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Journal logoCRYSTALLOGRAPHIC
COMMUNICATIONS
ISSN: 2056-9890
Volume 77| Part 5| May 2021| Pages 537-541
https://doi.org/10.1107/S2056989021003844

Crystal structure of tris­­(2-di­cyclo­hexyl­phosphino-2′,6′-dimeth­­oxy-1,1′-bi­phenyl-κP)-μ-oxoethenyl­­idene-triangulo-trigold(I) bis­­(tri­fluoro­methane­sulfon­yl)imide

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Colin T. Hartgerink,a Richard J. Staplesb and Carolyn E. Andersona*

aDepartment of Chemistry and Biochemistry, Calvin University, 1726 Knollcrest Circle SE, Grand Rapids, MI 49546, USA, and bCenter for Crystallographic Research, Department of Chemistry, Michigan State University, 578 S. Shaw Lane, East Lansing, MI 48824, USA
*Correspondence e-mail: cea3@calvin.edu

Edited by C. Schulzke, Universität Greifswald, Germany (Received 15 March 2021; accepted 9 April 2021; online 16 April 2021)

The title ketenyl­idene, [Au3(C2O)(C26H35O2P)3](C2F6NO4S2), was obtained upon exposure of [2-(di­cyclo­hexyl­phosphino)-2′,6′-dimeth­oxy-1,1′-biphen­yl]gold(I) bis­(tri­fluoro­methane­sulfon­yl)imide to acetic anhydride at elevated temperature. The ketenyl­idene bridge caps the tri-gold cluster. The title compound has provided crystals that upon analysis represent the first tri-gold ketenyl­idene with atomic distances indicative of bonding inter­action between the gold atoms.

CCDC reference: 2070092

Similar articles

1. Chemical context

Metal clusters containing ketenylidenes are of inter­est for their wide range of applications. For instance, ketenylidenes are useful for facilitating C—C bond formation and cleavage (Went et al., 1987[Went, M. J., Sailor, M. J., Bogdan, P. L., Brock, C. P. & Shriver, D. F. (1987). J. Am. Chem. Soc. 109, 6023-6029.]), metal cluster building (Sailor & Shriver, 1985[Sailor, M. J. & Shriver, D. F. (1985). Organometallics, 4, 1476-1478.]), and as potential inter­mediates for carbon monoxide chemistry (Jensen & Shriver, 1992[Jensen, M. P. & Shriver, D. F. (1992). J. Mol. Catal. 74, 73-84.]). One of the first transition-metal ketenyl­idene complexes described was a tricobalt cluster reported by Seyferth et al. in 1974 (Seyferth et al., 1974[Seyferth, D., Hallgren, J. E. & Eschbach, C. S. (1974). J. Am. Chem. Soc. 96, 1730-1737.]). Since then, the scope of ketenyl­idene clusters has been expanded to include metals such as osmium (Went et al., 1987[Went, M. J., Sailor, M. J., Bogdan, P. L., Brock, C. P. & Shriver, D. F. (1987). J. Am. Chem. Soc. 109, 6023-6029.]), ruthenium (Sailor & Shriver, 1985[Sailor, M. J. & Shriver, D. F. (1985). Organometallics, 4, 1476-1478.]), molybdenum (Ramalakshmi et al., 2015[Ramalakshmi, R., Mondal, B., Bhattacharyya, M., Varghese, B. & Ghosh, S. (2015). J. Organomet. Chem. 798, 106-111.]), and manganese (Crespi & Shriver, 1986[Crespi, A. M. & Shriver, D. F. (1986). Organometallics, 5, 1750-1752.]) to name a few.

However, relatively few ketenylidenes involving gold have been reported. Work by Green and co-workers uncovered a surface-bound gold ketenyl­idene [Au2CCO], which serves as a reactive inter­mediate in the aerobic oxidation of acetic acid on Au/TiO2 surfaces (Green et al., 2012[Green, I. X., Tang, W., Neurock, M. & Yates, J. T. (2012). J. Am. Chem. Soc. 134, 13569-13572.]). More recently, Daugherty and co-workers reported the first instance of a tri-gold ketenyl­idene (Daugherty et al., 2017[Daugherty, N. T., Bacsa, J. & Sadighi, J. P. (2017). Organometallics, 36, 3171-3174.]). In that case, the Au⋯Au distances suggest that there is no bonding inter­action between the metal atoms.

Herein, we describe the first crystal structure analysis of a tri-gold ketenyl­idene in which the atomic distances suggest a bonding inter­action between the gold atoms

2. Structural commentary

The mol­ecular structure of the title compound is shown in Fig. 1[link]. Four mol­ecules are present in the unit cell (Z = 4) and there is one component in the asymmetric unit. The title compound consists of three mol­ecules of (2-di­cyclo­hexyl­phosphino-2′,6′-dimeth­oxy-1,1′-biphen­yl)gold(I) bis­(tri­fluoro­methane­sulfon­yl)imide capped by a ketenyl­idene unit (C=C=O) to form a tri-gold cluster. The tri-gold cluster has an overall charge of +1, with tri­fluoro­methane­sulfonyl­imide serving as the counter-ion. As shown in Fig. 1[link], the ketenyl­idene atoms (C=C=O) form an angle of 88.1 (5)° with the mean Au1—Au2—Au3 gold plane.

[Scheme 1]
[Figure 1]
Figure 1
The mol­ecular structure of the title compound with select atom labeling. Displacement ellipsoids are drawn at the 50% probability level. Hydrogen atoms are omitted for clarity reasons.

The Au—Au bond distances suggest aurophilic inter­action (Schmidbaur & Schier, 2012[Schmidbaur, H. & Schier, A. (2012). Chem. Soc. Rev. 41, 370-412.]). The shortest Au—Au bond length is 3.1910 (5) Å (Au1-Au3), which is significantly shorter than the sum of two van der Waals radii (Bondi, 1964[Bondi, A. (1964). J. Phys. Chem. 68, 441-451.]). The Au2—Au3 bond length of 3.2101 (5) Å also indicates a significant Au—Au inter­action, although the complex is not entirely symmetrical, with the Au1—Au2 bond length measuring 3.3005 (5) Å. Other bond lengths within the cluster are more highly conserved within each subunit of the trimeric structure [e.g. Au—C1 distances: 2.090 (7) to 2.098 (7) Å; Au—P distances: 2.273 (2) to 2.281 (2) Å].

3. Supra­molecular features

In the crystal structure of the title compound, the discrete complexes are arranged into columns along the b axis (Fig. 2[link]). Within these columns, the ketenyl­idene atoms alternate between the +a and −a-axis directions. The only other similar cluster with Au was reported by Daugherty and co-workers (Daugherty et al., 2017[Daugherty, N. T., Bacsa, J. & Sadighi, J. P. (2017). Organometallics, 36, 3171-3174.]), and it does not show this alternating arrangement. However, in this earlier case, the Au atoms are all bonded to the carbon of N-heterocyclic carbene ligands, rather than to phosphines. As such, the title compound is the first trimetallic ketenyl­idene cluster of any metal that involves the metal bound to only phosphine and the ketenylidiene bridge, rather than the more common C=O ligand found in most trimetallic metal complexes in the CSD.

[Figure 2]
Figure 2
Packing diagram of the title compound along the b axis.

4. Database survey

The Cambridge Structural Database (CSD, Version 5.42, February 2021; Groom et al., 2016[Groom, C. R., Bruno, I. J., Lightfoot, M. P. & Ward, S. C. (2016). Acta Cryst. B72, 171-179.]) contains 12 unique structures of ketenyl­idene-bridged metal clusters. Of these, ten contain clusters of three metal atoms, including: all iron (CAXVAY, Kolis et al., 1983[Kolis, J. W., Holt, E. M. & Shriver, D. F. (1983). J. Am. Chem. Soc. 105, 7307-7313.]; GEFPIQ, Bogdan et al., 1988[Bogdan, P. L., Sabat, M., Sunshine, S. A., Woodcock, C. & Shriver, D. F. (1988). Inorg. Chem. 27, 1904-1910.]), all ruthenium (DELSAO, Sailor & Shriver, 1985[Sailor, M. J. & Shriver, D. F. (1985). Organometallics, 4, 1476-1478.]; FONWAG, Sailor et al., 1987[Sailor, M. J., Brock, C. P. & Shriver, D. F. (1987). J. Am. Chem. Soc. 109, 6015-6022.]), all osmium (FONYEM, Went et al., 1987[Went, M. J., Sailor, M. J., Bogdan, P. L., Brock, C. P. & Shriver, D. F. (1987). J. Am. Chem. Soc. 109, 6023-6029.]), and all gold(I) (LEBFOQ, Daugherty et al., 2017[Daugherty, N. T., Bacsa, J. & Sadighi, J. P. (2017). Organometallics, 36, 3171-3174.]) and various combinations of iron, cobalt, manganese, molybdenum, and ruthenium (DUHDIT, Crespi & Shriver, 1986[Crespi, A. M. & Shriver, D. F. (1986). Organometallics, 5, 1750-1752.] and Crespi et al., 1988[Crespi, A. M., Went, M. J., Sunshine, S. S. & Shriver, D. F. (1988). Organometallics, 7, 214-218.]; GAHBIA, Ching et al., 1988[Ching, S., Holt, E. M., Kolis, J. W. & Shriver, D. F. (1988). Organometallics, 7, 892-898.]; HUQBIG, Ramalakshmi et al., 2015[Ramalakshmi, R., Mondal, B., Bhattacharyya, M., Varghese, B. & Ghosh, S. (2015). J. Organomet. Chem. 798, 106-111.]; KALVAU, Ching et al., 1989[Ching, S., Sabat, M. & Shriver, D. F. (1989). Organometallics, 8, 1047-1058.]). Two additional structures of this type with central clusters of four metal atoms, either three ruthenium and one copper (PAJWOM, Gunale et al., 1992[Gunale, A. S., Jensen, M. P., Phillips, D. A., Stern, C. L. & Shriver, D. F. (1992). Inorg. Chem. 31, 2622-2626.]) or three iron and one copper (KINFOC10, Gunale et al., 1992[Gunale, A. S., Jensen, M. P., Phillips, D. A., Stern, C. L. & Shriver, D. F. (1992). Inorg. Chem. 31, 2622-2626.]) have also been reported. Within this group, only one 2Fe/1Co cluster bears a phosphine ligand (KALVAU, Ching et al., 1989[Ching, S., Sabat, M. & Shriver, D. F. (1989). Organometallics, 8, 1047-1058.]) similar to the reported title compound; however, even in this case, the reported cluster is much simpler than the title compound, as all of the remaining positions are occupied by CO.

