H23C—C23B—H23D | 108.6 |
C13D—C14D—H14D | 118.8 | C24B—C23B—C22B | 106.9 (13) |
C13D—C14D—C15D | 122.4 (5) | C24B—C23B—H23C | 110.3 |
C15D—C14D—H14D | 118.8 | C24B—C23B—H23D | 110.3 |
C14A—C15A—C16A | 121.8 (4) | O6B—C24B—H24C | 110.0 |
C14A—C15A—C20A | 119.3 (4) | O6B—C24B—H24D | 110.0 |
C16A—C15A—C20A | 118.9 (4) | C23B—C24B—O6B | 108.2 (12) |
C14B—C15B—C16B | 122.3 (5) | C23B—C24B—H24C | 110.0 |
C14B—C15B—C20B | 119.0 (4) | C23B—C24B—H24D | 110.0 |
C20B—C15B—C16B | 118.6 (5) | H24C—C24B—H24D | 108.4 |
C14C—C15C—C16C | 122.1 (5) | H29D—C29B—H29E | 109.5 |
C14C—C15C—C20C | 119.5 (5) | H29D—C29B—H29F | 109.5 |
C20C—C15C—C16C | 118.4 (5) | H29E—C29B—H29F | 109.5 |
C14D—C15D—C16D | 122.8 (5) | C30B—C29B—H29D | 109.5 |
C14D—C15D—C20D | 118.2 (6) | C30B—C29B—H29E | 109.5 |
C16D—C15D—C20D | 119.0 (5) | C30B—C29B—H29F | 109.5 |
C15A—C16A—H16A | 119.6 | C31B—C30B—C29B | 119.4 |
C17A—C16A—C15A | 120.8 (5) | C35B—C30B—C29B | 120.5 |
C17A—C16A—H16A | 119.6 | C35B—C30B—C31B | 120.0 |
C15B—C16B—H16B | 119.2 | C30B—C31B—H31B | 120.0 |
C17B—C16B—C15B | 121.6 (5) | C32B—C31B—C30B | 119.9 |
C17B—C16B—H16B | 119.2 | C32B—C31B—H31B | 120.0 |
C15C—C16C—H16C | 119.4 | C31B—C32B—H32B | 120.0 |
C17C—C16C—C15C | 121.1 (5) | C31B—C32B—C33B | 120.1 |
C17C—C16C—H16C | 119.4 | C33B—C32B—H32B | 120.0 |
C15D—C16D—H16D | 119.1 | C32B—C33B—H33B | 120.0 |
C17D—C16D—C15D | 121.9 (5) | C32B—C33B—C34B | 120.0 |
C17D—C16D—H16D | 119.1 | C34B—C33B—H33B | 120.0 |
C16A—C17A—H17A | 119.6 | C33B—C34B—H34B | 120.0 |
C16A—C17A—C18A | 120.8 (4) | C35B—C34B—C33B | 120.0 |
C18A—C17A—H17A | 119.6 | C35B—C34B—H34B | 120.0 |
C16B—C17B—H17B | 119.9 | C30B—C35B—H35B | 120.0 |
C16B—C17B—C18B | 120.2 (5) | C34B—C35B—C30B | 120.0 |
C18B—C17B—H17B | 119.9 | C34B—C35B—H35B | 120.0 |
C16C—C17C—H17C | 119.7 | H43D—C43B—H43E | 109.5 |
C16C—C17C—C18C | 120.5 (5) | H43D—C43B—H43F | 109.5 |
C18C—C17C—H17C | 119.7 | H43E—C43B—H43F | 109.5 |
C16D—C17D—H17D | 120.4 | C44B—C43B—H43D | 109.5 |
C16D—C17D—C18D | 119.2 (5) | C44B—C43B—H43E | 109.5 |
C18D—C17D—H17D | 120.4 | C44B—C43B—H43F | 109.5 |
C17A—C18A—H18A | 119.9 | C45B—C44B—C43B | 119.4 |
C19A—C18A—C17A | 120.3 (5) | C49B—C44B—C43B | 120.5 |
C19A—C18A—H18A | 119.9 | C49B—C44B—C45B | 120.0 |
C17B—C18B—H18B | 120.0 | C44B—C45B—H45B | 120.0 |
C19B—C18B—C17B | 120.0 (5) | C46B—C45B—C44B | 120.0 |
