supplementary materials


wm2697 scheme

Acta Cryst. (2013). E69, m14    [ doi:10.1107/S1600536812049124 ]

Carbonyl{3,3'-di-tert-butyl-5,5'-dimethoxy-2,2'-bis[(4,4,5,5-tetramethyl-1,3,2-dioxaphospholan-2-yl)oxy]biphenyl-[kappa]2P,P'}hydrido(triphenylphosphane-[kappa]P)rhodium(I) diethyl ether trisolvate

D. Selent, A. Spannenberg and A. Börner

Abstract top

In the title compound, [RhH(C74H68O8P2)(C18H15P)(CO)]·3C4H10O, the CHP3 coordination set at the RhI ion is arranged in a distorted trigonal-bipyramidal geometry with the P atoms adopting equatorial coordination sites and the C atom of the carbonyl ligand as well as the H atom adopting the axial sites. The asymmetric unit contains two very similar molecules of the rhodium complex, two half-occupied diethyl ether molecules and further diethyl ether solvent molecules which could not be modelled successfully. Therefore contributions of the latter were removed from the diffraction data using the SQUEEZE procedure in PLATON [Spek (2009). Acta Cryst. D65, 148-155].

Comment top

The title compound, [Rh(C74H68O8P2)(C18H15P)H(CO)].3C4H10O, is formed by reaction of {3,3'-di-tert-butyl-5,5'- dimethoxy-2,2'-bis[(1,1,2,2-tetraphenyl-1,2-ethandioxy)phosphanyloxy- κP]biphenyl}-dicarbonylhydridorhodium(I) diethyl ether solvate with triphenylphosphane in toluene which affords substitution of one carbonyl ligand. The substitution reaction induces the rearrangement of the diphosphite ligand resulting in a bis-equatorial coordination.

The asymmetric unit of the title compound contains two molecules of the rhodium complex, two half-occupied diethyl ether molecules and further solvent molecules (diethyl ether) which are partly occupied and highly disordered. The latter could not be modelled successfully. Therefore, contributions of them were removed from the diffraction data with the SQUEEZE procedure in PLATON (Spek, 2009).

The distances Rh1—P2 = 2.2447 (7), Rh1—P3 = 2.2569 (7), Rh2—P5 = 2.2555 (7) and Rh2—P6 = 2.2553 (7) Å do significantly differ from that of the precursor complex (Rh1—P1 = 2.3045 (5), Rh1—P2 = 2.2913 (5) Å), as do the angles P2—Rh1—P3 = 117.18 (2) and P5—Rh2—P6 = 117.99 (2)° (P1—Rh1—P2 = 109.66 (2)°, Selent et al., 2012). The latter, together with the P—Rh—P angles arising from combinations with the triphenylphosphane phosphorus atoms, approach the ideal value of a trigonal-planar arrangement. The hydride ligands could be found from the difference Fourier map. The Rh—H distances were refined to 1.40 (4) Å.

Related rhodium complexes have been described by Rubio et al. (2009); Selent et al. (2011, 2012) and van Rooy et al. (1995, 1996).

Related literature top

For the solid-state structure and for DFT calculations of the dicarbonyl precursor of the title compound, see: Selent et al. (2011, 2012). For the crystal structure of another diphosphite hydrido complex of rhodium(I), see: van Rooy et al. (1995, 1996). An octahedral RhIII hydrido complex with both diphosphite and triphenylphosphane ligands adopting coordination sites in the same plane has been characterized structurally, see: Rubio et al. (2009).

Experimental top

To a stirred solution of {3,3'-di-tert-butyl-5,5'-dimethoxy-2,2'- bis[(1,1,2,2-tetraphenyl-1,2-ethandioxy)phosphanyloxy-κP]biphenyl}- dicarbonylhydridorhodium(I) diethyl ether solvate (0.1755 g, 0.134 mmol) in toluene (2 ml) a solution of triphenylphosphane (0.035 g, 0.134 mmol) in toluene (2 ml) was added dropwise at room temperature. The resulting yellow solution was stirred for 20 h at 343 K, then filtered and the filtrate evaporated to dryness. Recrystallization of the crude product from a mixture of toluene and diethyl ether at 278 K afforded colorless crystals which were filtered off and dried in vacuo at room temperature for 1 h. Yield: 120 mg (0.076 mmol, 56%).

Refinement top

The hydride ligands could be found from a difference Fourier map and were refined freely. All other H atoms were placed in idealized positions with d(C—H) = 0.95 Å (CH), 0.99 Å (CH2) and 0.98 Å (CH3) and refined using a riding model with Uiso(H) fixed at 1.2Ueq(C) for CH, CH2 and 1.5Ueq(C) for CH3. Bond lengths and angles of several phenyl rings were constrained to idealized values with C—C distances of 1.39 Å. DFIX and SADI instructions in SHELXL (Sheldrick, 2008) were used to improve the geometry of the half-occupied diethyl ether molecules. Additionally, anisotropic displacement parameters of C atoms of one solvent molecule were restrained to be equal using the SIMU instruction. This was also necessary for those of one phenyl ring (C181—C186) due to unresolved disorder. Contributions of further disordered diethyl ether solvent molecules were removed from the diffraction data with PLATON using the SQUEEZE procedure (Spek, 2009). SQUEEZE estimated the electron count in the void volume of 1790 Å3 to be 213 which is in good agreement with two and a half further diethyl ether molecules present in the crystal, leading to an overall solvent number of three per complex molecule.

Computing details top

Data collection: APEX2 (Bruker, 2011); cell refinement: SAINT (Bruker, 2009); data reduction: SAINT (Bruker, 2009); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: XP in SHELXTL (Sheldrick, 2008); software used to prepare material for publication: SHELXTL (Sheldrick, 2008).

Figures top
[Figure 1] Fig. 1. The molecular structure of the title compound. Only one of the two complex molecules in the asymmetric unit is depicted. Hydrogen atoms (except the hydride ligand) and the diethyl ether molecules were omitted for clarity. Displacement ellipsoids are drawn at the 30% probability level.
Carbonyl{3,3'-di-tert-butyl-5,5'-dimethoxy-2,2'-bis[(4,4,5,5- tetramethyl-1,3,2-dioxaphospholan-2-yl)oxy]biphenyl- κ2P,P'}hydrido(triphenylphosphane-κP)rhodium(I) diethyl ether trisolvate top
Crystal data top
[RhH(C74H68O8P2)(C18H15P)(CO)]·3C4H10OZ = 4
Mr = 1763.78F(000) = 3720
Triclinic, P1Dx = 1.248 Mg m3
a = 21.1611 (4) ÅMo Kα radiation, λ = 0.71073 Å
b = 22.1298 (4) ÅCell parameters from 9259 reflections
c = 22.6020 (4) Åθ = 2.3–28.7°
α = 112.345 (1)°µ = 0.29 mm1
β = 101.135 (1)°T = 150 K
γ = 96.757 (1)°Prism, colorless
V = 9389.9 (3) Å30.44 × 0.39 × 0.18 mm
Data collection top
Bruker Kappa APEXII DUO
diffractometer
43155 independent reflections
Radiation source: fine-focus sealed tube32017 reflections with I > 2σ(I)
Curved graphite monochromatorRint = 0.073
Detector resolution: 8.3333 pixels mm-1θmax = 27.5°, θmin = 1.5°
ω scansh = 2727
Absorption correction: multi-scan
(SADABS; Bruker, 2008)
k = 2828
Tmin = 0.94, Tmax = 1.00l = 2929
388867 measured reflections
Refinement top
Refinement on F2Primary atom site location: structure-invariant direct methods
Least-squares matrix: fullSecondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.053Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.152H atoms treated by a mixture of independent and constrained refinement
S = 1.05 w = 1/[σ2(Fo2) + (0.0834P)2 + 5.5129P]
where P = (Fo2 + 2Fc2)/3
43155 reflections(Δ/σ)max = 0.001
1866 parametersΔρmax = 1.43 e Å3
55 restraintsΔρmin = 0.99 e Å3
Crystal data top
[RhH(C74H68O8P2)(C18H15P)(CO)]·3C4H10Oγ = 96.757 (1)°
Mr = 1763.78V = 9389.9 (3) Å3
Triclinic, P1Z = 4
a = 21.1611 (4) ÅMo Kα radiation
b = 22.1298 (4) ŵ = 0.29 mm1
c = 22.6020 (4) ÅT = 150 K
α = 112.345 (1)°0.44 × 0.39 × 0.18 mm
β = 101.135 (1)°
Data collection top
Bruker Kappa APEXII DUO
diffractometer
43155 independent reflections
Absorption correction: multi-scan
(SADABS; Bruker, 2008)
32017 reflections with I > 2σ(I)
Tmin = 0.94, Tmax = 1.00Rint = 0.073
388867 measured reflectionsθmax = 27.5°
Refinement top
R[F2 > 2σ(F2)] = 0.053H atoms treated by a mixture of independent and constrained refinement
wR(F2) = 0.152Δρmax = 1.43 e Å3
S = 1.05Δρmin = 0.99 e Å3
43155 reflectionsAbsolute structure: ?
1866 parametersFlack parameter: ?
55 restraintsRogers parameter: ?
Special details top