The only other known all gold(I) cluster (LEBFOQ, Daugherty et al., 2017[Daugherty, N. T., Bacsa, J. & Sadighi, J. P. (2017). Organometallics, 36, 3171-3174.]) differs from both the reported title compound as well as the other structures in the CSD, as it bears N-heterocyclic carbene ligands attached to gold, rather than either phosphines or carbon monoxide ligands. Additionally, the gold(I) atoms in this previously reported cluster were too far apart from each other to have any metal–metal bonding inter­action.

Thus, the reported ketenyl­idene cluster differs from similar compounds in the CSD in both the title cluster's unique phosphine ligands and the short Au—Au bonding inter­actions.

5. Synthesis and crystallization

The title compound was observed during scope studies related to the gold(I)-catalyzed synthesis of tris­ubstituted indolizine 2 from 2-propargyloxypyridine 1 (Rossler et al., 2019[Rossler, M. D., Hartgerink, C. T., Zerull, E. E., Boss, B. L., Frndak, A. K., Mason, M. M., Nickerson, L. A., Romero, E. O., Van de Burg, J. E., Staples, R. J. & Anderson, C. E. (2019). Org. Lett. 21, 5591-5595.]). While initial studies had shown that treatment of pyridine 1 with methyl ketones in the presence of alcohols and (2-di­cyclo­hexyl­phosphino-2′,6′-dimeth­oxy-1,1′-biphen­yl)gold(I) bis­(tri­fluoro­methane-sulfon­yl)imide could provide tris­ubstituted indolizines 2 in moderate to good yields, when the methyl ketone was replaced with acetic anhydride, an unknown organic product and the title ketenyl­idene cluster 3 were observed (Fig. 3[link]). In an attempt to determine the organic product of the reaction, crystals were grown by the slow evaporation of a concentrated ethanol solution over several weeks at room temperature. Using this method, a few tiny yellow needle-shaped crystals, suitable for X-ray diffraction, were obtained and analyzed. However, rather than revealing the structure of the organic product as expected, the X-ray structure revealed the title ketenyl­idene-bridged tri-gold cluster 3. Subsequent studies aimed at the independent synthesis of cluster 3 and related species stoichiometrically were unsuccessful.

[Figure 3]
Figure 3
Reaction scheme. The title ketenyl­idene 3 was discovered as an unexpected by-product of a reaction exploring the gold(I)-catalyzed rearrangement of 2-propargyloxypyridine 1.

6. Refinement

Crystal data, data collection, and refinement details are collected in Table 1[link]. All non-hydrogen atoms were refined anisotropically. Hydrogen-atom positions were calculated geometrically (C—H = 0.95–1.00 Å) and refined using a riding model with Uiso(H) = 1.2Ueq(C) or 1.5Ueq(C-meth­yl).

Table 1
Experimental details

Crystal data
Chemical formula [Au3(C2O)(C26H35O2P)3](C2F6NO4S2)
Mr 2142.59
Crystal system, space group Monoclinic, P21/n
Temperature (K) 173
a, b, c (Å) 24.0018 (3), 12.4867 (1), 28.4299 (3)
β (°) 103.7669 (8)
V (Å3) 8275.75 (15)
Z 4
Radiation type Cu Kα
μ (mm−1) 11.42
Crystal size (mm) 0.2 × 0.05 × 0.03
 
Data collection
Diffractometer Bruker APEXII CCD
Absorption correction Multi-scan (SADABS; Bruker, 2013[Bruker (2013). APEX2, SAINT and SADABS. Bruker AXS Inc. Madison, Wisconsin, USA.])
Tmin, Tmax 0.321, 0.735
No. of measured, independent and observed [I > 2σ(I)] reflections 73587, 15716, 11064
Rint 0.110
(sin θ/λ)max (Å−1) 0.610
 
Refinement
R[F2 > 2σ(F2)], wR(F2), S 0.048, 0.120, 1.01
No. of reflections 15716
No. of parameters 979
H-atom treatment H-atom parameters constrained
Δρmax, Δρmin (e Å−3) 1.77, −0.95
Computer programs: COSMO and SAINT (Bruker, 2013[Bruker (2013). APEX2, SAINT and SADABS. Bruker AXS Inc. Madison, Wisconsin, USA.]), SHELXT (Sheldrick, 2015a[Sheldrick, G. M. (2015a). Acta Cryst. A71, 3-8.]), SHELXL2018/3 (Sheldrick, 2015b[Sheldrick, G. M. (2015b). Acta Cryst. C71, 3-8.]) and OLEX2 (Dolomanov et al., 2009[Dolomanov, O. V., Bourhis, L. J., Gildea, R. J., Howard, J. A. K. & Puschmann, H. (2009). J. Appl. Cryst. 42, 339-341.]).

Supporting information

CCDC reference: 2070092

Crystal structure: contains datablock I. DOI: https://doi.org/10.1107/S2056989021003844/yz2006sup1.cif

Structure factors: contains datablock I. DOI: https://doi.org/10.1107/S2056989021003844/yz2006Isup2.hkl

Supporting information file. DOI: https://doi.org/10.1107/S2056989021003844/yz2006Isup3.cml

checkCIF report


Computing details top

Data collection: COSMO (Bruker, 2013); cell refinement: SAINT (Bruker, 2013); data reduction: SAINT (Bruker, 2013); program(s) used to solve structure: SHELXT (Sheldrick, 2015a); program(s) used to refine structure: SHELXL2018/3 (Sheldrick, 2015b); molecular graphics: Olex2 (Dolomanov et al., 2009); software used to prepare material for publication: Olex2 (Dolomanov et al., 2009).

Tris(2-dicyclohexylphosphino-2',6'-dimethoxy-1,1'-biphenyl-κP)-µ-oxoethenylidene-triangulo-trigold(I) bis(trifluoromethanesulfonyl)imide top
Crystal data top
[Au3(C2O)(C26H35O2P)3](C2F6NO4S2)F(000) = 4240
Mr = 2142.59Dx = 1.720 Mg m−3
Monoclinic, P21/nCu Kα radiation, λ = 1.54178 Å
a = 24.0018 (3) ÅCell parameters from 9988 reflections
b = 12.4867 (1) Åθ = 2.2–70.1°
c = 28.4299 (3) ŵ = 11.42 mm−1
β = 103.7669 (8)°T = 173 K
V = 8275.75 (15) Å3Needle, yellow
Z = 40.2 × 0.05 × 0.03 mm
Data collection top
Bruker APEXII CCD
diffractometer		15716 independent reflections
Radiation source: sealed tube11064 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.110
Detector resolution: 8.36 pixels mm-1θmax = 70.1°, θmin = 2.2°
ω and φ scansh = −29→28
Absorption correction: multi-scan
(SADABS; Bruker, 2013)		k = −15→15
Tmin = 0.321, Tmax = 0.735l = −34→34
73587 measured reflections
Refinement top
Refinement on F2Primary atom site location: dual
Least-squares matrix: fullHydrogen site location: inferred from neighbouring sites
R[F2 > 2σ(F2)] = 0.048H-atom parameters constrained
wR(F2) = 0.120 w = 1/[σ2(Fo2) + (0.0447P)2 + 20.5744P]
where P = (Fo2 + 2Fc2)/3
S = 1.01(Δ/σ)max = 0.001
15716 reflectionsΔρmax = 1.77 e Å−3
979 parametersΔρmin = −0.95 e Å−3
0 restraints
Special details top

Experimental. Data was collected using a BRUKER CCD (charge coupled device) based diffractometer equipped with an Oxford low-temperature apparatus operating at 173 K. A suitable crystal was chosen and mounted on a nylon loop using Paratone oil. Data were measured using omega scans of 0.5° per frame for 30 s. The total number of images were based on results from the program COSMO where redundancy was expected to be 4 and completeness to 0.83Å to 100%. Cell parameters were retrieved using APEX II software and refined using SAINT on all observed reflections.Data reduction was performed using the SAINT software which corrects for Lp. Scaling and absorption corrections were applied using SADABS6 multi-scan technique, supplied by George Sheldrick. The structure was solved by the direct method using the SHELXT program and refined by least squares method on F2, SHELXL, incorporated in OLEX2.

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. The structure was refined by Least Squares using version 2014/6 of XL (Sheldrick, 2008) incorporated in Olex2 (Dolomanov et al., 2009). All non-hydrogen atoms were refined anisotropically. Hydrogen atom positions were calculated geometrically and refined using the riding model.'