C19B—C18B—H18B | 120.0 | C46B—C45B—H45B | 120.0 |
C17C—C18C—H18C | 119.7 | C45B—C46B—H46B | 120.0 |
C19C—C18C—C17C | 120.6 (5) | C45B—C46B—C47B | 120.0 |
C19C—C18C—H18C | 119.7 | C47B—C46B—H46B | 120.0 |
C17D—C18D—H18D | 119.8 | C46B—C47B—H47B | 120.0 |
C19D—C18D—C17D | 120.4 (5) | C48B—C47B—C46B | 120.0 |
C19D—C18D—H18D | 119.8 | C48B—C47B—H47B | 120.0 |
C18A—C19A—H19A | 119.6 | C47B—C48B—H48B | 120.0 |
C18A—C19A—C20A | 120.9 (5) | C47B—C48B—C49B | 119.9 |
C20A—C19A—H19A | 119.6 | C49B—C48B—H48B | 120.0 |
C18B—C19B—H19B | 119.0 | C44B—C49B—C48B | 120.1 |
C18B—C19B—C20B | 122.0 (5) | C44B—C49B—H49B | 120.0 |
C20B—C19B—H19B | 119.0 | C48B—C49B—H49B | 120.0 |
C18C—C19C—H19C | 119.4 | H36A—C36B—H36B | 109.5 |
C18C—C19C—C20C | 121.2 (5) | H36A—C36B—H36C | 109.5 |
C20C—C19C—H19C | 119.4 | H36B—C36B—H36C | 109.5 |
C18D—C19D—H19D | 119.3 | C37B—C36B—H36A | 109.5 |
C18D—C19D—C20D | 121.4 (5) | C37B—C36B—H36B | 109.5 |
C20D—C19D—H19D | 119.3 | C37B—C36B—H36C | 109.5 |
C7A—C20A—C15A | 120.1 (4) | C38B—C37B—C36B | 119.3 |
C7A—C20A—C19A | 121.7 (4) | C42B—C37B—C36B | 120.6 |
C19A—C20A—C15A | 118.2 (4) | C42B—C37B—C38B | 120.0 |
C7B—C20B—C15B | 120.3 (4) | C37B—C38B—H38B | 120.0 |
C7B—C20B—C19B | 122.1 (4) | C39B—C38B—C37B | 119.9 |
C19B—C20B—C15B | 117.6 (4) | C39B—C38B—H38B | 120.0 |
C7C—C20C—C15C | 120.4 (5) | C38B—C39B—H39B | 120.0 |
C7C—C20C—C19C | 121.4 (4) | C38B—C39B—C40B | 120.0 |
C15C—C20C—C19C | 118.2 (4) | C40B—C39B—H39B | 120.0 |
C7D—C20D—C15D | 120.4 (5) | C39B—C40B—H40B | 120.0 |
C7D—C20D—C19D | 121.5 (4) | C41B—C40B—C39B | 120.0 |
C15D—C20D—C19D | 118.1 (5) | C41B—C40B—H40B | 120.0 |
O5—C25—H25A | 110.5 | C40B—C41B—H41B | 120.0 |
O5—C25—H25B | 110.5 | C40B—C41B—C42B | 119.9 |
O5—C25—C26 | 106.4 (4) | C42B—C41B—H41B | 120.0 |
H25A—C25—H25B | 108.6 | C37B—C42B—C41B | 120.1 |
C26—C25—H25A | 110.5 | C37B—C42B—H42B | 120.0 |
C26—C25—H25B | 110.5 | C41B—C42B—H42B | 120.0 |
C25—C26—H26A | 110.3 | H36D—C36A—H36E | 109.5 |
C25—C26—H26B | 110.3 | H36D—C36A—H36F | 109.5 |
C25—C26—C27 | 107.1 (4) | H36E—C36A—H36F | 109.5 |
H26A—C26—H26B | 108.6 | C37A—C36A—H36D | 109.5 |
C27—C26—H26A | 110.3 | C37A—C36A—H36E | 109.5 |
C27—C26—H26B | 110.3 | C37A—C36A—H36F | 109.5 |
C26—C27—H27A | 111.0 | C38A—C37A—C36A | 119.3 |
C26—C27—H27B | 111.0 | C42A—C37A—C36A | 120.5 |