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

Refinement. Refinement of F2 against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F2, conventional R-factors R are based on F, with F set to zero for negative F2. The threshold expression of F2 > σ(F2) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F2 are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/UeqOcc. (<1)
C1810.14393 (10)0.43500 (17)0.21835 (17)0.0714 (8)
C1820.18041 (12)0.46717 (16)0.18632 (17)0.0725 (9)
H1820.15870.49780.17280.087*
C1830.24866 (12)0.45451 (19)0.17406 (18)0.0876 (10)
H1830.27360.47650.15220.105*
C1840.28042 (10)0.40967 (19)0.1938 (2)0.1025 (11)
H1840.32710.40100.18550.123*
C1850.24395 (13)0.37750 (18)0.2259 (2)0.1012 (10)
H1850.26570.34690.23940.121*
C1860.17570 (13)0.39016 (18)0.23812 (19)0.0873 (9)
H1860.15080.36820.26000.105*
O190.1836 (3)0.8334 (3)0.1238 (3)0.0631 (15)0.50
C1870.1235 (3)0.8479 (4)0.0984 (4)0.077 (2)0.50
H18A0.11140.88380.13380.093*0.50
H18B0.08750.80770.07940.093*0.50
C1880.1356 (4)0.8703 (4)0.0452 (4)0.070 (2)0.50
H18C0.09550.88150.02580.105*0.50
H18D0.14740.83420.01060.105*0.50
H18E0.17170.90980.06480.105*0.50
C1890.1735 (5)0.8107 (6)0.1728 (5)0.098 (3)0.50
H18F0.13920.76900.15340.117*0.50
H18G0.16050.84510.20880.117*0.50
C1900.2406 (5)0.7985 (6)0.1977 (6)0.102 (3)0.50
H19A0.23910.78240.23230.154*0.50
H19B0.27360.84030.21590.154*0.50
H19C0.25250.76490.16090.154*0.50
C10.57231 (16)0.83998 (16)0.26418 (15)0.0344 (7)
C20.63930 (9)0.99152 (8)0.45993 (9)0.0312 (6)
C30.57380 (8)0.99575 (9)0.44256 (8)0.0379 (7)
H30.54310.95930.40690.046*
C40.55321 (8)1.05328 (11)0.47742 (10)0.0463 (9)
H40.50841.05620.46550.056*
C50.59811 (11)1.10659 (9)0.52964 (10)0.0481 (9)
H50.58401.14590.55350.058*
C60.66360 (9)1.10236 (9)0.54702 (9)0.0461 (8)
H60.69431.13880.58270.055*
C70.68420 (7)1.04483 (10)0.51216 (9)0.0368 (7)
H70.72901.04190.52400.044*
C80.61093 (9)0.84922 (9)0.41973 (10)0.0330 (7)
C90.57987 (11)0.86408 (9)0.47088 (9)0.0393 (8)
H90.58480.90920.50100.047*
C100.54166 (11)0.81294 (12)0.47794 (10)0.0499 (9)
H100.52040.82310.51290.060*
C110.53451 (11)0.74694 (10)0.43386 (12)0.0552 (10)
H110.50840.71200.43870.066*
C120.56557 (12)0.73208 (8)0.38271 (11)0.0543 (9)
H120.56070.68700.35260.065*
C130.60378 (11)0.78322 (10)0.37564 (9)0.0408 (8)
H130.62500.77310.34070.049*
C140.74426 (8)0.92469 (10)0.46391 (8)0.0321 (6)
C150.74770 (9)0.91243 (11)0.52025 (10)0.0421 (8)
H150.70940.89060.52600.050*
C160.80712 (12)0.93219 (12)0.56824 (8)0.0535 (10)
H160.80950.92380.60670.064*
C170.86311 (9)0.96420 (12)0.55989 (10)0.0560 (11)
H170.90370.97770.59270.067*
C180.85968 (8)0.97646 (12)0.50354 (11)0.0509 (9)
H180.89790.99830.49780.061*
C190.80026 (9)0.95671 (11)0.45556 (9)0.0402 (8)
H190.79790.96510.41710.048*
C200.76745 (14)0.73280 (14)0.23918 (14)0.0277 (6)
C210.82714 (14)0.79459 (13)0.25618 (13)0.0253 (6)
C220.76466 (14)0.71297 (15)0.29712 (14)0.0294 (6)
C230.76259 (15)0.76163 (15)0.35759 (14)0.0314 (6)
H230.76360.80630.36250.038*
C240.75911 (16)0.74548 (17)0.41073 (15)0.0371 (7)
H240.75860.77930.45190.045*
C250.75643 (18)0.68015 (17)0.40378 (16)0.0423 (8)
H250.75400.66900.44000.051*
C260.7573 (2)0.63168 (18)0.34410 (17)0.0474 (9)
H260.75490.58670.33890.057*
C270.76189 (18)0.64815 (16)0.29107 (16)0.0415 (8)
H270.76310.61430.25020.050*
C280.76360 (10)0.67045 (8)0.17628 (8)0.0317 (6)
C290.70394 (8)0.63975 (10)0.12864 (10)0.0414 (8)
H290.66620.65850.13390.050*
C300.69953 (10)0.58161 (10)0.07329 (9)0.0539 (10)
H300.65880.56060.04070.065*
C310.75479 (12)0.55416 (9)0.06559 (9)0.0518 (10)
H310.75180.51440.02780.062*
C320.81446 (10)0.58486 (10)0.11324 (10)0.0435 (8)
H320.85220.56610.10800.052*
C330.81887 (8)0.64300 (9)0.16858 (9)0.0368 (7)
H330.85960.66400.20110.044*
C340.86246 (14)0.78453 (14)0.20024 (14)0.0289 (6)
C350.82838 (16)0.77862 (15)0.13847 (14)0.0326 (6)
H350.78270.77920.13020.039*
C360.86027 (18)0.77191 (16)0.08858 (16)0.0403 (7)
H360.83640.76850.04690.048*
C370.92653 (18)0.77015 (17)0.09948 (17)0.0445 (8)
H370.94840.76640.06570.053*
C380.96053 (18)0.77392 (17)0.15953 (18)0.0439 (8)
H381.00570.77130.16680.053*
C390.92890 (16)0.78156 (17)0.20955 (17)0.0398 (8)
H390.95310.78480.25110.048*
C400.88030 (14)0.81697 (15)0.32105 (14)0.0281 (6)
C410.90873 (15)0.77224 (17)0.34205 (15)0.0349 (7)
H410.89070.72570.31900.042*
C420.96277 (17)0.7950 (2)0.39597 (18)0.0474 (9)
H420.98120.76400.40990.057*
C430.99033 (17)0.8625 (2)0.42983 (18)0.0501 (9)
H431.02770.87790.46680.060*
C440.96293 (17)0.90744 (19)0.40935 (17)0.0453 (8)
H440.98160.95390.43210.054*
C450.90819 (15)0.88456 (16)0.35559 (15)0.0351 (7)
H450.88950.91580.34220.042*
C460.67384 (14)0.86482 (15)0.13299 (13)0.0273 (6)
C470.62165 (14)0.83177 (16)0.07520 (14)0.0317 (6)
C480.60251 (16)0.86930 (17)0.03994 (14)0.0353 (7)
H480.56790.84850.00040.042*
C490.63162 (16)0.93487 (17)0.06013 (14)0.0370 (7)
C500.68016 (15)0.96774 (15)0.11859 (14)0.0307 (6)
H500.69861.01390.13370.037*
C510.70198 (14)0.93198 (14)0.15555 (13)0.0265 (6)
C520.75892 (14)0.97027 (14)0.21497 (13)0.0256 (6)
C530.82131 (14)0.95697 (14)0.21089 (14)0.0279 (6)
H530.82640.92150.17310.033*
C540.87523 (14)0.99607 (15)0.26254 (16)0.0320 (6)
C550.86843 (15)1.04907 (15)0.31751 (16)0.0327 (6)
H550.90651.07530.35230.039*
C560.80727 (14)1.06460 (14)0.32281 (14)0.0279 (6)
C570.75257 (13)1.02281 (14)0.27075 (13)0.0255 (6)
C580.58923 (16)0.75755 (17)0.04770 (15)0.0382 (7)