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
Au10.53937 (2)0.36171 (3)0.21151 (2)0.03027 (9)
Au20.54502 (2)0.30927 (3)0.32634 (2)0.03393 (9)
Au30.44934 (2)0.20237 (3)0.24086 (2)0.03374 (9)
P10.59759 (9)0.34972 (16)0.15898 (8)0.0314 (4)
P20.61858 (10)0.26651 (18)0.39059 (8)0.0368 (5)
P30.41808 (10)0.03219 (17)0.22248 (8)0.0364 (5)
O10.4258 (3)0.5067 (5)0.2643 (2)0.0507 (16)
O20.5926 (3)0.6146 (5)0.2136 (2)0.0412 (14)
O30.4780 (3)0.5587 (5)0.0590 (2)0.0425 (14)
O40.4879 (4)0.2011 (9)0.4500 (5)0.118 (4)
O50.5453 (4)0.5423 (6)0.4146 (3)0.071 (2)
O60.2659 (3)0.1195 (5)0.2662 (2)0.0518 (17)
O70.3411 (3)0.2431 (6)0.1389 (3)0.0555 (18)
C10.4875 (3)0.3511 (6)0.2611 (3)0.0274 (16)
C20.4552 (4)0.4319 (7)0.2631 (3)0.038 (2)
C30.6180 (4)0.4679 (6)0.1282 (3)0.0336 (18)
C40.6653 (4)0.4587 (7)0.1086 (3)0.0367 (19)
H40.6880340.3957500.1150900.044*
C50.6808 (4)0.5367 (7)0.0801 (3)0.043 (2)
H50.7138970.5277770.0675950.052*
C60.6482 (4)0.6270 (8)0.0698 (3)0.043 (2)
H60.6578380.6806550.0494660.052*
C70.6006 (4)0.6402 (7)0.0894 (3)0.040 (2)
H70.5787030.7041800.0828930.048*
C80.5845 (3)0.5616 (6)0.1184 (3)0.0330 (18)
C90.5331 (3)0.5833 (6)0.1374 (3)0.0340 (18)
C100.5377 (4)0.6131 (6)0.1857 (3)0.0339 (18)
C110.4892 (4)0.6375 (7)0.2022 (3)0.043 (2)
H110.4923730.6556340.2351950.052*
C120.4365 (4)0.6351 (7)0.1700 (4)0.046 (2)
H120.4033310.6522510.1811560.055*
C130.4304 (4)0.6090 (7)0.1224 (4)0.044 (2)
H130.3935270.6079290.1007910.053*
C140.4790 (4)0.5838 (6)0.1060 (3)0.0366 (19)
C150.6001 (5)0.6310 (8)0.2644 (4)0.058 (3)
H15A0.5845120.7011330.2700780.087*
H15B0.6410060.6283630.2803730.087*
H15C0.5797680.5747880.2777350.087*
C160.4226 (4)0.5417 (9)0.0267 (4)0.056 (3)
H16A0.4275670.514674−0.0043800.083*
H16B0.4014830.6095790.0215840.083*
H16C0.4009990.4893500.0409800.083*
C170.5643 (4)0.2573 (7)0.1096 (3)0.0347 (18)
H170.5547790.1903240.1253650.042*
C180.6013 (4)0.2237 (7)0.0751 (3)0.044 (2)
H18A0.6117490.2877510.0585300.053*
H18B0.6371620.1902200.0937690.053*
C190.5692 (5)0.1446 (8)0.0374 (4)0.057 (3)
H19A0.5931810.1269780.0145420.068*
H19B0.5624250.0775650.0538080.068*
C200.5121 (5)0.1897 (9)0.0094 (4)0.057 (3)
H20A0.5192050.251229−0.0103380.068*
H20B0.4914620.134176−0.0130010.068*
C210.4745 (5)0.2260 (9)0.0425 (4)0.057 (3)
H21A0.4621370.1628990.0585360.069*
H21B0.4397270.2617230.0230960.069*
C220.5074 (4)0.3038 (7)0.0810 (4)0.044 (2)
H22A0.5149780.3708380.0650360.053*
H22B0.4832600.3218550.1037090.053*
C230.6663 (4)0.2883 (6)0.1892 (3)0.0347 (18)
H230.6872370.2687770.1639140.042*
C240.6562 (4)0.1845 (6)0.2160 (3)0.041 (2)
H24A0.6361340.2022980.2416890.049*
H24B0.6315520.1348610.1929230.049*
C250.7139 (4)0.1300 (7)0.2387 (4)0.046 (2)
H25A0.7069690.0656210.2568440.056*
H25B0.7321800.1066490.2126920.056*
C260.7544 (4)0.2061 (8)0.2731 (3)0.043 (2)
H26A0.7387860.2208740.3016450.052*
H26B0.7922760.1713290.2845250.052*
C270.7619 (4)0.3117 (8)0.2480 (4)0.048 (2)
H27A0.7853330.3612750.2719200.058*
H27B0.7826790.2980930.2224200.058*
C280.7043 (4)0.3639 (7)0.2255 (3)0.0383 (19)
H28A0.7107300.4308730.2089020.046*
H28B0.6847170.3826700.2513650.046*
C290.6169 (4)0.3013 (7)0.4529 (3)0.040 (2)
C300.6664 (4)0.2764 (8)0.4899 (4)0.051 (2)
H300.6963620.2355420.4821780.061*
C310.6715 (5)0.3106 (9)0.5367 (4)0.058 (3)
H310.7046420.2931090.5612680.069*
C320.6277 (5)0.3712 (9)0.5478 (4)0.060 (3)
H320.6313250.3976850.5797370.072*
C330.5792 (5)0.3923 (8)0.5125 (4)0.058 (3)
H330.5494510.4331810.5206030.069*
C340.5723 (4)0.3561 (8)0.4655 (4)0.049 (2)
C350.5158 (4)0.3740 (9)0.4305 (4)0.052 (3)
C360.4742 (5)0.2971 (11)0.4246 (5)0.071 (3)
C370.4210 (6)0.3079 (13)0.3935 (6)0.090 (5)
H370.3933160.2521990.3891930.108*
C380.4098 (5)0.4049 (13)0.3686 (5)0.082 (4)
H380.3735980.4149860.3465430.098*
C390.4489 (5)0.4852 (10)0.3748 (4)0.061 (3)
H390.4401220.5510580.3579200.073*
C400.5020 (4)0.4694 (10)0.4064 (4)0.058 (3)
C410.4611 (9)0.1637 (19)0.4802 (8)0.178 (11)
H41A0.4543690.0869150.4743410.268*
H41B0.4242640.2007100.4761180.268*
H41C0.4841210.1747860.5132420.268*
C420.5349 (7)0.6405 (12)0.3875 (6)0.106 (5)
H42A0.5318180.6255310.3531360.160*
H42B0.5667780.6902170.3993980.160*
H42C0.4991260.6727680.3915070.160*
C430.6354 (4)0.1216 (7)0.3930 (4)0.043 (2)
H430.6694340.1082340.4204260.052*
C440.5838 (4)0.0590 (7)0.4024 (4)0.045 (2)
H44A0.5758970.0829880.4333120.054*
H44B0.5494560.0741850.3761230.054*
C450.5956 (5)−0.0607 (8)0.4046 (4)0.053 (3)
H45A0.628158−0.0763790.4323970.064*
H45B0.561465−0.0991160.4098580.064*
C460.6095 (5)−0.1007 (7)0.3584 (4)0.059 (3)
H46A0.575521−0.0920070.3310020.070*
H46B0.619145−0.1778920.3616200.070*
C470.6599 (5)−0.0383 (7)0.3481 (4)0.055 (3)
H47A0.667039−0.0627360.3169400.066*
H47B0.694749−0.0538230.3738610.066*
C480.6493 (5)0.0829 (7)0.3458 (4)0.048 (2)
H48A0.6169080.0999170.3180280.057*
H48B0.6838280.1204600.3409210.057*
C490.6807 (4)0.3412 (7)0.3790 (3)0.042 (2)
H490.6818780.3240400.3448940.051*
C500.7410 (4)0.3146 (8)0.4104 (4)0.052 (2)
H50A0.7432470.3340520.4445340.062*
H50B0.7483180.2367710.4089440.062*
C510.7866 (4)0.3773 (9)0.3916 (5)0.061 (3)
H51A0.8251190.3613990.4123260.073*
H51B0.7860350.3538510.3582550.073*
C520.7760 (4)0.4959 (8)0.3918 (4)0.055 (3)
H52A0.8046070.5336850.3778950.066*
H52B0.7806260.5208440.4255890.066*
C530.7158 (4)0.5233 (8)0.3625 (4)0.056 (3)
H53A0.7129160.5065970.3279950.067*
H53B0.7091090.6010500.3651620.067*
C540.6692 (4)0.4610 (7)0.3799 (4)0.049 (2)
H54A0.6689760.4834120.4132880.059*
H54B0.6311270.4773760.3586650.059*