H27A—C27—H27B | 109.0 | C42A—C37A—C38A | 120.0 |
C28—C27—C26 | 103.9 (5) | C37A—C38A—H38A | 120.0 |
C28—C27—H27A | 111.0 | C39A—C38A—C37A | 119.9 |
C28—C27—H27B | 111.0 | C39A—C38A—H38A | 120.0 |
O5—C28—C27 | 103.9 (4) | C38A—C39A—H39A | 120.0 |
O5—C28—H28A | 111.0 | C38A—C39A—C40A | 120.0 |
O5—C28—H28B | 111.0 | C40A—C39A—H39A | 120.0 |
C27—C28—H28A | 111.0 | C39A—C40A—H40A | 120.0 |
C27—C28—H28B | 111.0 | C41A—C40A—C39A | 120.0 |
H28A—C28—H28B | 109.0 | C41A—C40A—H40A | 120.0 |
H43A—C43A—H43B | 109.5 | C40A—C41A—H41A | 120.0 |
H43A—C43A—H43C | 109.5 | C40A—C41A—C42A | 120.0 |
H43B—C43A—H43C | 109.5 | C42A—C41A—H41A | 120.0 |
C44A—C43A—H43A | 109.5 | C37A—C42A—C41A | 120.1 |
C44A—C43A—H43B | 109.5 | C37A—C42A—H42A | 120.0 |
C44A—C43A—H43C | 109.5 | C41A—C42A—H42A | 120.0 |
Yb1—O1—C1D—C2D | 51.1 (6) | C16A—C15A—C20A—C19A | −4.1 (6) |
Yb1—O1—C1D—C6D | −131.7 (4) | C16A—C17A—C18A—C19A | −2.4 (7) |
Yb1—O2—C1B—C2B | 46.8 (5) | C16B—C15B—C20B—C7B | −179.6 (4) |
Yb1—O2—C1B—C6B | −134.9 (4) | C16B—C15B—C20B—C19B | 1.5 (7) |
Yb1—O3—C1A—C2A | −10.8 (12) | C16B—C17B—C18B—C19B | 1.4 (8) |
Yb1—O3—C1A—C6A | 169.0 (7) | C16C—C15C—C20C—C7C | 179.3 (4) |
Yb1—O5—C25—C26 | 155.3 (4) | C16C—C15C—C20C—C19C | −0.4 (6) |
Yb1—O5—C28—C27 | −146.7 (4) | C16C—C17C—C18C—C19C | 0.7 (7) |
Yb1—O7—C1E—C2E | 80.0 (7) | C16D—C15D—C20D—C7D | −177.2 (4) |
Yb1—O7—C1E—C6E | −98.2 (6) | C16D—C15D—C20D—C19D | 3.7 (6) |
Yb1—O7—C1F—C6F | −118.8 (4) | C16D—C17D—C18D—C19D | 2.9 (8) |
Yb1—O7—C1F—C2F | 64.8 (7) | C17A—C18A—C19A—C20A | 0.4 (7) |
Yb1—O6A—C21A—C22A | 161.4 (11) | C17B—C18B—C19B—C20B | 0.2 (8) |
Yb1—O6A—C24A—C23A | −150.2 (8) | C17C—C18C—C19C—C20C | −2.3 (7) |
Yb1—O6B—C21B—C22B | 177.6 (12) | C17D—C18D—C19D—C20D | −0.5 (7) |
Yb1—O6B—C24B—C23B | 177.3 (8) | C18A—C19A—C20A—C7A | −176.6 (4) |
Yb2—O1—C1D—C2D | −72.2 (5) | C18A—C19A—C20A—C15A | 2.8 (6) |
Yb2—O1—C1D—C6D | 104.9 (4) | C18B—C19B—C20B—C7B | 179.4 (5) |
Yb2—O2—C1B—C2B | −76.0 (5) | C18B—C19B—C20B—C15B | −1.7 (7) |
Yb2—O2—C1B—C6B | 102.3 (4) | C18C—C19C—C20C—C7C | −177.6 (4) |
Yb2—O4—C1C—C2C | −40.5 (16) | C18C—C19C—C20C—C15C | 2.1 (6) |
Yb2—O4—C1C—C6C | 138.5 (12) | C18D—C19D—C20D—C7D | 178.2 (5) |
Yb2—O7—C1E—C2E | −44.8 (5) | C18D—C19D—C20D—C15D | −2.8 (7) |
Yb2—O7—C1E—C6E | 137.0 (4) | C20A—C7A—C8A—C9A | 178.3 (4) |