C590.52858 (19)0.7380 (2)0.01132 (18)0.0547 (10)
H59A0.50680.69140.02520.082*
H59B0.54270.74310.04830.082*
H59C0.49770.76710.00200.082*
C600.63865 (19)0.71500 (18)0.02257 (17)0.0469 (8)
H60A0.67780.72610.05900.070*
H60B0.65140.72420.01310.070*
H60C0.61830.66750.00580.070*
C610.56379 (18)0.74027 (19)0.09960 (17)0.0456 (8)
H61A0.60100.74790.13680.068*
H61B0.54100.69320.07960.068*
H61C0.53310.76860.11550.068*
C620.6526 (2)1.0214 (2)0.0235 (2)0.0568 (10)
H62A0.66021.05730.06780.085*
H62B0.63281.03640.01000.085*
H62C0.69461.00980.01650.085*
C630.94820 (18)0.93748 (18)0.2054 (2)0.0538 (10)
H63A0.92320.89390.19790.081*
H63B0.99510.93630.21100.081*
H63C0.93240.94780.16730.081*
C640.80299 (15)1.12667 (15)0.38167 (14)0.0311 (6)
C650.87094 (17)1.16401 (18)0.42862 (17)0.0472 (8)
H65A0.86651.20420.46460.071*
H65B0.89951.17690.40420.071*
H65C0.89041.13490.44710.071*
C660.77412 (19)1.17556 (17)0.35638 (17)0.0448 (8)
H66A0.72881.15480.32920.067*
H66B0.80091.18660.32960.067*
H66C0.77421.21650.39420.067*
C670.76009 (18)1.10851 (18)0.42264 (16)0.0447 (8)
H67A0.71591.08480.39410.067*
H67B0.75701.14940.45860.067*
H67C0.78001.07970.44130.067*
C680.53496 (14)1.05328 (16)0.28807 (14)0.0303 (6)
C690.53080 (14)1.01804 (15)0.20919 (13)0.0285 (6)
C700.54424 (10)1.12928 (8)0.32133 (9)0.0346 (7)
C710.58078 (11)1.16100 (10)0.38704 (9)0.0447 (8)
H710.60341.13650.40740.054*
C720.58424 (12)1.22864 (11)0.42292 (8)0.0572 (10)
H720.60921.25030.46780.069*
C730.55115 (13)1.26456 (8)0.39311 (11)0.0585 (10)
H730.55351.31080.41760.070*
C740.51461 (12)1.23284 (10)0.32741 (11)0.0494 (9)
H740.49201.25740.30700.059*
C750.51116 (10)1.16520 (10)0.29152 (8)0.0396 (7)
H750.48621.14350.24660.048*
C760.47551 (8)1.02122 (11)0.30545 (10)0.0369 (7)
C770.43269 (11)1.05876 (10)0.33438 (10)0.0470 (9)
H770.43901.10500.34350.056*
C780.38070 (10)1.02872 (14)0.34997 (11)0.0610 (12)
H780.35141.05440.36970.073*
C790.37154 (9)0.96113 (15)0.33662 (13)0.0712 (14)
H790.33600.94060.34730.085*
C800.41436 (12)0.92358 (11)0.30769 (13)0.0625 (12)
H800.40810.87740.29860.075*
C810.46635 (10)0.95362 (11)0.29210 (11)0.0447 (8)
H810.49560.92800.27230.054*
C820.55575 (9)1.06648 (9)0.17980 (9)0.0321 (7)
C830.61258 (9)1.11574 (10)0.21531 (8)0.0381 (7)
H830.63671.11880.25680.046*
C840.63407 (9)1.16046 (10)0.19014 (11)0.0488 (9)
H840.67291.19410.21440.059*
C850.59872 (12)1.15592 (12)0.12945 (12)0.0602 (11)
H850.61341.18650.11220.072*
C860.54189 (11)1.10666 (13)0.09394 (9)0.0538 (10)
H860.51771.10360.05250.065*
C870.52041 (9)1.06194 (10)0.11912 (9)0.0403 (8)
H870.48161.02830.09480.048*
C880.46316 (15)0.97476 (17)0.16744 (14)0.0337 (7)
C890.40626 (15)1.00146 (18)0.16901 (15)0.0378 (7)
H890.40981.04740.19580.045*
C900.34496 (17)0.9614 (2)0.13177 (17)0.0488 (9)
H900.30680.98000.13350.059*
C910.33892 (19)0.8947 (2)0.0922 (2)0.0615 (11)
H910.29670.86690.06780.074*
C920.3949 (2)0.8688 (2)0.0885 (2)0.0674 (12)
H920.39140.82350.05990.081*
C930.45604 (17)0.90829 (19)0.12602 (18)0.0495 (9)
H930.49400.88940.12330.059*
C940.14778 (17)0.42773 (16)0.31172 (15)0.0359 (7)
C950.07871 (9)0.25826 (7)0.38265 (9)0.0282 (6)
C960.09739 (9)0.25617 (8)0.44416 (7)0.0358 (7)
H960.12170.29530.48170.043*
C970.08046 (11)0.19684 (10)0.45073 (8)0.0436 (8)
H970.09320.19540.49280.052*
C980.04483 (11)0.13962 (8)0.39579 (11)0.0454 (9)
H980.03330.09910.40030.055*
C990.02615 (10)0.14171 (7)0.33428 (9)0.0413 (8)
H990.00180.10260.29670.050*
C1000.04309 (10)0.20103 (9)0.32772 (7)0.0341 (7)
H1000.03030.20250.28570.041*
C1010.01423 (15)0.36582 (15)0.40033 (13)0.0298 (6)
C1020.03515 (15)0.32549 (15)0.40886 (15)0.0338 (7)
H1020.03100.28180.40440.041*
C1030.09081 (17)0.34881 (17)0.42397 (17)0.0425 (8)
H1030.12460.32080.42960.051*
C1040.09737 (17)0.41216 (17)0.43088 (17)0.0429 (8)
H1040.13550.42790.44130.052*
C1050.04833 (18)0.45252 (17)0.42263 (17)0.0438 (8)
H1050.05260.49620.42730.053*
C1060.00737 (17)0.42973 (16)0.40760 (15)0.0364 (7)
H1060.04110.45800.40220.044*
C1070.15474 (16)0.39268 (15)0.44692 (14)0.0339 (7)
C1080.21837 (18)0.39996 (18)0.43974 (17)0.0465 (8)
H1080.22590.37860.39730.056*
C1090.2713 (2)0.4382 (2)0.4940 (2)0.0656 (12)
H1090.31490.44220.48890.079*
C1100.2598 (3)0.4703 (2)0.5555 (2)0.0666 (13)
H1100.29570.49710.59260.080*
C1110.1968 (2)0.46388 (18)0.56333 (17)0.0545 (11)
H1110.18940.48620.60570.065*
C1120.14446 (19)0.42505 (16)0.50976 (15)0.0427 (8)
H1120.10110.42020.51550.051*
C1130.20157 (13)0.16831 (14)0.19164 (13)0.0267 (6)
C1140.26218 (14)0.22995 (15)0.23807 (14)0.0306 (6)
C1150.19264 (9)0.11448 (8)0.21912 (10)0.0300 (6)
C1160.24282 (8)0.08072 (10)0.22697 (10)0.0407 (8)
H1160.28390.09350.21940.049*
C1170.23286 (10)0.02820 (10)0.24587 (11)0.0488 (9)
H1170.26720.00510.25120.059*
C1180.17271 (11)0.00945 (9)0.25692 (11)0.0476 (9)
H1180.16590.02640.26980.057*
C1190.12252 (9)0.04320 (10)0.24907 (11)0.0440 (8)
H1190.08140.03040.25660.053*
C1200.13249 (8)0.09572 (10)0.23018 (10)0.0348 (7)
H1200.09820.11880.22480.042*
C1210.20064 (14)0.13413 (15)0.11772 (14)0.0302 (6)
C1220.17908 (15)0.06569 (17)0.08276 (14)0.0363 (7)
H1220.16470.03960.10460.044*
C1230.17812 (17)0.03434 (18)0.01602 (15)0.0421 (8)
H1230.16300.01270.00720.051*
C1240.19894 (17)0.07119 (19)0.01630 (15)0.0446 (8)
H1240.19890.04970.06160.054*
C1250.21982 (17)0.13913 (18)0.01714 (15)0.0406 (8)
H1250.23400.16470.00520.049*
C1260.22042 (15)0.17098 (17)0.08366 (14)0.0344 (7)
H1260.23440.21820.10610.041*