C550.3468 (4)0.0062 (7)0.1833 (3)0.0379 (19)
C560.3376 (4)−0.0890 (7)0.1569 (3)0.043 (2)
H560.368843−0.1369410.1588740.051*
C570.2845 (4)−0.1157 (8)0.1280 (4)0.048 (2)
H570.279522−0.1803230.1098430.058*
C580.2396 (4)−0.0482 (8)0.1260 (4)0.052 (3)
H580.202989−0.0653190.1061630.062*
C590.2471 (4)0.0462 (9)0.1531 (4)0.051 (2)
H590.2149420.0909740.1522730.061*
C600.2999 (4)0.0761 (7)0.1808 (3)0.038 (2)
C610.3043 (4)0.1850 (7)0.2036 (3)0.040 (2)
C620.2853 (4)0.2068 (7)0.2452 (3)0.041 (2)
C630.2845 (4)0.3103 (8)0.2625 (4)0.052 (2)
H630.2701720.3248000.2902860.063*
C640.3049 (4)0.3914 (8)0.2387 (4)0.050 (2)
H640.3057090.4622040.2510040.060*
C650.3242 (4)0.3736 (7)0.1976 (4)0.051 (2)
H650.3374910.4313940.1815200.061*
C660.3239 (4)0.2710 (7)0.1802 (4)0.044 (2)
C670.2525 (6)0.1374 (10)0.3121 (4)0.070 (3)
H67A0.2186380.1837150.3075960.105*
H67B0.2850730.1720650.3341610.105*
H67C0.2444730.0687210.3257830.105*
C680.3657 (5)0.3256 (9)0.1159 (4)0.068 (3)
H68A0.3763320.2965030.0872300.102*
H68B0.3999090.3537220.1384780.102*
H68C0.3376920.3833960.1060790.102*
C690.4678 (4)−0.0396 (7)0.1926 (3)0.041 (2)
H690.458485−0.1176450.1921140.049*
C700.5302 (4)−0.0252 (8)0.2206 (4)0.056 (3)
H70A0.534730−0.0494120.2544290.067*
H70B0.5408540.0514370.2210690.067*
C710.5697 (4)−0.0910 (8)0.1962 (5)0.071 (4)
H71A0.610169−0.0775090.2131110.085*
H71B0.561906−0.1682180.1993650.085*
C720.5613 (5)−0.0634 (8)0.1429 (5)0.071 (4)
H72A0.5762720.0095360.1400590.085*
H72B0.583877−0.1139600.1280110.085*
C730.4995 (5)−0.0681 (9)0.1153 (5)0.069 (4)
H73A0.486483−0.1435180.1125940.083*
H73B0.496094−0.0400980.0821540.083*
C740.4611 (4)−0.0027 (7)0.1402 (3)0.048 (2)
H74A0.420620−0.0109430.1222420.057*
H74B0.4713630.0740010.1397740.057*
C750.4208 (5)−0.0479 (9)0.2776 (4)0.057 (3)
H750.462643−0.0618470.2909210.069*
C760.3946 (6)−0.1572 (8)0.2695 (4)0.061 (3)
H76A0.413062−0.1967180.2470870.073*
H76B0.353463−0.1493910.2534360.073*
C770.3998 (8)−0.2226 (10)0.3145 (5)0.100 (5)
H77A0.375486−0.2872930.3066630.120*
H77B0.440066−0.2464040.3262900.120*
C780.3830 (9)−0.1643 (11)0.3516 (6)0.131 (8)
H78A0.391791−0.2082000.3814190.157*
H78B0.340910−0.1543610.3420310.157*
C790.4115 (8)−0.0526 (13)0.3637 (5)0.105 (6)
H79A0.393233−0.0135700.3863340.126*
H79B0.452864−0.0608590.3790260.126*
C800.4034 (10)0.0097 (10)0.3158 (5)0.127 (8)
H80A0.3624590.0292140.3044210.152*
H80B0.4257220.0770680.3221310.152*
S1A0.24408 (13)0.2219 (2)0.52100 (11)0.0607 (7)
S2A0.24474 (12)0.0341 (3)0.46694 (11)0.0639 (7)
F1A0.3480 (4)0.2976 (7)0.5371 (3)0.112 (3)
F2A0.2805 (5)0.4110 (6)0.5073 (3)0.110 (3)
F3A0.3042 (3)0.2920 (6)0.4621 (3)0.086 (2)
F4A0.3499 (3)−0.0314 (6)0.4807 (3)0.081 (2)
F5A0.2957 (4)−0.0660 (7)0.4113 (3)0.092 (2)
F6A0.3264 (4)0.0971 (6)0.4288 (3)0.095 (3)
O1A0.1904 (4)0.2535 (8)0.4885 (4)0.096 (3)
O2A0.2535 (5)0.2361 (7)0.5724 (3)0.092 (3)
O3A0.2090 (4)0.0861 (8)0.4249 (3)0.086 (3)
O4A0.2313 (4)−0.0722 (7)0.4819 (3)0.085 (3)
N1A0.2676 (4)0.1084 (7)0.5117 (4)0.065 (3)
C1A0.2971 (6)0.3084 (10)0.5070 (5)0.068 (3)
C2A0.3075 (6)0.0072 (11)0.4477 (4)0.073 (4)
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Au10.03350 (16)0.02516 (16)0.03426 (18)0.00089 (14)0.01226 (13)−0.00147 (14)
Au20.03692 (18)0.03095 (17)0.0360 (2)0.00151 (15)0.01285 (14)−0.00129 (14)
Au30.03603 (18)0.02896 (17)0.0372 (2)0.00002 (14)0.01056 (14)−0.00228 (14)
P10.0365 (10)0.0263 (9)0.0337 (11)0.0014 (9)0.0129 (9)−0.0010 (8)
P20.0391 (11)0.0341 (11)0.0385 (12)0.0042 (9)0.0117 (9)0.0010 (9)
P30.0416 (12)0.0316 (10)0.0361 (12)−0.0012 (9)0.0095 (9)0.0005 (9)
O10.057 (4)0.045 (4)0.053 (4)0.007 (3)0.017 (3)0.001 (3)
O20.045 (3)0.041 (3)0.037 (3)0.000 (3)0.006 (3)−0.005 (3)
O30.043 (3)0.045 (3)0.038 (4)0.001 (3)0.005 (3)0.001 (3)
O40.074 (7)0.098 (8)0.201 (13)−0.002 (6)0.070 (8)0.033 (8)
O50.078 (6)0.059 (5)0.070 (5)0.008 (4)0.006 (4)0.012 (4)
O60.064 (4)0.052 (4)0.046 (4)−0.008 (3)0.025 (3)−0.006 (3)
O70.061 (4)0.056 (4)0.057 (4)0.002 (4)0.028 (4)0.008 (4)
C10.027 (4)0.028 (4)0.025 (4)−0.002 (3)0.004 (3)0.000 (3)
C20.040 (5)0.035 (5)0.043 (5)−0.003 (4)0.017 (4)0.001 (4)
C30.041 (5)0.027 (4)0.033 (5)−0.003 (4)0.009 (4)0.000 (3)
C40.039 (5)0.031 (4)0.041 (5)0.002 (4)0.011 (4)−0.001 (4)
C50.043 (5)0.045 (5)0.045 (5)−0.011 (4)0.017 (4)0.000 (4)
C60.044 (5)0.048 (5)0.040 (5)−0.010 (4)0.013 (4)0.003 (4)
C70.048 (5)0.028 (4)0.041 (5)−0.003 (4)0.005 (4)−0.006 (4)
C80.035 (4)0.030 (4)0.032 (4)−0.004 (3)0.005 (3)−0.007 (3)
C90.033 (4)0.028 (4)0.043 (5)0.005 (3)0.013 (4)0.005 (4)
C100.044 (5)0.018 (4)0.042 (5)0.002 (3)0.013 (4)0.002 (3)
C110.058 (6)0.029 (4)0.045 (5)0.008 (4)0.018 (4)0.005 (4)
C120.046 (5)0.032 (4)0.069 (7)0.009 (4)0.030 (5)0.000 (4)
C130.034 (5)0.038 (5)0.059 (6)0.003 (4)0.006 (4)0.001 (4)
C140.040 (5)0.028 (4)0.040 (5)−0.002 (4)0.006 (4)0.001 (4)
C150.074 (7)0.050 (6)0.048 (6)−0.006 (6)0.009 (5)−0.009 (5)
C160.051 (6)0.062 (6)0.050 (6)−0.004 (5)0.006 (5)0.001 (5)
C170.044 (5)0.029 (4)0.035 (5)−0.005 (4)0.017 (4)−0.003 (4)
C180.060 (6)0.040 (5)0.039 (5)0.004 (4)0.023 (4)−0.002 (4)
C190.081 (8)0.047 (6)0.047 (6)−0.005 (6)0.025 (5)−0.018 (5)
C200.066 (7)0.055 (6)0.049 (6)−0.009 (6)0.012 (5)−0.013 (5)
C210.055 (6)0.068 (7)0.047 (6)−0.004 (5)0.010 (5)−0.008 (5)
C220.037 (5)0.044 (5)0.052 (6)0.000 (4)0.011 (4)−0.006 (4)
C230.037 (4)0.027 (4)0.044 (5)0.000 (4)0.018 (4)0.002 (4)
C240.055 (5)0.026 (4)0.042 (5)−0.006 (4)0.011 (4)−0.002 (4)
C250.045 (5)0.041 (5)0.055 (6)0.011 (4)0.016 (4)0.004 (4)
C260.036 (5)0.054 (5)0.041 (5)0.006 (4)0.013 (4)0.001 (4)