Yb2—O7—C1F—C6F | 131.8 (3) | C20A—C7A—C8A—C13A | −2.5 (6) |
Yb2—O7—C1F—C2F | −44.6 (6) | C20A—C15A—C16A—C17A | 2.3 (7) |
O1—C1D—C2D—C3D | 177.1 (4) | C20B—C7B—C8B—C9B | 179.4 (5) |
O1—C1D—C6D—C5D | −177.4 (4) | C20B—C7B—C8B—C13B | 0.3 (7) |
O1—C1D—C6D—C7D | 2.1 (7) | C20B—C15B—C16B—C17B | 0.1 (8) |
O2—C1B—C2B—C3B | −176.9 (4) | C20C—C7C—C8C—C9C | −176.7 (4) |
O2—C1B—C6B—C5B | 175.7 (4) | C20C—C7C—C8C—C13C | 1.5 (7) |
O2—C1B—C6B—C7B | −9.3 (7) | C20C—C15C—C16C—C17C | −1.1 (7) |
O3—C1A—C2A—C3A | 178.9 (4) | C20D—C7D—C8D—C9D | 179.1 (5) |
O3—C1A—C6A—C5A | 178.2 (4) | C20D—C7D—C8D—C13D | −0.8 (7) |
O3—C1A—C6A—C7A | −0.5 (6) | C20D—C15D—C16D—C17D | −1.4 (7) |
O4—C1C—C2C—C3C | 179.5 (5) | C25—O5—C28—C27 | 36.8 (5) |
O4—C1C—C6C—C5C | −179.3 (5) | C25—C26—C27—C28 | 14.6 (7) |
O4—C1C—C6C—C7C | 0.5 (7) | C26—C27—C28—O5 | −31.3 (6) |
O5—C25—C26—C27 | 7.5 (7) | C28—O5—C25—C26 | −27.7 (6) |
O7—C1E—C2E—C3E | −178.3 (6) | C43A—C44A—C45A—C46A | 175.6 |
O7—C1E—C6E—C5E | 178.1 (7) | C43A—C44A—C49A—C48A | −175.5 |
O7—C1E—C6E—C7E | −4.7 (6) | C44A—C45A—C46A—C47A | 0.1 |
O7—C1F—C2F—C3F | 176.3 (7) | C45A—C44A—C49A—C48A | 0.2 |
C1A—C2A—C3A—C4A | 3.0 (7) | C45A—C46A—C47A—C48A | 0.0 |
C1A—C6A—C7A—C8A | 83.9 (6) | C46A—C47A—C48A—C49A | 0.0 |
C1A—C6A—C7A—C20A | −101.7 (5) | C47A—C48A—C49A—C44A | −0.2 |
C1B—C2B—C3B—C4B | −0.7 (8) | C49A—C44A—C45A—C46A | −0.2 |
C1B—C6B—C7B—C8B | 112.4 (5) | O6A—C21A—C22A—C23A | −14.7 (16) |
C1B—C6B—C7B—C20B | −69.7 (6) | C1E—C2E—C3E—C4E | 0.0 |
C1C—C2C—C3C—C4C | −0.2 (8) | C1E—C6E—C7E—C8E | 107.6 (4) |
C1C—C6C—C7C—C8C | −114.8 (5) | C1E—C6E—C7E—C20E | −84.8 (4) |
C1C—C6C—C7C—C20C | 64.2 (6) | C2E—C1E—C6E—C5E | 0.0 |
C1D—C2D—C3D—C4D | 0.5 (8) | C2E—C1E—C6E—C7E | 177.2 (6) |
C1D—C6D—C7D—C8D | 115.4 (5) | C2E—C3E—C4E—C5E | 0.0 |
C1D—C6D—C7D—C20D | −63.9 (6) | C3E—C4E—C5E—C6E | 0.0 |
C2A—C1A—C6A—C5A | −2.0 (6) | C4E—C5E—C6E—C1E | 0.0 |
C2A—C1A—C6A—C7A | 179.3 (4) | C4E—C5E—C6E—C7E | −177.1 (6) |
C2A—C3A—C4A—C5A | −2.1 (7) | C5E—C6E—C7E—C8E | −75.2 (5) |
C2B—C1B—C6B—C5B | −6.0 (7) | C5E—C6E—C7E—C20E | 92.3 (5) |
C2B—C1B—C6B—C7B | 169.0 (4) | C6E—C1E—C2E—C3E | 0.0 |
C2B—C3B—C4B—C5B | −1.9 (8) | C6E—C7E—C8E—C9E | −8.1 (4) |
C2C—C1C—C6C—C5C | −0.4 (7) | C6E—C7E—C8E—C13E | 173.3 (4) |
C2C—C1C—C6C—C7C | 179.4 (4) | C6E—C7E—C20E—C15E | −170.8 (4) |
C2C—C3C—C4C—C5C | −0.3 (9) | C6E—C7E—C20E—C19E | 10.3 (4) |