C1270.32285 (15)0.23608 (19)0.21114 (15)0.0379 (7)
C1280.35709 (18)0.2994 (2)0.22595 (19)0.0531 (10)
H1280.34100.33740.24950.064*
C1290.4154 (2)0.3080 (3)0.2066 (2)0.0728 (14)
H1290.43830.35170.21650.087*
C1300.4396 (2)0.2531 (3)0.1731 (2)0.0730 (15)
H1300.47960.25900.16080.088*
C1310.40539 (19)0.1898 (3)0.15759 (18)0.0617 (13)
H1310.42130.15180.13370.074*
C1320.34760 (17)0.1815 (2)0.17701 (16)0.0472 (9)
H1320.32470.13770.16670.057*
C1330.28359 (14)0.23236 (16)0.30859 (14)0.0325 (6)
C1340.23849 (15)0.23868 (17)0.34682 (15)0.0357 (7)
H1340.19520.24250.32970.043*
C1350.25592 (16)0.23949 (18)0.40963 (15)0.0416 (8)
H1350.22450.24380.43510.050*
C1360.31843 (17)0.23402 (19)0.43509 (16)0.0438 (8)
H1360.33030.23440.47800.053*
C1370.36367 (17)0.2280 (2)0.39774 (17)0.0505 (9)
H1370.40700.22440.41510.061*
C1380.34619 (16)0.2270 (2)0.33488 (16)0.0448 (8)
H1380.37770.22260.30960.054*
C1390.11452 (14)0.30685 (13)0.11023 (13)0.0249 (6)
C1400.14003 (15)0.35849 (14)0.09394 (14)0.0302 (6)
C1410.09580 (16)0.37419 (15)0.04957 (14)0.0333 (7)
H1410.11150.40820.03690.040*
C1420.03095 (16)0.34220 (15)0.02404 (13)0.0313 (7)
C1430.00610 (15)0.29394 (15)0.04343 (13)0.0286 (6)
H1430.03930.27310.02720.034*
C1440.04787 (14)0.27602 (13)0.08684 (12)0.0244 (6)
C1450.01722 (13)0.22148 (13)0.10247 (12)0.0238 (5)
C1460.03493 (13)0.15995 (14)0.07974 (13)0.0253 (6)
H1460.06820.15330.05640.030*
C1470.00396 (14)0.10776 (14)0.09116 (13)0.0274 (6)
C1480.04746 (14)0.11583 (14)0.12117 (13)0.0283 (6)
H1480.06930.07910.12680.034*
C1490.06831 (14)0.17682 (14)0.14359 (13)0.0271 (6)
C1500.03293 (14)0.23007 (13)0.13598 (13)0.0253 (6)
C1510.21271 (17)0.39603 (16)0.11998 (16)0.0382 (7)
C1520.23336 (19)0.42886 (19)0.19566 (17)0.0486 (9)
H15A0.23130.39420.21270.073*
H15B0.20350.45820.21190.073*
H15C0.27850.45520.21090.073*
C1530.2238 (2)0.4533 (2)0.0976 (2)0.0572 (10)
H15D0.19460.48390.11260.086*
H15E0.21420.43470.04910.086*
H15F0.26980.47770.11680.086*
C1540.25774 (18)0.34884 (19)0.0937 (2)0.0536 (10)
H15G0.30330.37410.10850.080*
H15H0.24400.32800.04520.080*
H15I0.25490.31410.11050.080*
C1550.0104 (2)0.40039 (19)0.04448 (18)0.0515 (10)
H15J0.02480.44440.00710.077*
H15K0.02500.40200.07860.077*
H15L0.04760.38810.06300.077*
C1560.00040 (17)0.00332 (15)0.08294 (17)0.0402 (7)
H15M0.00300.01200.13040.060*
H15N0.02310.03980.06890.060*
H15O0.04690.01930.05820.060*
C1570.12895 (15)0.18259 (15)0.17211 (15)0.0333 (6)
C1580.16003 (18)0.11615 (17)0.17183 (18)0.0461 (8)
H15P0.17310.08150.12640.069*
H15Q0.19890.12150.18930.069*
H15R0.12790.10300.19960.069*
C1590.18161 (16)0.2013 (2)0.12850 (18)0.0481 (9)
H15S0.19150.16860.08240.072*
H15T0.16500.24590.13140.072*
H15U0.22180.20140.14400.072*
C1600.11179 (17)0.23403 (16)0.24380 (15)0.0387 (7)
H16A0.15230.23950.25840.058*
H16B0.08930.27700.24710.058*
H16C0.08270.21870.27200.058*
C1610.03418 (15)0.45161 (14)0.17801 (14)0.0296 (6)
C1620.06867 (16)0.45134 (15)0.23706 (14)0.0339 (7)
C1630.00807 (16)0.51957 (15)0.19385 (14)0.0326 (7)
C1640.01801 (17)0.57729 (15)0.21039 (14)0.0351 (7)
H1640.06270.57450.21230.042*
C1650.0205 (2)0.63833 (16)0.22394 (16)0.0451 (8)
H1650.00200.67700.23500.054*
C1660.0854 (2)0.64360 (18)0.22156 (19)0.0510 (9)
H1660.11210.68570.23190.061*
C1670.1110 (2)0.58625 (18)0.20382 (19)0.0513 (9)
H1670.15540.58910.20100.062*
C1680.07275 (17)0.52500 (16)0.19012 (16)0.0384 (7)
H1680.09120.48630.17800.046*
C1690.08256 (15)0.42383 (15)0.10878 (14)0.0315 (6)
C1700.12519 (16)0.36185 (17)0.08348 (17)0.0404 (7)
H1700.12430.33640.10920.048*
C1710.16906 (18)0.33647 (19)0.02126 (19)0.0496 (9)
H1710.19720.29370.00470.059*
C1720.1721 (2)0.3727 (2)0.01670 (18)0.0519 (9)
H1720.20290.35580.05880.062*
C1730.12977 (19)0.43401 (19)0.00750 (16)0.0459 (9)
H1730.13120.45930.01840.055*
C1740.08501 (17)0.45926 (16)0.06938 (14)0.0369 (7)
H1740.05570.50120.08490.044*
C1750.04194 (11)0.51649 (8)0.30102 (9)0.0416 (8)
C1760.02482 (11)0.53268 (10)0.33272 (10)0.0450 (9)
H1760.05270.50360.31550.054*
C1770.05072 (12)0.59142 (11)0.38958 (10)0.0607 (11)
H1770.09630.60250.41120.073*
C1780.00987 (16)0.63398 (9)0.41475 (9)0.0757 (16)
H1780.02760.67410.45360.091*
C1790.05689 (15)0.61779 (11)0.38305 (12)0.0752 (16)
H1790.08480.64690.40030.090*
C1800.08280 (11)0.55904 (12)0.32619 (11)0.0553 (11)
H1800.12840.54800.30450.066*
O10.52189 (12)0.80423 (14)0.24419 (13)0.0511 (6)
O20.70751 (9)0.75800 (10)0.22791 (9)0.0278 (4)
O30.79497 (9)0.85067 (9)0.26313 (9)0.0242 (4)
O40.70120 (10)0.82558 (10)0.16318 (9)0.0279 (4)
O50.60947 (13)0.96466 (13)0.01826 (11)0.0490 (6)
O60.93927 (11)0.98817 (11)0.26420 (13)0.0479 (6)
O70.59318 (9)1.03691 (10)0.31967 (9)0.0291 (4)
O80.57541 (9)0.97188 (10)0.20592 (9)0.0284 (4)
O90.69029 (9)1.03652 (10)0.27378 (9)0.0272 (4)
O100.18001 (15)0.48054 (13)0.33593 (13)0.0581 (7)
O110.14430 (9)0.19901 (9)0.19634 (9)0.0245 (4)
O120.23554 (9)0.28976 (10)0.24581 (10)0.0296 (4)
O130.15871 (9)0.28411 (10)0.14680 (9)0.0266 (4)
O140.01313 (12)0.35224 (11)0.02241 (10)0.0406 (5)
O150.02806 (11)0.05070 (10)0.07027 (11)0.0349 (5)
O160.01124 (10)0.40691 (10)0.17689 (9)0.0291 (4)
O170.04602 (10)0.39883 (10)0.25383 (9)0.0299 (4)
O180.04884 (9)0.29258 (9)0.16054 (9)0.0270 (4)
P10.66318 (4)0.91475 (4)0.40864 (3)0.02728 (16)
P20.71557 (3)0.83615 (4)0.24085 (3)0.02297 (14)
P30.62843 (3)0.98398 (4)0.27309 (3)0.02525 (15)
P40.08712 (4)0.33859 (4)0.37468 (3)0.02542 (15)