C270.036 (5)0.054 (6)0.052 (6)0.001 (4)0.008 (4)0.009 (5)
C280.040 (5)0.033 (4)0.039 (5)0.001 (4)0.005 (4)0.007 (4)
C290.045 (5)0.046 (5)0.031 (5)−0.001 (4)0.010 (4)0.000 (4)
C300.056 (6)0.053 (6)0.046 (6)0.010 (5)0.019 (5)−0.007 (5)
C310.067 (7)0.060 (6)0.048 (6)0.007 (6)0.018 (5)−0.001 (5)
C320.075 (8)0.063 (7)0.045 (6)0.009 (6)0.017 (5)−0.002 (5)
C330.065 (7)0.057 (6)0.056 (7)0.016 (5)0.024 (5)−0.007 (5)
C340.058 (6)0.039 (5)0.054 (6)0.006 (5)0.024 (5)−0.004 (5)
C350.051 (6)0.068 (7)0.041 (6)0.018 (5)0.019 (4)−0.011 (5)
C360.050 (6)0.074 (8)0.095 (10)0.003 (6)0.031 (6)−0.007 (7)
C370.057 (8)0.099 (11)0.121 (13)−0.007 (8)0.035 (8)−0.021 (10)
C380.046 (7)0.124 (12)0.076 (9)0.019 (8)0.017 (6)−0.031 (9)
C390.048 (6)0.084 (8)0.055 (7)0.019 (6)0.022 (5)−0.011 (6)
C400.044 (6)0.082 (8)0.051 (6)0.011 (6)0.015 (5)−0.018 (6)
C410.16 (2)0.23 (3)0.18 (2)0.042 (19)0.101 (19)0.11 (2)
C420.099 (11)0.094 (11)0.114 (13)0.007 (9)0.001 (10)0.042 (10)
C430.045 (5)0.029 (4)0.057 (6)0.002 (4)0.015 (4)−0.001 (4)
C440.043 (5)0.046 (5)0.048 (6)0.000 (4)0.015 (4)0.002 (4)
C450.067 (7)0.046 (6)0.049 (6)−0.006 (5)0.019 (5)0.004 (5)
C460.083 (8)0.030 (5)0.061 (7)0.000 (5)0.014 (6)0.003 (5)
C470.077 (7)0.035 (5)0.059 (7)0.004 (5)0.027 (6)−0.003 (5)
C480.068 (7)0.032 (5)0.052 (6)0.000 (5)0.030 (5)0.004 (4)
C490.048 (5)0.040 (5)0.043 (5)−0.001 (4)0.021 (4)−0.007 (4)
C500.039 (5)0.051 (6)0.067 (7)0.006 (5)0.018 (5)0.008 (5)
C510.037 (5)0.064 (7)0.081 (8)−0.001 (5)0.013 (5)0.003 (6)
C520.047 (6)0.055 (6)0.066 (7)−0.023 (5)0.017 (5)−0.005 (5)
C530.058 (6)0.040 (5)0.072 (7)−0.011 (5)0.019 (5)−0.007 (5)
C540.052 (6)0.036 (5)0.060 (7)−0.003 (4)0.016 (5)0.000 (4)
C550.040 (5)0.036 (5)0.039 (5)−0.002 (4)0.012 (4)0.001 (4)
C560.045 (5)0.036 (5)0.048 (6)−0.004 (4)0.014 (4)−0.001 (4)
C570.047 (5)0.045 (5)0.054 (6)−0.006 (4)0.016 (5)−0.007 (4)
C580.050 (6)0.062 (6)0.045 (6)−0.011 (5)0.013 (5)−0.015 (5)
C590.036 (5)0.063 (6)0.052 (6)0.004 (5)0.009 (4)−0.001 (5)
C600.043 (5)0.039 (5)0.036 (5)−0.003 (4)0.018 (4)0.001 (4)
C610.031 (4)0.047 (5)0.042 (5)−0.002 (4)0.009 (4)−0.003 (4)
C620.033 (4)0.045 (5)0.046 (5)−0.002 (4)0.013 (4)−0.001 (4)
C630.052 (6)0.046 (5)0.061 (7)0.000 (5)0.020 (5)−0.002 (5)
C640.051 (6)0.041 (5)0.056 (6)0.013 (4)0.009 (5)−0.005 (5)
C650.043 (5)0.035 (5)0.073 (7)0.004 (4)0.010 (5)0.009 (5)
C660.040 (5)0.041 (5)0.051 (6)−0.002 (4)0.014 (4)0.012 (4)
C670.091 (9)0.073 (8)0.054 (7)−0.031 (7)0.032 (6)−0.002 (6)
C680.081 (8)0.070 (8)0.062 (7)0.005 (6)0.036 (6)0.016 (6)
C690.043 (5)0.025 (4)0.055 (6)0.005 (4)0.011 (4)−0.006 (4)
C700.040 (5)0.047 (6)0.075 (8)0.008 (5)0.005 (5)0.000 (5)
C710.042 (6)0.028 (5)0.147 (13)0.004 (4)0.031 (7)0.015 (6)
C720.083 (9)0.036 (5)0.111 (11)−0.010 (6)0.059 (8)−0.026 (6)
C730.074 (8)0.048 (6)0.099 (10)−0.021 (6)0.048 (7)−0.026 (6)
C740.051 (6)0.043 (5)0.051 (6)0.000 (4)0.015 (5)−0.006 (4)
C750.063 (7)0.057 (6)0.049 (6)−0.012 (5)0.007 (5)0.011 (5)
C760.095 (9)0.035 (5)0.060 (7)−0.001 (5)0.033 (6)0.011 (5)
C770.164 (17)0.055 (8)0.088 (11)0.003 (9)0.045 (11)0.026 (7)
C780.24 (2)0.061 (9)0.136 (15)0.039 (12)0.134 (17)0.041 (9)
C790.173 (17)0.110 (12)0.054 (8)0.010 (12)0.068 (10)0.011 (8)
C800.28 (3)0.047 (7)0.090 (11)0.004 (11)0.108 (14)0.000 (7)
S1A0.0655 (17)0.0536 (15)0.0668 (19)0.0006 (13)0.0234 (14)−0.0011 (13)
S2A0.0580 (16)0.0746 (18)0.0583 (17)0.0027 (15)0.0125 (13)−0.0114 (15)
F1A0.091 (6)0.132 (7)0.092 (6)−0.038 (5)−0.019 (5)0.025 (5)
F2A0.175 (9)0.061 (4)0.113 (7)−0.006 (5)0.070 (7)0.000 (5)
F3A0.100 (6)0.092 (5)0.071 (5)0.003 (5)0.032 (4)0.013 (4)
F4A0.075 (5)0.094 (5)0.070 (5)0.024 (4)0.008 (4)−0.002 (4)
F5A0.108 (6)0.103 (6)0.063 (5)0.015 (5)0.018 (4)−0.026 (4)
F6A0.114 (7)0.091 (6)0.095 (6)−0.014 (5)0.055 (5)0.002 (5)
O1A0.068 (6)0.091 (7)0.125 (9)0.025 (5)0.014 (6)−0.010 (6)
O2A0.144 (9)0.073 (6)0.073 (6)−0.010 (6)0.055 (6)−0.019 (5)
O3A0.082 (6)0.110 (7)0.056 (5)0.033 (5)−0.005 (4)−0.008 (5)
O4A0.115 (8)0.065 (5)0.086 (6)−0.025 (5)0.049 (6)−0.018 (5)
N1A0.060 (6)0.064 (6)0.068 (6)−0.004 (5)0.007 (5)−0.014 (5)
C1A0.075 (8)0.067 (7)0.060 (8)−0.001 (7)0.008 (6)−0.001 (6)
C2A0.089 (9)0.074 (8)0.048 (7)0.007 (7)0.000 (6)0.004 (6)
Geometric parameters (Å, º) top
Au1—Au23.3005 (5)C41—H41B0.9800
Au1—Au33.1909 (5)C41—H41C0.9800
Au1—P12.280 (2)C42—H42A0.9800
Au1—C12.094 (8)C42—H42B0.9800
Au2—Au33.2101 (5)C42—H42C0.9800
Au2—P22.281 (2)C43—H431.0000
Au2—C12.098 (7)C43—C441.539 (12)
Au3—P32.273 (2)C43—C481.536 (13)
Au3—C12.090 (7)C44—H44A0.9900
P1—C31.840 (8)C44—H44B0.9900
P1—C171.846 (8)C44—C451.520 (13)
P1—C231.837 (8)C45—H45A0.9900
P2—C291.833 (9)C45—H45B0.9900
P2—C431.852 (8)C45—C461.516 (14)
P2—C491.853 (9)C46—H46A0.9900
P3—C551.835 (9)C46—H46B0.9900
P3—C691.854 (9)C46—C471.526 (14)
P3—C751.847 (10)C47—H47A0.9900
O1—C21.176 (10)C47—H47B0.9900
O2—C101.366 (10)C47—C481.534 (12)
O2—C151.427 (11)C48—H48A0.9900
O3—C141.368 (10)C48—H48B0.9900
O3—C161.441 (11)C49—H491.0000
O4—C361.397 (16)C49—C501.546 (13)
O4—C411.278 (18)C49—C541.523 (12)
O5—C401.360 (13)C50—H50A0.9900
O5—C421.438 (14)C50—H50B0.9900
O6—C621.376 (11)C50—C511.541 (14)
O6—C671.432 (12)C51—H51A0.9900
O7—C661.378 (11)C51—H51B0.9900
O7—C681.422 (12)C51—C521.503 (14)
C1—C21.282 (12)C52—H52A0.9900
C3—C41.385 (11)C52—H52B0.9900
C3—C81.409 (11)C52—C531.524 (14)
C4—H40.9500C53—H53A0.9900
C4—C51.373 (12)C53—H53B0.9900
C5—H50.9500C53—C541.537 (13)
C5—C61.364 (13)C54—H54A0.9900
C6—H60.9500C54—H54B0.9900
C6—C71.394 (12)C55—C561.395 (12)
C7—H70.9500C55—C601.412 (12)
C7—C81.394 (12)C56—H560.9500
C8—C91.486 (11)C56—C571.383 (13)