C2D—C1D—C6D—C5D | −0.3 (7) | C7E—C8E—C9E—C10E | −175.4 |
C2D—C1D—C6D—C7D | 179.2 (4) | C7E—C8E—C13E—C12E | 175.4 |
C2D—C3D—C4D—C5D | −0.6 (8) | C7E—C8E—C13E—C14E | −5.6 |
C3A—C4A—C5A—C6A | −0.8 (7) | C16E—C15E—C20E—C7E | −179.2 |
C3B—C4B—C5B—C6B | 0.4 (9) | C16E—C15E—C20E—C19E | −0.3 |
C3C—C4C—C5C—C6C | 0.5 (9) | C16E—C17E—C18E—C19E | −3.8 |
C3D—C4D—C5D—C6D | 0.2 (8) | C8E—C7E—C20E—C15E | −3.2 |
C4A—C5A—C6A—C1A | 2.9 (6) | C8E—C7E—C20E—C19E | 177.9 |
C4A—C5A—C6A—C7A | −178.4 (4) | C8E—C9E—C10E—C11E | −0.7 |
C4B—C5B—C6B—C1B | 3.6 (8) | C8E—C13E—C14E—C15E | 3.3 |
C4B—C5B—C6B—C7B | −171.5 (5) | C9E—C8E—C13E—C12E | −3.3 |
C4C—C5C—C6C—C1C | −0.2 (8) | C9E—C8E—C13E—C14E | 175.7 |
C4C—C5C—C6C—C7C | −180.0 (5) | C9E—C10E—C11E—C12E | −1.9 |
C4D—C5D—C6D—C1D | 0.2 (7) | C10E—C11E—C12E—C13E | 1.9 |
C4D—C5D—C6D—C7D | −179.3 (5) | C11E—C12E—C13E—C8E | 0.7 |
C5A—C6A—C7A—C8A | −94.8 (5) | C11E—C12E—C13E—C14E | −178.3 |
C5A—C6A—C7A—C20A | 79.6 (5) | C12E—C13E—C14E—C15E | −177.7 |
C5B—C6B—C7B—C8B | −72.7 (7) | C13E—C8E—C9E—C10E | 3.3 |
C5B—C6B—C7B—C20B | 105.2 (5) | C13E—C14E—C15E—C16E | 179.2 |
C5C—C6C—C7C—C8C | 65.0 (6) | C13E—C14E—C15E—C20E | −0.9 |
C5C—C6C—C7C—C20C | −116.0 (5) | C14E—C15E—C20E—C7E | 0.9 |
C5D—C6D—C7D—C8D | −65.1 (6) | C14E—C15E—C20E—C19E | 179.8 |
C5D—C6D—C7D—C20D | 115.6 (5) | C15E—C16E—C17E—C18E | 4.3 |
C6A—C1A—C2A—C3A | −0.9 (6) | C17E—C16E—C15E—C14E | 177.7 |
C6A—C7A—C8A—C9A | −7.3 (7) | C17E—C16E—C15E—C20E | −2.2 |
C6A—C7A—C8A—C13A | 172.0 (4) | C17E—C18E—C19E—C20E | 1.3 |
C6A—C7A—C20A—C15A | −170.4 (4) | C18E—C19E—C20E—C7E | 179.6 |
C6A—C7A—C20A—C19A | 9.0 (6) | C18E—C19E—C20E—C15E | 0.7 |
C6B—C1B—C2B—C3B | 4.8 (7) | C20E—C7E—C8E—C9E | −175.8 |
C6B—C7B—C8B—C9B | −2.8 (7) | C20E—C7E—C8E—C13E | 5.5 |
C6B—C7B—C8B—C13B | 178.2 (4) | C21A—O6A—C24A—C23A | 11.8 (14) |
C6B—C7B—C20B—C15B | −178.7 (4) | C21A—C22A—C23A—C24A | 21.6 (14) |
C6B—C7B—C20B—C19B | 0.1 (7) | C22A—C23A—C24A—O6A | −21.8 (14) |
C6C—C1C—C2C—C3C | 0.6 (7) | C24A—O6A—C21A—C22A | 2.1 (14) |
C6C—C7C—C8C—C9C | 2.4 (7) | C29A—C30A—C31A—C32A | 175.6 |
C6C—C7C—C8C—C13C | −179.5 (4) | C29A—C30A—C35A—C34A | −175.5 |
C6C—C7C—C20C—C15C | 178.7 (4) | C30A—C31A—C32A—C33A | 0.1 |
C6C—C7C—C20C—C19C | −1.7 (6) | C31A—C30A—C35A—C34A | 0.2 |
C6D—C1D—C2D—C3D | −0.1 (7) | C31A—C32A—C33A—C34A | 0.1 |