P50.00459 (4)0.35991 (4)0.21620 (3)0.02480 (15)
P60.15651 (3)0.27847 (4)0.21677 (3)0.02324 (14)
Rh10.656131 (10)0.900667 (11)0.300209 (10)0.02435 (6)
Rh20.093304 (11)0.340364 (10)0.273920 (10)0.02364 (6)
O200.1879 (3)0.7752 (3)0.3581 (3)0.0785 (18)*0.50
C1920.1299 (5)0.8518 (4)0.3392 (5)0.072 (2)*0.50
H19D0.09420.87540.34840.108*0.50
H19E0.12090.82490.29150.108*0.50
H19F0.17160.88430.35440.108*0.50
C1910.1348 (5)0.8064 (5)0.3754 (5)0.090 (3)*0.50
H19G0.14450.83260.42380.108*0.50
H19H0.09330.77270.36050.108*0.50
C1930.1918 (5)0.7289 (5)0.3884 (5)0.080 (3)*0.50
H19I0.15030.69490.37090.096*0.50
H19J0.19960.75260.43700.096*0.50
C1940.2489 (7)0.6960 (8)0.3717 (8)0.149 (6)*0.50
H19K0.25310.66350.39120.223*0.50
H19L0.28980.73020.38970.223*0.50
H19M0.24080.67320.32350.223*0.50
H10.7142 (18)0.9498 (19)0.3316 (18)0.059 (11)*
H20.0502 (18)0.2781 (18)0.2480 (18)0.053 (10)*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
C1810.0609 (15)0.121 (2)0.118 (2)0.0685 (15)0.0693 (15)0.1035 (18)
C1820.0620 (15)0.122 (2)0.117 (2)0.0701 (15)0.0668 (15)0.1016 (18)
C1830.0664 (16)0.135 (2)0.136 (2)0.0651 (16)0.0603 (16)0.1062 (19)
C1840.0700 (17)0.146 (2)0.156 (2)0.0570 (17)0.0570 (18)0.108 (2)
C1850.0713 (17)0.145 (2)0.156 (2)0.0539 (17)0.0593 (18)0.112 (2)
C1860.0657 (16)0.134 (2)0.141 (2)0.0604 (16)0.0646 (16)0.1103 (19)
O190.076 (4)0.057 (3)0.050 (3)0.003 (3)0.008 (3)0.023 (3)
C1870.046 (4)0.087 (5)0.049 (4)0.000 (4)0.009 (3)0.019 (4)
C1880.045 (4)0.078 (5)0.054 (4)0.013 (3)0.000 (3)0.001 (4)
C1890.109 (7)0.083 (6)0.108 (7)0.008 (5)0.051 (6)0.039 (5)
C1900.119 (7)0.086 (6)0.105 (7)0.014 (6)0.038 (6)0.041 (5)
C10.0407 (18)0.0461 (18)0.0263 (15)0.0199 (15)0.0142 (13)0.0196 (14)
C20.0409 (16)0.0474 (17)0.0225 (14)0.0272 (14)0.0195 (12)0.0220 (13)
C30.0405 (17)0.057 (2)0.0284 (15)0.0284 (16)0.0149 (13)0.0217 (15)
C40.049 (2)0.071 (2)0.0385 (18)0.0440 (19)0.0232 (16)0.0289 (18)
C50.070 (2)0.057 (2)0.0386 (19)0.043 (2)0.0303 (18)0.0261 (17)
C60.058 (2)0.052 (2)0.0368 (18)0.0292 (18)0.0206 (16)0.0187 (16)
C70.0407 (17)0.0500 (19)0.0315 (16)0.0234 (15)0.0176 (14)0.0213 (15)
C80.0360 (16)0.0509 (18)0.0315 (16)0.0242 (14)0.0175 (13)0.0289 (14)
C90.0427 (18)0.061 (2)0.0394 (18)0.0313 (16)0.0236 (14)0.0360 (16)
C100.0444 (19)0.086 (3)0.056 (2)0.0340 (19)0.0300 (17)0.054 (2)
C110.052 (2)0.076 (3)0.067 (3)0.018 (2)0.0246 (19)0.054 (2)
C120.065 (2)0.056 (2)0.055 (2)0.0167 (19)0.0232 (19)0.0324 (19)
C130.0453 (19)0.056 (2)0.0376 (18)0.0211 (16)0.0200 (15)0.0294 (16)
C140.0359 (16)0.0439 (17)0.0233 (14)0.0264 (14)0.0101 (12)0.0147 (13)
C150.055 (2)0.052 (2)0.0304 (16)0.0295 (17)0.0125 (15)0.0226 (15)
C160.075 (3)0.058 (2)0.0282 (17)0.037 (2)0.0015 (17)0.0183 (16)
C170.050 (2)0.060 (2)0.045 (2)0.0329 (19)0.0060 (17)0.0110 (18)
C180.0366 (18)0.063 (2)0.048 (2)0.0237 (17)0.0061 (16)0.0166 (18)
C190.0351 (17)0.057 (2)0.0337 (17)0.0265 (15)0.0114 (13)0.0177 (15)
C200.0355 (15)0.0343 (15)0.0280 (14)0.0214 (13)0.0175 (12)0.0199 (12)
C210.0324 (14)0.0299 (14)0.0267 (14)0.0206 (12)0.0153 (11)0.0178 (12)
C220.0368 (16)0.0377 (16)0.0277 (15)0.0193 (13)0.0166 (12)0.0212 (13)
C230.0391 (16)0.0371 (16)0.0294 (15)0.0187 (13)0.0157 (13)0.0198 (13)
C240.0489 (19)0.0472 (18)0.0298 (16)0.0233 (15)0.0211 (14)0.0223 (14)
C250.060 (2)0.052 (2)0.0330 (17)0.0222 (17)0.0205 (15)0.0306 (16)
C260.081 (3)0.0427 (19)0.0395 (19)0.0265 (18)0.0275 (18)0.0296 (16)
C270.069 (2)0.0379 (17)0.0326 (17)0.0238 (16)0.0250 (16)0.0206 (14)
C280.0499 (18)0.0335 (15)0.0267 (15)0.0192 (14)0.0207 (13)0.0202 (13)
C290.054 (2)0.0406 (18)0.0350 (17)0.0171 (16)0.0156 (15)0.0176 (14)
C300.076 (3)0.044 (2)0.0353 (19)0.0112 (19)0.0073 (18)0.0142 (16)
C310.096 (3)0.0365 (18)0.0358 (19)0.026 (2)0.034 (2)0.0168 (15)
C320.075 (2)0.0365 (17)0.0366 (18)0.0293 (17)0.0317 (18)0.0210 (15)
C330.055 (2)0.0360 (16)0.0351 (17)0.0249 (15)0.0243 (15)0.0209 (14)
C340.0375 (16)0.0328 (15)0.0308 (15)0.0199 (13)0.0205 (12)0.0191 (12)
C350.0427 (17)0.0370 (16)0.0303 (15)0.0204 (14)0.0206 (13)0.0181 (13)
C360.059 (2)0.0450 (18)0.0279 (16)0.0231 (16)0.0249 (15)0.0171 (14)
C370.064 (2)0.0435 (18)0.046 (2)0.0289 (17)0.0417 (18)0.0217 (16)
C380.050 (2)0.053 (2)0.054 (2)0.0325 (17)0.0356 (17)0.0309 (17)
C390.0446 (18)0.055 (2)0.0442 (19)0.0326 (16)0.0262 (15)0.0332 (16)
C400.0295 (14)0.0429 (16)0.0263 (14)0.0191 (13)0.0155 (11)0.0223 (13)
C410.0361 (16)0.0475 (18)0.0370 (17)0.0214 (14)0.0165 (13)0.0273 (15)
C420.0410 (18)0.076 (3)0.053 (2)0.0300 (18)0.0165 (16)0.049 (2)
C430.0369 (18)0.078 (3)0.043 (2)0.0192 (18)0.0040 (15)0.034 (2)
C440.0378 (18)0.053 (2)0.0430 (19)0.0144 (16)0.0064 (15)0.0189 (16)
C450.0343 (16)0.0454 (18)0.0355 (16)0.0208 (14)0.0127 (13)0.0219 (14)
C460.0323 (14)0.0442 (17)0.0199 (13)0.0216 (13)0.0145 (11)0.0210 (12)
C470.0339 (15)0.0491 (18)0.0212 (14)0.0199 (14)0.0137 (12)0.0178 (13)
C480.0398 (17)0.0525 (19)0.0204 (14)0.0209 (15)0.0088 (12)0.0188 (14)
C490.0460 (18)0.059 (2)0.0245 (15)0.0318 (16)0.0160 (13)0.0275 (15)
C500.0414 (16)0.0386 (16)0.0252 (14)0.0226 (13)0.0172 (12)0.0190 (13)
C510.0318 (14)0.0413 (16)0.0194 (13)0.0221 (13)0.0154 (11)0.0179 (12)
C520.0327 (14)0.0342 (15)0.0236 (13)0.0160 (12)0.0142 (11)0.0205 (12)
C530.0358 (15)0.0301 (14)0.0315 (15)0.0166 (12)0.0196 (12)0.0194 (12)
C540.0266 (14)0.0334 (15)0.0483 (18)0.0160 (12)0.0176 (13)0.0233 (14)
C550.0293 (15)0.0330 (15)0.0400 (17)0.0110 (12)0.0108 (13)0.0175 (13)