C9—C101.401 (12)C57—H570.9500
C9—C141.389 (11)C57—C581.359 (14)
C10—C111.390 (12)C58—H580.9500
C11—H110.9500C58—C591.395 (14)
C11—C121.374 (13)C59—H590.9500
C12—H120.9500C59—C601.375 (12)
C12—C131.365 (13)C60—C611.499 (12)
C13—H130.9500C61—C621.390 (12)
C13—C141.390 (12)C61—C661.404 (12)
C15—H15A0.9800C62—C631.386 (13)
C15—H15B0.9800C63—H630.9500
C15—H15C0.9800C63—C641.372 (14)
C16—H16A0.9800C64—H640.9500
C16—H16B0.9800C64—C651.372 (14)
C16—H16C0.9800C65—H650.9500
C17—H171.0000C65—C661.374 (13)
C17—C181.533 (11)C67—H67A0.9800
C17—C221.527 (12)C67—H67B0.9800
C18—H18A0.9900C67—H67C0.9800
C18—H18B0.9900C68—H68A0.9800
C18—C191.523 (13)C68—H68B0.9800
C19—H19A0.9900C68—H68C0.9800
C19—H19B0.9900C69—H691.0000
C19—C201.522 (15)C69—C701.529 (12)
C20—H20A0.9900C69—C741.530 (13)
C20—H20B0.9900C70—H70A0.9900
C20—C211.520 (14)C70—H70B0.9900
C21—H21A0.9900C70—C711.539 (14)
C21—H21B0.9900C71—H71A0.9900
C21—C221.535 (13)C71—H71B0.9900
C22—H22A0.9900C71—C721.520 (17)
C22—H22B0.9900C72—H72A0.9900
C23—H231.0000C72—H72B0.9900
C23—C241.551 (11)C72—C731.504 (17)
C23—C281.531 (11)C73—H73A0.9900
C24—H24A0.9900C73—H73B0.9900
C24—H24B0.9900C73—C741.524 (13)
C24—C251.541 (12)C74—H74A0.9900
C25—H25A0.9900C74—H74B0.9900
C25—H25B0.9900C75—H751.0000
C25—C261.533 (13)C75—C761.497 (14)
C26—H26A0.9900C75—C801.444 (16)
C26—H26B0.9900C76—H76A0.9900
C26—C271.529 (13)C76—H76B0.9900
C27—H27A0.9900C76—C771.498 (15)
C27—H27B0.9900C77—H77A0.9900
C27—C281.524 (11)C77—H77B0.9900
C28—H28A0.9900C77—C781.416 (19)
C28—H28B0.9900C78—H78A0.9900
C29—C301.421 (13)C78—H78B0.9900
C29—C341.389 (13)C78—C791.56 (2)
C30—H300.9500C79—H79A0.9900
C30—C311.376 (14)C79—H79B0.9900
C31—H310.9500C79—C801.539 (18)
C31—C321.391 (14)C80—H80A0.9900
C32—H320.9500C80—H80B0.9900
C32—C331.368 (15)S1A—O1A1.450 (9)
C33—H330.9500S1A—O2A1.436 (9)
C33—C341.383 (14)S1A—N1A1.570 (10)
C34—C351.496 (14)S1A—C1A1.784 (13)
C35—C361.366 (16)S2A—O3A1.448 (8)
C35—C401.376 (16)S2A—O4A1.453 (9)
C36—C371.376 (18)S2A—N1A1.566 (9)
C37—H370.9500S2A—C2A1.754 (14)
C37—C381.40 (2)F1A—C1A1.321 (14)
C38—H380.9500F2A—C1A1.342 (14)
C38—C391.356 (17)F3A—C1A1.346 (14)
C39—H390.9500F4A—C2A1.301 (13)
C39—C401.386 (14)F5A—C2A1.360 (14)
C41—H41A0.9800F6A—C2A1.368 (14)
Au3—Au1—Au259.247 (11)P2—C43—H43108.8
P1—Au1—Au2138.37 (5)C44—C43—P2109.0 (6)
P1—Au1—Au3133.55 (5)C44—C43—H43108.8
C1—Au1—Au238.1 (2)C48—C43—P2111.4 (6)
C1—Au1—Au340.3 (2)C48—C43—H43108.8
C1—Au1—P1172.5 (2)C48—C43—C44110.0 (8)
Au3—Au2—Au158.675 (11)C43—C44—H44A109.4
P2—Au2—Au1132.86 (6)C43—C44—H44B109.4
P2—Au2—Au3141.89 (6)H44A—C44—H44B108.0
C1—Au2—Au138.0 (2)C45—C44—C43111.0 (8)
C1—Au2—Au339.9 (2)C45—C44—H44A109.4
C1—Au2—P2170.9 (2)C45—C44—H44B109.4
Au1—Au3—Au262.077 (11)C44—C45—H45A109.4
P3—Au3—Au1136.88 (6)C44—C45—H45B109.4
P3—Au3—Au2134.46 (6)H45A—C45—H45B108.0
C1—Au3—Au140.3 (2)C46—C45—C44111.4 (8)
C1—Au3—Au240.1 (2)C46—C45—H45A109.4
C1—Au3—P3173.3 (2)C46—C45—H45B109.4
C3—P1—Au1122.2 (3)C45—C46—H46A109.6
C3—P1—C17104.8 (4)C45—C46—H46B109.6
C17—P1—Au1108.5 (3)C45—C46—C47110.2 (9)
C23—P1—Au1110.1 (3)H46A—C46—H46B108.1
C23—P1—C3104.3 (4)C47—C46—H46A109.6
C23—P1—C17105.8 (4)C47—C46—H46B109.6
C29—P2—Au2121.8 (3)C46—C47—H47A109.1
C29—P2—C43104.5 (4)C46—C47—H47B109.1
C29—P2—C49104.8 (4)C46—C47—C48112.4 (9)
C43—P2—Au2112.2 (3)H47A—C47—H47B107.9
C43—P2—C49108.7 (4)C48—C47—H47A109.1
C49—P2—Au2104.0 (3)C48—C47—H47B109.1
C55—P3—Au3121.0 (3)C43—C48—H48A109.7
C55—P3—C69104.2 (4)C43—C48—H48B109.7
C55—P3—C75105.0 (4)C47—C48—C43109.9 (8)
C69—P3—Au3110.1 (3)C47—C48—H48A109.7
C75—P3—Au3111.6 (4)C47—C48—H48B109.7
C75—P3—C69103.4 (5)H48A—C48—H48B108.2
C10—O2—C15117.5 (7)P2—C49—H49105.9
C14—O3—C16117.1 (7)C50—C49—P2118.2 (7)
C41—O4—C36124.5 (14)C50—C49—H49105.9
C40—O5—C42116.7 (10)C54—C49—P2109.6 (6)
C62—O6—C67116.4 (8)C54—C49—H49105.9
C66—O7—C68116.7 (8)C54—C49—C50110.5 (8)
Au1—C1—Au2103.9 (3)C49—C50—H50A109.7
Au3—C1—Au199.4 (3)C49—C50—H50B109.7
Au3—C1—Au2100.1 (3)H50A—C50—H50B108.2
C2—C1—Au1116.3 (6)C51—C50—C49109.7 (8)
C2—C1—Au2115.6 (6)C51—C50—H50A109.7
C2—C1—Au3118.8 (6)C51—C50—H50B109.7
O1—C2—C1178.9 (10)C50—C51—H51A109.4
C4—C3—P1117.5 (6)C50—C51—H51B109.4
C4—C3—C8118.2 (8)H51A—C51—H51B108.0
C8—C3—P1123.8 (6)C52—C51—C50111.4 (9)
C3—C4—H4118.6C52—C51—H51A109.4
C5—C4—C3122.9 (8)C52—C51—H51B109.4
C5—C4—H4118.6C51—C52—H52A109.4
C4—C5—H5120.4C51—C52—H52B109.4
C6—C5—C4119.3 (9)C51—C52—C53111.0 (8)
C6—C5—H5120.4H52A—C52—H52B108.0
C5—C6—H6120.1C53—C52—H52A109.4
C5—C6—C7119.7 (9)C53—C52—H52B109.4
C7—C6—H6120.1C52—C53—H53A109.2
C6—C7—H7119.3C52—C53—H53B109.2
C8—C7—C6121.4 (8)C52—C53—C54112.2 (9)
C8—C7—H7119.3H53A—C53—H53B107.9
C3—C8—C9124.3 (8)C54—C53—H53A109.2
C7—C8—C3118.5 (8)C54—C53—H53B109.2
C7—C8—C9117.2 (7)C49—C54—C53110.1 (8)
C10—C9—C8121.7 (8)C49—C54—H54A109.6
C14—C9—C8119.9 (8)C49—C54—H54B109.6
C14—C9—C10118.2 (8)C53—C54—H54A109.6
O2—C10—C9114.5 (7)C53—C54—H54B109.6
O2—C10—C11124.8 (8)H54A—C54—H54B108.2
C11—C10—C9120.7 (8)C56—C55—P3118.8 (7)
C10—C11—H11120.6C56—C55—C60118.6 (8)
C12—C11—C10118.9 (9)C60—C55—P3122.5 (7)
C12—C11—H11120.6C55—C56—H56119.0
C11—C12—H12119.0C57—C56—C55122.0 (9)
C13—C12—C11122.1 (9)C57—C56—H56119.0
C13—C12—H12119.0C56—C57—H57120.5
C12—C13—H13120.5C58—C57—C56119.0 (9)
C12—C13—C14119.0 (9)C58—C57—H57120.5
C14—C13—H13120.5C57—C58—H58119.9
O3—C14—C9115.0 (8)C57—C58—C59120.3 (9)
O3—C14—C13123.9 (8)C59—C58—H58119.9
C9—C14—C13121.1 (8)C58—C59—H59119.1
O2—C15—H15A109.5C60—C59—C58121.7 (9)
O2—C15—H15B109.5C60—C59—H59119.1
O2—C15—H15C109.5C55—C60—C61124.5 (8)