C6D—C7D—C8D—C9D | −0.2 (7) | C32A—C33A—C34A—C35A | −0.1 |
C6D—C7D—C8D—C13D | 179.8 (4) | C33A—C34A—C35A—C30A | −0.1 |
C6D—C7D—C20D—C15D | 176.9 (4) | C35A—C30A—C31A—C32A | −0.2 |
C6D—C7D—C20D—C19D | −4.1 (7) | O6B—C21B—C22B—C23B | −21.5 (17) |
C7A—C8A—C9A—C10A | 179.4 (5) | C5F—C6F—C1F—O7 | −176.7 (7) |
C7A—C8A—C13A—C12A | 179.7 (5) | C5F—C6F—C1F—C2F | 0.0 |
C7A—C8A—C13A—C14A | 0.4 (7) | C5F—C6F—C7F—C8F | 102.9 (5) |
C7B—C8B—C9B—C10B | −178.3 (5) | C5F—C6F—C7F—C20F | −73.1 (6) |
C7B—C8B—C13B—C12B | 178.7 (5) | C6F—C5F—C4F—C3F | 0.0 |
C7B—C8B—C13B—C14B | 0.1 (7) | C6F—C1F—C2F—C3F | 0.0 |
C7C—C8C—C9C—C10C | 177.5 (5) | C6F—C7F—C8F—C9F | 1.9 (5) |
C7C—C8C—C13C—C12C | −178.1 (5) | C6F—C7F—C8F—C13F | −179.2 (5) |
C7C—C8C—C13C—C14C | 0.0 (7) | C6F—C7F—C20F—C15F | −178.6 (5) |
C7D—C8D—C9D—C10D | 179.1 (5) | C6F—C7F—C20F—C19F | 0.2 (5) |
C7D—C8D—C13D—C12D | −179.0 (5) | C1F—C6F—C7F—C8F | −73.9 (6) |
C7D—C8D—C13D—C14D | 3.0 (7) | C1F—C6F—C7F—C20F | 110.1 (5) |
C8A—C7A—C20A—C15A | 4.1 (6) | C1F—C2F—C3F—C4F | 0.0 |
C8A—C7A—C20A—C19A | −176.5 (4) | C2F—C3F—C4F—C5F | 0.0 |
C8A—C9A—C10A—C11A | 1.5 (8) | C4F—C5F—C6F—C1F | 0.0 |
C8A—C13A—C14A—C15A | 0.1 (7) | C4F—C5F—C6F—C7F | −176.9 (7) |
C8B—C7B—C20B—C15B | −0.8 (7) | C7F—C6F—C1F—O7 | 0.1 (6) |
C8B—C7B—C20B—C19B | 178.1 (4) | C7F—C6F—C1F—C2F | 176.7 (7) |
C8B—C9B—C10B—C11B | −0.7 (8) | C7F—C8F—C9F—C10F | 179.6 |
C8B—C13B—C14B—C15B | −0.1 (7) | C7F—C8F—C13F—C12F | −179.2 |
C8C—C7C—C20C—C15C | −2.3 (6) | C7F—C8F—C13F—C14F | 0.8 |
C8C—C7C—C20C—C19C | 177.4 (4) | C8F—C7F—C20F—C15F | 5.4 |
C8C—C9C—C10C—C11C | 0.7 (10) | C8F—C7F—C20F—C19F | −175.8 |
C8C—C13C—C14C—C15C | −0.7 (8) | C8F—C9F—C10F—C11F | 1.3 |
C8D—C7D—C20D—C15D | −2.5 (7) | C8F—C13F—C14F—C15F | −0.9 |
C8D—C7D—C20D—C19D | 176.5 (4) | C9F—C8F—C13F—C12F | −0.3 |
C8D—C9D—C10D—C11D | −0.8 (9) | C9F—C8F—C13F—C14F | 179.8 |
C8D—C13D—C14D—C15D | −1.8 (8) | C9F—C10F—C11F—C12F | −3.8 |
C9A—C8A—C13A—C12A | −1.0 (7) | C10F—C11F—C12F—C13F | 4.3 |
C9A—C8A—C13A—C14A | 179.7 (4) | C11F—C12F—C13F—C8F | −2.2 |
C9A—C10A—C11A—C12A | −2.1 (9) | C11F—C12F—C13F—C14F | 177.7 |
C9B—C8B—C13B—C12B | −0.4 (7) | C12F—C13F—C14F—C15F | 179.2 |
C9B—C8B—C13B—C14B | −179.0 (5) | C13F—C8F—C9F—C10F | 0.7 |
C9B—C10B—C11B—C12B | 0.2 (9) | C13F—C14F—C15F—C16F | −177.7 |
C9C—C8C—C13C—C12C | 0.2 (7) | C13F—C14F—C15F—C20F | 3.2 |