C560.0342 (15)0.0327 (15)0.0284 (14)0.0153 (12)0.0137 (12)0.0198 (12)
C570.0277 (14)0.0357 (15)0.0287 (14)0.0179 (12)0.0158 (11)0.0226 (12)
C580.0424 (18)0.0500 (19)0.0231 (15)0.0134 (15)0.0080 (13)0.0151 (14)
C590.053 (2)0.067 (3)0.037 (2)0.0063 (19)0.0002 (17)0.0216 (18)
C600.059 (2)0.049 (2)0.0350 (18)0.0186 (17)0.0185 (16)0.0151 (16)
C610.046 (2)0.057 (2)0.0349 (18)0.0040 (17)0.0125 (15)0.0210 (16)
C620.075 (3)0.076 (3)0.055 (2)0.042 (2)0.029 (2)0.051 (2)
C630.0404 (19)0.048 (2)0.085 (3)0.0241 (17)0.040 (2)0.025 (2)
C640.0345 (15)0.0347 (16)0.0290 (15)0.0136 (13)0.0116 (12)0.0151 (13)
C650.046 (2)0.047 (2)0.0424 (19)0.0148 (16)0.0108 (16)0.0112 (16)
C660.059 (2)0.0374 (18)0.0428 (19)0.0224 (16)0.0139 (16)0.0180 (15)
C670.056 (2)0.048 (2)0.0325 (17)0.0127 (17)0.0229 (16)0.0129 (15)
C680.0300 (14)0.0508 (18)0.0247 (14)0.0284 (14)0.0137 (11)0.0221 (13)
C690.0305 (14)0.0445 (17)0.0246 (14)0.0247 (13)0.0144 (11)0.0209 (13)
C700.0365 (16)0.0479 (18)0.0295 (15)0.0257 (14)0.0155 (13)0.0185 (14)
C710.049 (2)0.057 (2)0.0358 (18)0.0295 (17)0.0150 (15)0.0197 (16)
C720.062 (2)0.056 (2)0.045 (2)0.022 (2)0.0105 (18)0.0102 (18)
C730.064 (3)0.044 (2)0.067 (3)0.0252 (19)0.020 (2)0.0178 (19)
C740.050 (2)0.053 (2)0.056 (2)0.0299 (18)0.0175 (17)0.0269 (18)
C750.0416 (18)0.052 (2)0.0358 (17)0.0290 (16)0.0154 (14)0.0209 (15)
C760.0282 (15)0.071 (2)0.0223 (14)0.0231 (15)0.0111 (12)0.0253 (15)
C770.0364 (17)0.085 (3)0.0270 (16)0.0288 (18)0.0145 (14)0.0237 (17)
C780.0369 (19)0.121 (4)0.0335 (19)0.027 (2)0.0194 (15)0.033 (2)
C790.038 (2)0.146 (5)0.055 (3)0.016 (3)0.0172 (18)0.066 (3)
C800.041 (2)0.102 (3)0.067 (3)0.012 (2)0.0089 (19)0.062 (3)
C810.0364 (17)0.069 (2)0.0442 (19)0.0195 (17)0.0119 (15)0.0368 (18)
C820.0351 (16)0.0506 (18)0.0295 (15)0.0307 (14)0.0197 (13)0.0247 (14)
C830.0425 (18)0.0520 (19)0.0403 (18)0.0294 (16)0.0205 (14)0.0306 (16)
C840.050 (2)0.059 (2)0.062 (2)0.0271 (18)0.0256 (18)0.041 (2)
C850.071 (3)0.083 (3)0.072 (3)0.045 (2)0.042 (2)0.062 (3)
C860.057 (2)0.094 (3)0.046 (2)0.044 (2)0.0275 (18)0.052 (2)
C870.0414 (17)0.068 (2)0.0326 (16)0.0323 (17)0.0208 (14)0.0314 (16)
C880.0323 (15)0.0545 (19)0.0252 (15)0.0219 (14)0.0118 (12)0.0223 (14)
C890.0379 (17)0.062 (2)0.0246 (15)0.0278 (16)0.0144 (13)0.0213 (15)
C900.0356 (18)0.088 (3)0.0340 (18)0.0278 (18)0.0147 (14)0.0298 (19)
C910.036 (2)0.078 (3)0.058 (3)0.009 (2)0.0026 (18)0.021 (2)
C920.052 (2)0.064 (3)0.069 (3)0.016 (2)0.001 (2)0.015 (2)
C930.0393 (19)0.058 (2)0.049 (2)0.0237 (17)0.0073 (16)0.0171 (18)
C940.0490 (19)0.0381 (18)0.0285 (16)0.0131 (15)0.0219 (14)0.0154 (14)
C950.0362 (15)0.0338 (15)0.0322 (15)0.0215 (13)0.0237 (13)0.0212 (13)
C960.0428 (17)0.0465 (18)0.0378 (17)0.0253 (15)0.0214 (14)0.0287 (15)
C970.0469 (19)0.060 (2)0.055 (2)0.0274 (17)0.0243 (17)0.0467 (19)
C980.0460 (19)0.047 (2)0.073 (3)0.0251 (16)0.0301 (18)0.045 (2)
C990.0453 (19)0.0349 (17)0.057 (2)0.0178 (15)0.0260 (16)0.0237 (16)
C1000.0459 (18)0.0324 (16)0.0352 (16)0.0173 (14)0.0216 (14)0.0177 (13)
C1010.0463 (17)0.0374 (16)0.0197 (13)0.0239 (14)0.0200 (12)0.0169 (12)
C1020.0447 (17)0.0325 (15)0.0368 (16)0.0200 (14)0.0231 (14)0.0185 (13)
C1030.0460 (19)0.0469 (19)0.050 (2)0.0223 (16)0.0297 (16)0.0243 (16)
C1040.052 (2)0.053 (2)0.0449 (19)0.0348 (17)0.0319 (16)0.0270 (16)
C1050.069 (2)0.0444 (19)0.0454 (19)0.0391 (18)0.0366 (18)0.0294 (16)
C1060.0551 (19)0.0400 (17)0.0359 (16)0.0274 (15)0.0309 (15)0.0248 (14)
C1070.0533 (19)0.0327 (15)0.0231 (14)0.0180 (14)0.0133 (13)0.0151 (12)
C1080.056 (2)0.053 (2)0.0327 (18)0.0071 (17)0.0129 (16)0.0198 (16)
C1090.061 (3)0.076 (3)0.056 (3)0.006 (2)0.002 (2)0.035 (2)
C1100.098 (4)0.046 (2)0.037 (2)0.004 (2)0.011 (2)0.0163 (18)
C1110.098 (3)0.0384 (19)0.0249 (17)0.029 (2)0.0071 (19)0.0102 (14)
C1120.070 (2)0.0406 (18)0.0272 (16)0.0324 (17)0.0151 (15)0.0175 (14)
C1130.0287 (14)0.0385 (15)0.0242 (14)0.0237 (12)0.0140 (11)0.0169 (12)
C1140.0322 (15)0.0459 (17)0.0269 (15)0.0230 (13)0.0166 (12)0.0206 (13)
C1150.0421 (16)0.0384 (16)0.0169 (13)0.0239 (13)0.0114 (12)0.0131 (12)
C1160.0499 (19)0.0492 (19)0.0361 (17)0.0312 (16)0.0166 (15)0.0230 (15)
C1170.072 (2)0.053 (2)0.0348 (18)0.0419 (19)0.0136 (17)0.0245 (16)
C1180.081 (3)0.0444 (19)0.0333 (18)0.0318 (19)0.0202 (17)0.0245 (15)
C1190.064 (2)0.0445 (19)0.0392 (18)0.0245 (17)0.0234 (16)0.0249 (16)
C1200.0453 (18)0.0415 (17)0.0306 (16)0.0237 (14)0.0170 (13)0.0209 (14)
C1210.0329 (15)0.0447 (17)0.0255 (14)0.0259 (13)0.0157 (12)0.0189 (13)
C1220.0410 (17)0.0510 (19)0.0270 (15)0.0246 (15)0.0180 (13)0.0180 (14)
C1230.0490 (19)0.049 (2)0.0268 (16)0.0207 (16)0.0156 (14)0.0088 (14)
C1240.050 (2)0.066 (2)0.0228 (15)0.0302 (18)0.0187 (14)0.0144 (15)
C1250.0503 (19)0.061 (2)0.0316 (16)0.0344 (17)0.0244 (15)0.0290 (16)
C1260.0387 (16)0.0501 (18)0.0273 (15)0.0284 (15)0.0164 (13)0.0206 (14)
C1270.0298 (15)0.071 (2)0.0287 (16)0.0232 (16)0.0152 (12)0.0298 (16)
C1280.042 (2)0.084 (3)0.059 (2)0.024 (2)0.0257 (18)0.048 (2)
C1290.045 (2)0.122 (4)0.089 (3)0.019 (2)0.029 (2)0.078 (3)
C1300.043 (2)0.159 (5)0.067 (3)0.048 (3)0.038 (2)0.080 (3)
C1310.044 (2)0.131 (4)0.040 (2)0.052 (3)0.0259 (17)0.050 (2)
C1320.0417 (18)0.090 (3)0.0295 (17)0.0379 (19)0.0197 (14)0.0329 (18)
C1330.0316 (15)0.0476 (18)0.0267 (15)0.0174 (14)0.0126 (12)0.0192 (13)
C1340.0328 (16)0.0545 (19)0.0279 (15)0.0203 (14)0.0132 (13)0.0198 (14)
C1350.0412 (18)0.070 (2)0.0273 (16)0.0264 (17)0.0203 (14)0.0251 (16)