H15A—C15—H15B109.5C59—C60—C55118.3 (9)
H15A—C15—H15C109.5C59—C60—C61117.0 (8)
H15B—C15—H15C109.5C62—C61—C60122.8 (8)
O3—C16—H16A109.5C62—C61—C66118.0 (9)
O3—C16—H16B109.5C66—C61—C60119.0 (8)
O3—C16—H16C109.5O6—C62—C61115.3 (8)
H16A—C16—H16B109.5O6—C62—C63123.3 (8)
H16A—C16—H16C109.5C63—C62—C61121.4 (9)
H16B—C16—H16C109.5C62—C63—H63120.8
P1—C17—H17106.6C64—C63—C62118.4 (10)
C18—C17—P1116.5 (6)C64—C63—H63120.8
C18—C17—H17106.6C63—C64—H64118.9
C22—C17—P1109.7 (6)C65—C64—C63122.2 (9)
C22—C17—H17106.6C65—C64—H64118.9
C22—C17—C18110.1 (7)C64—C65—H65120.5
C17—C18—H18A109.5C64—C65—C66119.0 (9)
C17—C18—H18B109.5C66—C65—H65120.5
H18A—C18—H18B108.1O7—C66—C61114.4 (8)
C19—C18—C17110.8 (8)C65—C66—O7124.5 (9)
C19—C18—H18A109.5C65—C66—C61121.0 (9)
C19—C18—H18B109.5O6—C67—H67A109.5
C18—C19—H19A109.3O6—C67—H67B109.5
C18—C19—H19B109.3O6—C67—H67C109.5
H19A—C19—H19B107.9H67A—C67—H67B109.5
C20—C19—C18111.7 (8)H67A—C67—H67C109.5
C20—C19—H19A109.3H67B—C67—H67C109.5
C20—C19—H19B109.3O7—C68—H68A109.5
C19—C20—H20A109.1O7—C68—H68B109.5
C19—C20—H20B109.1O7—C68—H68C109.5
H20A—C20—H20B107.9H68A—C68—H68B109.5
C21—C20—C19112.3 (9)H68A—C68—H68C109.5
C21—C20—H20A109.1H68B—C68—H68C109.5
C21—C20—H20B109.1P3—C69—H69108.0
C20—C21—H21A109.6C70—C69—P3111.2 (7)
C20—C21—H21B109.6C70—C69—H69108.0
C20—C21—C22110.5 (8)C70—C69—C74109.6 (8)
H21A—C21—H21B108.1C74—C69—P3111.8 (6)
C22—C21—H21A109.6C74—C69—H69108.0
C22—C21—H21B109.6C69—C70—H70A109.8
C17—C22—C21112.5 (8)C69—C70—H70B109.8
C17—C22—H22A109.1C69—C70—C71109.6 (9)
C17—C22—H22B109.1H70A—C70—H70B108.2
C21—C22—H22A109.1C71—C70—H70A109.8
C21—C22—H22B109.1C71—C70—H70B109.8
H22A—C22—H22B107.8C70—C71—H71A109.2
P1—C23—H23108.3C70—C71—H71B109.2
C24—C23—P1110.5 (6)H71A—C71—H71B107.9
C24—C23—H23108.3C72—C71—C70112.2 (9)
C28—C23—P1112.5 (5)C72—C71—H71A109.2
C28—C23—H23108.3C72—C71—H71B109.2
C28—C23—C24108.8 (7)C71—C72—H72A109.0
C23—C24—H24A109.6C71—C72—H72B109.0
C23—C24—H24B109.6H72A—C72—H72B107.8
H24A—C24—H24B108.1C73—C72—C71113.1 (10)
C25—C24—C23110.1 (7)C73—C72—H72A109.0
C25—C24—H24A109.6C73—C72—H72B109.0
C25—C24—H24B109.6C72—C73—H73A109.3
C24—C25—H25A109.4C72—C73—H73B109.3
C24—C25—H25B109.4C72—C73—C74111.5 (9)
H25A—C25—H25B108.0H73A—C73—H73B108.0
C26—C25—C24111.3 (7)C74—C73—H73A109.3
C26—C25—H25A109.4C74—C73—H73B109.3
C26—C25—H25B109.4C69—C74—H74A109.5
C25—C26—H26A109.3C69—C74—H74B109.5
C25—C26—H26B109.3C73—C74—C69110.8 (9)
H26A—C26—H26B108.0C73—C74—H74A109.5
C27—C26—C25111.4 (8)C73—C74—H74B109.5
C27—C26—H26A109.3H74A—C74—H74B108.1
C27—C26—H26B109.3P3—C75—H75104.2
C26—C27—H27A109.3C76—C75—P3115.7 (8)
C26—C27—H27B109.3C76—C75—H75104.2
H27A—C27—H27B107.9C80—C75—P3114.2 (9)
C28—C27—C26111.7 (7)C80—C75—H75104.2
C28—C27—H27A109.3C80—C75—C76112.5 (11)
C28—C27—H27B109.3C75—C76—H76A108.6
C23—C28—H28A109.5C75—C76—H76B108.6
C23—C28—H28B109.5C75—C76—C77114.8 (11)
C27—C28—C23110.7 (7)H76A—C76—H76B107.5
C27—C28—H28A109.5C77—C76—H76A108.6
C27—C28—H28B109.5C77—C76—H76B108.6
H28A—C28—H28B108.1C76—C77—H77A109.2
C30—C29—P2117.2 (7)C76—C77—H77B109.2
C34—C29—P2124.2 (7)H77A—C77—H77B107.9
C34—C29—C30118.4 (9)C78—C77—C76112.0 (12)
C29—C30—H30119.5C78—C77—H77A109.2
C31—C30—C29121.1 (10)C78—C77—H77B109.2
C31—C30—H30119.5C77—C78—H78A108.3
C30—C31—H31120.4C77—C78—H78B108.3
C30—C31—C32119.3 (11)C77—C78—C79115.9 (13)
C32—C31—H31120.4H78A—C78—H78B107.4
C31—C32—H32120.2C79—C78—H78A108.3
C33—C32—C31119.7 (10)C79—C78—H78B108.3
C33—C32—H32120.2C78—C79—H79A110.2
C32—C33—H33118.9C78—C79—H79B110.2
C32—C33—C34122.1 (10)H79A—C79—H79B108.5
C34—C33—H33118.9C80—C79—C78107.5 (13)
C29—C34—C35122.3 (9)C80—C79—H79A110.2
C33—C34—C29119.2 (10)C80—C79—H79B110.2
C33—C34—C35118.5 (9)C75—C80—C79114.5 (12)
C36—C35—C34119.7 (11)C75—C80—H80A108.6
C36—C35—C40117.7 (11)C75—C80—H80B108.6
C40—C35—C34122.3 (10)C79—C80—H80A108.6
C35—C36—O4117.6 (12)C79—C80—H80B108.6
C35—C36—C37123.3 (14)H80A—C80—H80B107.6
C37—C36—O4119.0 (13)O1A—S1A—N1A116.1 (6)
C36—C37—H37121.7O1A—S1A—C1A105.4 (6)
C36—C37—C38116.7 (14)O2A—S1A—O1A121.1 (6)
C38—C37—H37121.7O2A—S1A—N1A107.9 (6)
C37—C38—H38119.0O2A—S1A—C1A101.7 (6)
C39—C38—C37122.0 (13)N1A—S1A—C1A101.8 (6)
C39—C38—H38119.0O3A—S2A—O4A121.5 (6)
C38—C39—H39120.6O3A—S2A—N1A115.4 (6)
C38—C39—C40118.7 (13)O3A—S2A—C2A102.3 (6)
C40—C39—H39120.6O4A—S2A—N1A111.2 (5)
O5—C40—C35114.2 (10)O4A—S2A—C2A100.6 (6)
O5—C40—C39124.3 (12)N1A—S2A—C2A101.8 (6)
C35—C40—C39121.4 (12)S2A—N1A—S1A126.9 (7)
O4—C41—H41A109.5F1A—C1A—S1A113.1 (9)
O4—C41—H41B109.5F1A—C1A—F2A108.9 (11)
O4—C41—H41C109.5F1A—C1A—F3A106.9 (11)
H41A—C41—H41B109.5F2A—C1A—S1A110.4 (9)
H41A—C41—H41C109.5F2A—C1A—F3A104.9 (10)
H41B—C41—H41C109.5F3A—C1A—S1A112.2 (9)
O5—C42—H42A109.5F4A—C2A—S2A115.4 (9)
O5—C42—H42B109.5F4A—C2A—F5A106.6 (11)
O5—C42—H42C109.5F4A—C2A—F6A108.2 (12)
H42A—C42—H42B109.5F5A—C2A—S2A109.1 (9)
H42A—C42—H42C109.5F5A—C2A—F6A106.3 (10)
H42B—C42—H42C109.5F6A—C2A—S2A110.8 (9)
Au1—P1—C3—C4161.8 (5)C34—C35—C40—O54.4 (14)
Au1—P1—C3—C8−26.2 (8)C34—C35—C40—C39−178.6 (9)
Au1—P1—C17—C18−170.1 (6)C35—C36—C37—C38−2 (2)
Au1—P1—C17—C2263.9 (6)C36—C35—C40—O5179.2 (10)
Au1—P1—C23—C2448.8 (6)C36—C35—C40—C39−3.8 (16)
Au1—P1—C23—C28−73.0 (6)C36—C37—C38—C39−1 (2)
Au2—P2—C29—C30−176.5 (6)C37—C38—C39—C401.1 (18)
Au2—P2—C29—C34−0.7 (10)C38—C39—C40—O5177.9 (10)
Au2—P2—C43—C44−65.2 (7)C38—C39—C40—C351.2 (16)
Au2—P2—C43—C4856.4 (7)C40—C35—C36—O4−178.5 (11)
Au2—P2—C49—C50−168.7 (7)C40—C35—C36—C374.4 (18)
Au2—P2—C49—C5463.7 (7)C41—O4—C36—C35122 (2)
Au3—P3—C55—C56153.7 (6)C41—O4—C36—C37−61 (3)
Au3—P3—C55—C60−29.8 (9)C42—O5—C40—C35175.4 (11)