C9C—C8C—C13C—C14C | 178.2 (5) | C14F—C15F—C16F—C17F | −178.3 |
C9C—C10C—C11C—C12C | −0.1 (11) | C14F—C15F—C20F—C7F | −5.5 |
C9D—C8D—C13D—C12D | 1.0 (7) | C14F—C15F—C20F—C19F | 175.7 |
C9D—C8D—C13D—C14D | −177.0 (5) | C15F—C16F—C17F—C18F | 1.9 |
C9D—C10D—C11D—C12D | 2.6 (10) | C16F—C15F—C20F—C7F | 175.4 |
C10A—C11A—C12A—C13A | 1.1 (10) | C16F—C15F—C20F—C19F | −3.4 |
C10B—C11B—C12B—C13B | 0.2 (9) | C16F—C17F—C18F—C19F | −2.0 |
C10C—C11C—C12C—C13C | −0.5 (11) | C17F—C18F—C19F—C20F | −0.6 |
C10D—C11D—C12D—C13D | −2.6 (10) | C18F—C19F—C20F—C7F | −175.5 |
C11A—C12A—C13A—C8A | 0.5 (9) | C18F—C19F—C20F—C15F | 3.3 |
C11A—C12A—C13A—C14A | 179.7 (6) | C20F—C7F—C8F—C9F | 178.0 |
C11B—C12B—C13B—C8B | −0.1 (8) | C20F—C7F—C8F—C13F | −3.1 |
C11B—C12B—C13B—C14B | 178.5 (5) | C20F—C15F—C16F—C17F | 0.8 |
C11C—C12C—C13C—C8C | 0.4 (9) | C21B—O6B—C24B—C23B | −32.3 (14) |
C11C—C12C—C13C—C14C | −177.6 (6) | C21B—C22B—C23B—C24B | 2.5 (16) |
C11D—C12D—C13D—C8D | 0.7 (8) | C22B—C23B—C24B—O6B | 17.1 (14) |
C11D—C12D—C13D—C14D | 178.6 (6) | C24B—O6B—C21B—C22B | 32.6 (16) |
C12A—C13A—C14A—C15A | −179.2 (5) | C29B—C30B—C31B—C32B | 175.6 |
C12B—C13B—C14B—C15B | −178.6 (5) | C29B—C30B—C35B—C34B | −175.4 |
C12C—C13C—C14C—C15C | 177.3 (5) | C30B—C31B—C32B—C33B | 0.0 |
C12D—C13D—C14D—C15D | −179.8 (5) | C31B—C30B—C35B—C34B | 0.3 |
C13A—C8A—C9A—C10A | 0.1 (7) | C31B—C32B—C33B—C34B | 0.0 |
C13A—C14A—C15A—C16A | −177.4 (4) | C32B—C33B—C34B—C35B | 0.1 |
C13A—C14A—C15A—C20A | 1.5 (7) | C33B—C34B—C35B—C30B | −0.2 |
C13B—C8B—C9B—C10B | 0.8 (8) | C35B—C30B—C31B—C32B | −0.2 |
C13B—C14B—C15B—C16B | −180.0 (5) | C43B—C44B—C45B—C46B | 175.6 |
C13B—C14B—C15B—C20B | −0.4 (7) | C43B—C44B—C49B—C48B | −175.4 |
C13C—C8C—C9C—C10C | −0.8 (8) | C44B—C45B—C46B—C47B | 0.0 |
C13C—C14C—C15C—C16C | −177.7 (5) | C45B—C44B—C49B—C48B | 0.2 |
C13C—C14C—C15C—C20C | −0.1 (7) | C45B—C46B—C47B—C48B | 0.0 |
C13D—C8D—C9D—C10D | −1.0 (8) | C46B—C47B—C48B—C49B | 0.1 |
C13D—C14D—C15D—C16D | 179.4 (5) | C47B—C48B—C49B—C44B | −0.2 |
C13D—C14D—C15D—C20D | −1.4 (7) | C49B—C44B—C45B—C46B | −0.1 |
C14A—C15A—C16A—C17A | −178.8 (5) | C36B—C37B—C38B—C39B | 175.6 |
C14A—C15A—C20A—C7A | −3.6 (6) | C36B—C37B—C42B—C41B | −175.5 |
C14A—C15A—C20A—C19A | 177.0 (4) | C37B—C38B—C39B—C40B | 0.0 |
C14B—C15B—C16B—C17B | 179.7 (5) | C38B—C37B—C42B—C41B | 0.3 |