C1360.0445 (19)0.073 (2)0.0258 (16)0.0245 (17)0.0130 (14)0.0272 (16)
C1370.0407 (19)0.092 (3)0.0358 (18)0.0309 (19)0.0137 (15)0.0376 (19)
C1380.0359 (17)0.082 (3)0.0324 (17)0.0258 (17)0.0179 (14)0.0327 (18)
C1390.0374 (15)0.0291 (14)0.0199 (13)0.0179 (12)0.0173 (11)0.0145 (11)
C1400.0437 (17)0.0331 (15)0.0264 (14)0.0175 (13)0.0225 (13)0.0167 (12)
C1410.056 (2)0.0320 (15)0.0288 (15)0.0221 (14)0.0275 (14)0.0192 (13)
C1420.0500 (18)0.0410 (16)0.0210 (14)0.0282 (15)0.0225 (13)0.0205 (12)
C1430.0365 (15)0.0400 (16)0.0228 (14)0.0229 (13)0.0187 (12)0.0178 (12)
C1440.0388 (15)0.0277 (13)0.0191 (13)0.0188 (12)0.0205 (11)0.0134 (11)
C1450.0305 (14)0.0314 (14)0.0160 (12)0.0132 (11)0.0096 (10)0.0129 (11)
C1460.0298 (14)0.0339 (15)0.0198 (13)0.0148 (12)0.0122 (11)0.0143 (11)
C1470.0319 (15)0.0307 (14)0.0243 (14)0.0132 (12)0.0095 (11)0.0134 (12)
C1480.0349 (15)0.0299 (14)0.0251 (14)0.0081 (12)0.0113 (12)0.0145 (12)
C1490.0285 (14)0.0376 (15)0.0194 (13)0.0103 (12)0.0110 (11)0.0131 (12)
C1500.0347 (15)0.0295 (14)0.0195 (13)0.0164 (12)0.0131 (11)0.0128 (11)
C1510.0514 (19)0.0390 (17)0.0353 (17)0.0104 (15)0.0225 (15)0.0216 (14)
C1520.057 (2)0.050 (2)0.0402 (19)0.0036 (17)0.0167 (17)0.0205 (17)
C1530.066 (3)0.064 (2)0.058 (2)0.005 (2)0.025 (2)0.041 (2)
C1540.044 (2)0.056 (2)0.061 (2)0.0078 (17)0.0313 (18)0.0175 (19)
C1550.080 (3)0.068 (2)0.045 (2)0.043 (2)0.0354 (19)0.0468 (19)
C1560.053 (2)0.0310 (16)0.0438 (19)0.0143 (15)0.0149 (15)0.0199 (14)
C1570.0358 (16)0.0400 (17)0.0297 (15)0.0115 (13)0.0189 (13)0.0145 (13)
C1580.051 (2)0.047 (2)0.047 (2)0.0067 (16)0.0305 (17)0.0178 (16)
C1590.0359 (18)0.075 (3)0.048 (2)0.0199 (17)0.0197 (15)0.0332 (19)
C1600.0478 (19)0.0448 (18)0.0331 (17)0.0148 (15)0.0254 (14)0.0177 (14)
C1610.0469 (17)0.0334 (15)0.0285 (14)0.0293 (13)0.0255 (13)0.0207 (12)
C1620.0541 (19)0.0406 (16)0.0315 (15)0.0337 (15)0.0296 (14)0.0253 (14)
C1630.0529 (19)0.0356 (16)0.0242 (14)0.0226 (14)0.0206 (13)0.0193 (13)
C1640.0551 (19)0.0395 (17)0.0265 (15)0.0267 (15)0.0196 (14)0.0211 (13)
C1650.077 (3)0.0346 (17)0.0343 (17)0.0279 (17)0.0217 (17)0.0170 (14)
C1660.071 (3)0.0356 (18)0.050 (2)0.0115 (18)0.0214 (19)0.0195 (16)
C1670.056 (2)0.046 (2)0.060 (2)0.0163 (18)0.0272 (19)0.0241 (18)
C1680.0508 (19)0.0379 (17)0.0375 (17)0.0202 (15)0.0221 (15)0.0190 (14)
C1690.0433 (17)0.0396 (16)0.0300 (15)0.0274 (14)0.0235 (13)0.0217 (13)
C1700.0426 (18)0.0448 (19)0.0460 (19)0.0203 (15)0.0141 (15)0.0272 (16)
C1710.047 (2)0.051 (2)0.053 (2)0.0175 (17)0.0094 (17)0.0229 (18)
C1720.060 (2)0.066 (3)0.0357 (19)0.030 (2)0.0115 (17)0.0229 (18)
C1730.067 (2)0.059 (2)0.0293 (17)0.0350 (19)0.0222 (16)0.0260 (16)
C1740.059 (2)0.0413 (17)0.0263 (15)0.0279 (16)0.0236 (14)0.0195 (13)
C1750.084 (3)0.0366 (17)0.0342 (17)0.0375 (17)0.0426 (18)0.0264 (14)
C1760.083 (3)0.0365 (17)0.0323 (17)0.0285 (18)0.0303 (18)0.0206 (14)
C1770.115 (4)0.045 (2)0.0317 (19)0.024 (2)0.024 (2)0.0209 (16)
C1780.174 (5)0.041 (2)0.032 (2)0.050 (3)0.044 (3)0.0204 (17)
C1790.164 (5)0.061 (3)0.046 (2)0.075 (3)0.069 (3)0.036 (2)
C1800.108 (3)0.053 (2)0.043 (2)0.054 (2)0.053 (2)0.0335 (18)
O10.0388 (14)0.0633 (17)0.0517 (15)0.0057 (13)0.0115 (12)0.0259 (13)
O20.0296 (10)0.0352 (11)0.0291 (10)0.0170 (9)0.0132 (8)0.0187 (9)
O30.0290 (10)0.0297 (10)0.0243 (9)0.0179 (8)0.0131 (8)0.0159 (8)
O40.0359 (11)0.0397 (11)0.0201 (9)0.0217 (9)0.0134 (8)0.0184 (8)
O50.0640 (16)0.0652 (16)0.0346 (13)0.0304 (13)0.0087 (11)0.0356 (12)
O60.0279 (11)0.0389 (13)0.0750 (17)0.0166 (10)0.0203 (11)0.0154 (12)
O70.0301 (10)0.0478 (12)0.0201 (9)0.0259 (9)0.0109 (8)0.0181 (9)
O80.0289 (10)0.0435 (11)0.0239 (10)0.0235 (9)0.0129 (8)0.0182 (9)
O90.0282 (10)0.0383 (11)0.0272 (10)0.0202 (9)0.0132 (8)0.0199 (9)
O100.082 (2)0.0387 (14)0.0507 (16)0.0007 (14)0.0295 (14)0.0134 (12)
O110.0275 (10)0.0329 (10)0.0239 (9)0.0185 (8)0.0138 (8)0.0165 (8)
O120.0287 (10)0.0367 (11)0.0303 (11)0.0149 (9)0.0120 (8)0.0167 (9)
O130.0346 (10)0.0356 (11)0.0235 (10)0.0194 (9)0.0169 (8)0.0189 (8)
O140.0606 (14)0.0544 (14)0.0345 (12)0.0354 (12)0.0264 (11)0.0343 (11)
O150.0443 (12)0.0293 (11)0.0412 (12)0.0169 (9)0.0201 (10)0.0184 (9)
O160.0439 (12)0.0342 (11)0.0295 (10)0.0266 (9)0.0247 (9)0.0220 (9)
O170.0474 (12)0.0356 (11)0.0282 (10)0.0283 (9)0.0261 (9)0.0225 (9)
O180.0344 (10)0.0332 (10)0.0255 (10)0.0193 (9)0.0168 (8)0.0170 (8)
P10.0307 (4)0.0428 (4)0.0218 (3)0.0228 (3)0.0146 (3)0.0197 (3)
P20.0281 (4)0.0322 (4)0.0192 (3)0.0166 (3)0.0120 (3)0.0160 (3)
P30.0261 (3)0.0400 (4)0.0210 (3)0.0202 (3)0.0116 (3)0.0182 (3)
P40.0376 (4)0.0287 (4)0.0208 (3)0.0179 (3)0.0170 (3)0.0140 (3)
P50.0377 (4)0.0285 (4)0.0216 (3)0.0200 (3)0.0188 (3)0.0156 (3)
P60.0282 (3)0.0308 (4)0.0195 (3)0.0147 (3)0.0129 (3)0.0142 (3)
Rh10.02663 (11)0.03804 (13)0.02029 (11)0.01886 (9)0.01278 (8)0.01802 (9)
Rh20.03381 (12)0.02724 (11)0.01958 (11)0.01581 (9)0.01563 (9)0.01313 (9)
Geometric parameters (Å, º) top
C181—C1821.3900C92—H920.9500
C181—C1861.3900C93—H930.9500
C181—C1621.528 (4)C94—O101.145 (4)
C182—C1831.3900C94—Rh21.907 (3)
C182—H1820.9500C95—C961.3900
C183—C1841.3900C95—C1001.3900
C183—H1830.9500C95—P41.8455 (14)
C184—C1851.3900C96—C971.3900
C184—H1840.9500C96—H960.9500
C185—C1861.3900C97—C981.3900
C185—H1850.9500C97—H970.9500
C186—H1860.9500C98—C991.3900
O19—C1871.417 (2)C98—H980.9500
O19—C1891.417 (2)C99—C1001.3900
C187—C1881.517 (2)C99—H990.9500
C187—H18A0.9900C100—H1000.9500
C187—H18B0.9900C101—C1021.384 (4)