Au3—P3—C69—C7048.3 (7)C42—O5—C40—C39−1.5 (17)
Au3—P3—C69—C74−74.5 (7)C43—P2—C29—C3055.1 (8)
Au3—P3—C75—C76173.0 (8)C43—P2—C29—C34−129.1 (8)
Au3—P3—C75—C8039.9 (13)C43—P2—C49—C50−48.9 (8)
P1—C3—C4—C5172.4 (7)C43—P2—C49—C54−176.6 (7)
P1—C3—C8—C7−171.8 (6)C43—C44—C45—C46−57.7 (12)
P1—C3—C8—C98.8 (12)C44—C43—C48—C47−56.1 (11)
P1—C17—C18—C19178.0 (7)C44—C45—C46—C4755.9 (12)
P1—C17—C22—C21−174.4 (7)C45—C46—C47—C48−55.7 (12)
P1—C23—C24—C25176.7 (6)C46—C47—C48—C4356.2 (12)
P1—C23—C28—C27−177.4 (6)C48—C43—C44—C4557.5 (10)
P2—C29—C30—C31172.5 (8)C49—P2—C29—C30−59.2 (8)
P2—C29—C34—C33−170.3 (8)C49—P2—C29—C34116.6 (9)
P2—C29—C34—C3512.0 (14)C49—P2—C43—C44−179.7 (6)
P2—C43—C44—C45180.0 (7)C49—P2—C43—C48−58.1 (8)
P2—C43—C48—C47−177.1 (7)C49—C50—C51—C5257.7 (12)
P2—C49—C50—C51174.5 (7)C50—C49—C54—C5357.0 (11)
P2—C49—C54—C53−171.1 (7)C50—C51—C52—C53−55.9 (13)
P3—C55—C56—C57177.7 (7)C51—C52—C53—C5455.0 (12)
P3—C55—C60—C59−175.4 (7)C52—C53—C54—C49−55.5 (11)
P3—C55—C60—C619.0 (12)C54—C49—C50—C51−58.2 (11)
P3—C69—C70—C71176.8 (7)C55—P3—C69—C70179.4 (7)
P3—C69—C74—C73−176.1 (7)C55—P3—C69—C7456.6 (7)
P3—C75—C76—C77177.2 (10)C55—P3—C75—C7640.3 (10)
P3—C75—C80—C79−174.0 (12)C55—P3—C75—C80−92.8 (12)
O2—C10—C11—C12178.6 (8)C55—C56—C57—C58−1.3 (15)
O4—C36—C37—C38−179.3 (12)C55—C60—C61—C62−105.9 (11)
O6—C62—C63—C64180.0 (9)C55—C60—C61—C6679.5 (12)
C3—P1—C17—C1857.9 (7)C56—C55—C60—C591.1 (13)
C3—P1—C17—C22−68.1 (7)C56—C55—C60—C61−174.5 (8)
C3—P1—C23—C24−178.5 (6)C56—C57—C58—C59−0.4 (15)
C3—P1—C23—C2859.7 (7)C57—C58—C59—C602.6 (16)
C3—C4—C5—C6−0.8 (14)C58—C59—C60—C55−2.9 (15)
C3—C8—C9—C1075.4 (11)C58—C59—C60—C61173.0 (9)
C3—C8—C9—C14−110.5 (10)C59—C60—C61—C6278.5 (12)
C4—C3—C8—C70.2 (12)C59—C60—C61—C66−96.1 (10)
C4—C3—C8—C9−179.2 (8)C60—C55—C56—C571.0 (14)
C4—C5—C6—C71.7 (14)C60—C61—C62—O64.7 (13)
C5—C6—C7—C8−1.7 (13)C60—C61—C62—C63−173.3 (9)
C6—C7—C8—C30.7 (12)C60—C61—C66—O7−4.1 (12)
C6—C7—C8—C9−179.8 (8)C60—C61—C66—C65174.6 (9)
C7—C8—C9—C10−104.1 (9)C61—C62—C63—C64−2.2 (15)
C7—C8—C9—C1470.1 (10)C62—C61—C66—O7−178.9 (8)
C8—C3—C4—C5−0.2 (13)C62—C61—C66—C65−0.3 (14)
C8—C9—C10—O2−3.3 (11)C62—C63—C64—C652.1 (15)
C8—C9—C10—C11177.1 (7)C63—C64—C65—C66−1.1 (15)
C8—C9—C14—O32.8 (11)C64—C65—C66—O7178.6 (9)
C8—C9—C14—C13−176.9 (8)C64—C65—C66—C610.1 (14)
C9—C10—C11—C12−1.9 (12)C66—C61—C62—O6179.3 (8)
C10—C9—C14—O3177.1 (7)C66—C61—C62—C631.3 (14)
C10—C9—C14—C13−2.5 (12)C67—O6—C62—C61172.9 (9)
C10—C11—C12—C130.3 (14)C67—O6—C62—C63−9.2 (14)
C11—C12—C13—C140.1 (14)C68—O7—C66—C61−175.1 (9)
C12—C13—C14—O3−178.5 (8)C68—O7—C66—C656.3 (14)
C12—C13—C14—C91.1 (13)C69—P3—C55—C5629.3 (8)
C14—C9—C10—O2−177.5 (7)C69—P3—C55—C60−154.2 (7)
C14—C9—C10—C112.9 (12)C69—P3—C75—C76−68.7 (10)
C15—O2—C10—C9−172.4 (7)C69—P3—C75—C80158.2 (12)
C15—O2—C10—C117.2 (12)C69—C70—C71—C7255.0 (12)
C16—O3—C14—C9170.5 (8)C70—C69—C74—C7360.1 (10)
C16—O3—C14—C13−9.8 (12)C70—C71—C72—C73−51.6 (12)
C17—P1—C3—C4−74.6 (7)C71—C72—C73—C7451.4 (12)
C17—P1—C3—C897.4 (7)C72—C73—C74—C69−55.8 (12)
C17—P1—C23—C24−68.2 (7)C74—C69—C70—C71−59.1 (10)
C17—P1—C23—C28170.0 (6)C75—P3—C55—C56−79.1 (8)
C17—C18—C19—C2056.0 (11)C75—P3—C55—C6097.4 (8)
C18—C17—C22—C2156.1 (10)C75—P3—C69—C70−71.0 (8)
C18—C19—C20—C21−54.9 (12)C75—P3—C69—C74166.2 (7)
C19—C20—C21—C2253.1 (12)C75—C76—C77—C7849 (2)
C20—C21—C22—C17−54.4 (12)C76—C75—C80—C7951 (2)
C22—C17—C18—C19−56.2 (10)C76—C77—C78—C79−51 (2)
C23—P1—C3—C436.4 (8)C77—C78—C79—C8052 (2)
C23—P1—C3—C8−151.5 (7)C78—C79—C80—C75−51 (2)
C23—P1—C17—C18−52.0 (7)C80—C75—C76—C77−48.9 (17)
C23—P1—C17—C22−178.0 (6)O1A—S1A—N1A—S2A10.1 (11)
C23—C24—C25—C2656.7 (10)O1A—S1A—C1A—F1A173.3 (10)
C24—C23—C28—C2759.8 (9)O1A—S1A—C1A—F2A51.0 (10)
C24—C25—C26—C27−53.5 (10)O1A—S1A—C1A—F3A−65.6 (10)
C25—C26—C27—C2853.8 (11)O2A—S1A—N1A—S2A149.6 (8)
C26—C27—C28—C23−57.6 (10)O2A—S1A—C1A—F1A46.2 (11)
C28—C23—C24—C25−59.4 (9)O2A—S1A—C1A—F2A−76.1 (10)
C29—P2—C43—C4468.8 (7)O2A—S1A—C1A—F3A167.3 (9)
C29—P2—C43—C48−169.6 (7)O3A—S2A—N1A—S1A17.2 (10)
C29—P2—C49—C5062.4 (8)O3A—S2A—C2A—F4A173.8 (10)
C29—P2—C49—C54−65.3 (8)O3A—S2A—C2A—F5A−66.3 (10)
C29—C30—C31—C32−0.4 (16)O3A—S2A—C2A—F6A50.4 (10)
C29—C34—C35—C3685.6 (13)O4A—S2A—N1A—S1A−126.4 (8)
C29—C34—C35—C40−99.8 (12)O4A—S2A—C2A—F4A−60.4 (11)
C30—C29—C34—C335.4 (15)O4A—S2A—C2A—F5A59.5 (9)
C30—C29—C34—C35−172.3 (10)O4A—S2A—C2A—F6A176.2 (8)
C30—C31—C32—C332.5 (17)N1A—S1A—C1A—F1A−65.1 (11)
C31—C32—C33—C34−0.5 (18)N1A—S1A—C1A—F2A172.6 (9)
C32—C33—C34—C29−3.5 (17)N1A—S1A—C1A—F3A56.0 (10)
C32—C33—C34—C35174.3 (11)N1A—S2A—C2A—F4A54.2 (11)
C33—C34—C35—C36−92.2 (13)N1A—S2A—C2A—F5A174.1 (8)
C33—C34—C35—C4082.5 (13)N1A—S2A—C2A—F6A−69.2 (9)
C34—C29—C30—C31−3.5 (15)C1A—S1A—N1A—S2A−103.8 (9)
C34—C35—C36—O4−3.6 (16)C2A—S2A—N1A—S1A127.1 (8)
C34—C35—C36—C37179.3 (12)
 

Acknowledgements

The authors would like to thank Dr S. Biros for help with manuscript preparation. Funding for the Single Crystal X-ray diffractometer was provided by the MRI program by the National Science Foundation under grant No. 1919565.

Funding information

Funding for this research was provided by: National Science Foundation, Directorate for Mathematical and Physical Sciences (grant No. CHE-1665139 to C. Anderson and grant No. CHE-1919565 to R. Staples); Organic Syntheses, Inc. (grant No. Summer Research at an Undergraduate Institution to C. Hartgerink).

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ISSN: 2056-9890
Volume 77| Part 5| May 2021| Pages 537-541
https://doi.org/10.1107/S2056989021003844
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