C14B—C15B—C20B—C7B | 0.8 (7) | C38B—C39B—C40B—C41B | 0.0 |
C14B—C15B—C20B—C19B | −178.1 (4) | C39B—C40B—C41B—C42B | 0.0 |
C14C—C15C—C16C—C17C | 176.5 (5) | C40B—C41B—C42B—C37B | −0.2 |
C14C—C15C—C20C—C7C | 1.6 (7) | C42B—C37B—C38B—C39B | −0.2 |
C14C—C15C—C20C—C19C | −178.1 (4) | C36A—C37A—C38A—C39A | 175.6 |
C14D—C15D—C16D—C17D | 177.7 (5) | C36A—C37A—C42A—C41A | −175.5 |
C14D—C15D—C20D—C7D | 3.6 (7) | C37A—C38A—C39A—C40A | 0.0 |
C14D—C15D—C20D—C19D | −175.5 (4) | C38A—C37A—C42A—C41A | 0.2 |
C15A—C16A—C17A—C18A | 0.9 (7) | C38A—C39A—C40A—C41A | 0.1 |
C15B—C16B—C17B—C18B | −1.6 (8) | C39A—C40A—C41A—C42A | 0.0 |
C15C—C16C—C17C—C18C | 1.0 (8) | C40A—C41A—C42A—C37A | −0.1 |
C15D—C16D—C17D—C18D | −1.9 (8) | C42A—C37A—C38A—C39A | −0.2 |
C16A—C15A—C20A—C7A | 175.3 (4) |
Acknowledgements
DJB wishes to acknowledge the preliminary investigations of Karen Button that led to this work. Funding for this research was provided by the Natural Sciences and Engineering Research Council of Canada.
References
Binda, P. L., Delbridge, E. E., Dugah, D. T., Skelton, B. W. & White, A. H. (2008). Z. Anorg. Allg. Chem. 634, 325–334. CSD CrossRef CAS Google Scholar
Bruker (2002). APEX2, SAINT and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA. Google Scholar
Deacon, G. B., Junk, P. C. & Moxey, G. J. (2009). Chem. Asian J. 4, 1717–1728. CSD CrossRef PubMed CAS Google Scholar
Delbridge, E. E., Dugah, D. T., Nelson, C. R., Skelton, B. W. & White, A. H. (2007). Dalton Trans. pp. 143–153. CSD CrossRef 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
Evans, W. J. (2000). Coord. Chem. Rev. 206–207, 263–283. 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
Hitchcock, P. B., Khvostok, A. V., Lappert, M. F. & Protchenko, A. V. (2002). J. Organomet. Chem. 647, 198–204. CSD CrossRef CAS Google Scholar
Kagan, H. B. & Namy, J. L. (1984). Handb. Chem. Phys. Rare Earths, 6, 52. Google Scholar
Sheldrick, G. M. (2008). Acta Cryst. A64, 112–122. Web of Science CrossRef CAS IUCr Journals Google Scholar
Sheldrick, G. M. (2015). Acta Cryst. C71, 3–8. Web of Science CrossRef IUCr Journals Google Scholar
Volker, L., Liebing, P., Engelhardt, F., Stein, F., Kuehling, M., Schroeder, L. & Edelmann, F. T. (2019). J. Coord. Chem. 72, 1–34. Google Scholar
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