C188—H18C0.9800C101—C1061.389 (4)
C188—H18D0.9800C101—P41.838 (3)
C188—H18E0.9800C102—C1031.391 (4)
C189—C1901.518 (2)C102—H1020.9500
C189—H18F0.9900C103—C1041.377 (5)
C189—H18G0.9900C103—H1030.9500
C190—H19A0.9800C104—C1051.376 (5)
C190—H19B0.9800C104—H1040.9500
C190—H19C0.9800C105—C1061.387 (4)
C1—O11.145 (4)C105—H1050.9500
C1—Rh11.914 (4)C106—H1060.9500
C2—C31.3900C107—C1081.385 (5)
C2—C71.3900C107—C1121.400 (4)
C2—P11.8483 (15)C107—P41.832 (3)
C3—C41.3900C108—C1091.390 (5)
C3—H30.9500C108—H1080.9500
C4—C51.3900C109—C1101.385 (6)
C4—H40.9500C109—H1090.9500
C5—C61.3900C110—C1111.376 (6)
C5—H50.9500C110—H1100.9500
C6—C71.3900C111—C1121.378 (5)
C6—H60.9500C111—H1110.9500
C7—H70.9500C112—H1120.9500
C8—C91.3900C113—O111.460 (3)
C8—C131.3900C113—C1211.545 (4)
C8—P11.8423 (16)C113—C1151.548 (3)
C9—C101.3900C113—C1141.608 (4)
C9—H90.9500C114—O121.462 (3)
C10—C111.3900C114—C1271.536 (4)
C10—H100.9500C114—C1331.549 (4)
C11—C121.3900C115—C1161.3900
C11—H110.9500C115—C1201.3900
C12—C131.3900C116—C1171.3900
C12—H120.9500C116—H1160.9500
C13—H130.9500C117—C1181.3900
C14—C151.3900C117—H1170.9500
C14—C191.3900C118—C1191.3900
C14—P11.8514 (15)C118—H1180.9500
C15—C161.3900C119—C1201.3900
C15—H150.9500C119—H1190.9500
C16—C171.3900C120—H1200.9500
C16—H160.9500C121—C1221.384 (4)
C17—C181.3900C121—C1261.398 (4)
C17—H170.9500C122—C1231.395 (4)
C18—C191.3900C122—H1220.9500
C18—H180.9500C123—C1241.373 (5)
C19—H190.9500C123—H1230.9500
C20—O21.461 (3)C124—C1251.370 (5)
C20—C281.539 (3)C124—H1240.9500
C20—C221.540 (4)C125—C1261.394 (4)
C20—C211.619 (4)C125—H1250.9500
C21—O31.456 (3)C126—H1260.9500
C21—C401.530 (4)C127—C1281.383 (5)
C21—C341.548 (4)C127—C1321.387 (5)
C22—C271.381 (4)C128—C1291.403 (5)
C22—C231.395 (4)C128—H1280.9500
C23—C241.389 (4)C129—C1301.382 (7)
C23—H230.9500C129—H1290.9500
C24—C251.387 (4)C130—C1311.380 (7)
C24—H240.9500C130—H1300.9500
C25—C261.373 (5)C131—C1321.392 (5)
C25—H250.9500C131—H1310.9500
C26—C271.395 (4)C132—H1320.9500
C26—H260.9500C133—C1381.381 (4)
C27—H270.9500C133—C1341.391 (4)
C28—C291.3900C134—C1351.389 (4)
C28—C331.3900C134—H1340.9500
C29—C301.3900C135—C1361.376 (4)
C29—H290.9500C135—H1350.9500
C30—C311.3900C136—C1371.380 (5)
C30—H300.9500C136—H1360.9500
C31—C321.3900C137—C1381.389 (4)
C31—H310.9500C137—H1370.9500
C32—C331.3900C138—H1380.9500
C32—H320.9500C139—O131.393 (3)
C33—H330.9500C139—C1441.395 (4)
C34—C351.392 (4)C139—C1401.409 (4)
C34—C391.394 (4)C140—C1411.408 (4)
C35—C361.393 (4)C140—C1511.543 (5)
C35—H350.9500C141—C1421.368 (5)
C36—C371.384 (5)C141—H1410.9500
C36—H360.9500C142—O141.367 (3)
C37—C381.375 (5)C142—C1431.386 (4)
C37—H370.9500C143—C1441.394 (4)
C38—C391.389 (4)C143—H1430.9500
C38—H380.9500C144—C1451.494 (4)
C39—H390.9500C145—C1461.386 (4)
C40—C451.386 (4)C145—C1501.409 (4)
C40—C411.398 (4)C146—C1471.394 (4)
C41—C421.381 (5)C146—H1460.9500
C41—H410.9500C147—O151.367 (3)
C42—C431.381 (5)C147—C1481.384 (4)
C42—H420.9500C148—C1491.407 (4)
C43—C441.387 (5)C148—H1480.9500
C43—H430.9500C149—C1501.405 (4)
C44—C451.388 (4)C149—C1571.541 (4)
C44—H440.9500C150—O181.390 (3)
C45—H450.9500C151—C1541.527 (5)
C46—C511.386 (4)C151—C1521.528 (5)
C46—O41.404 (3)C151—C1531.544 (4)
C46—C471.410 (4)C152—H15A0.9800
C47—C481.395 (4)C152—H15B0.9800
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C48—C491.368 (5)C153—H15D0.9800
C48—H480.9500C153—H15E0.9800
C49—C501.378 (4)C153—H15F0.9800
C49—O51.388 (3)C154—H15G0.9800
C50—C511.406 (4)C154—H15H0.9800
C50—H500.9500C154—H15I0.9800
C51—C521.498 (4)C155—O141.417 (4)
C52—C571.395 (4)C155—H15J0.9800
C52—C531.398 (4)C155—H15K0.9800
C53—C541.378 (4)C155—H15L0.9800
C53—H530.9500C156—O151.425 (4)
C54—O61.382 (3)C156—H15M0.9800
C54—C551.393 (4)C156—H15N0.9800
C55—C561.393 (4)C156—H15O0.9800
C55—H550.9500C157—C1601.525 (4)
C56—C571.405 (4)C157—C1581.536 (4)
C56—C641.533 (4)C157—C1591.542 (4)
C57—O91.395 (3)C158—H15P0.9800
C58—C611.532 (4)C158—H15Q0.9800
C58—C601.535 (5)C158—H15R0.9800
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C59—H59A0.9800C159—H15T0.9800
C59—H59B0.9800C159—H15U0.9800
C59—H59C0.9800C160—H16A0.9800
C60—H60A0.9800C160—H16B0.9800
C60—H60B0.9800C160—H16C0.9800
C60—H60C0.9800C161—O161.455 (3)
C61—H61A0.9800C161—C1631.530 (4)
C61—H61B0.9800C161—C1691.542 (4)
C61—H61C0.9800C161—C1621.642 (4)
C62—O51.413 (5)C162—O171.456 (3)
C62—H62A0.9800C162—C1751.548 (4)
C62—H62B0.9800C163—C1681.382 (4)
C62—H62C0.9800C163—C1641.399 (4)
C63—O61.440 (4)C164—C1651.383 (5)
C63—H63A0.9800C164—H1640.9500
C63—H63B0.9800C165—C1661.379 (5)
C63—H63C0.9800C165—H1650.9500
C64—C651.530 (5)C166—C1671.387 (5)
C64—C661.537 (4)C166—H1660.9500
C64—C671.538 (4)C167—C1681.384 (5)
C65—H65A0.9800C167—H1670.9500
C65—H65B0.9800C168—H1680.9500
C65—H65C0.9800C169—C1741.390 (4)
C66—H66A0.9800C169—C1701.391 (5)
C66—H66B0.9800C170—C1711.388 (5)
C66—H66C0.9800C170—H1700.9500
C67—H67A0.9800C171—C1721.378 (5)
C67—H67B0.9800C171—H1710.9500
C67—H67C0.9800C172—C1731.379 (5)
C68—O71.456 (3)C172—H1720.9500
C68—C701.529 (3)C173—C1741.391 (5)
C68—C761.560 (3)C173—H1730.9500
C68—C691.631 (4)C174—H1740.9500
C69—O81.462 (3)C175—C1761.3900
C69—C881.525 (4)C175—C1801.3900
C69—C821.553 (3)C176—C1771.3900
C70—C711.3900C176—H1760.9500
C70—C751.3900C177—C1781.3900
C71—C721.3900C177—H1770.9500
C71—H710.9500C178—C1791.3900
C72—C731.3900C178—H1780.9500
C72—H720.9500C179—C1801.3900
C73—C741.3900C179—H1790.9500
C73—H730.9500C180—H1800.9500
C74—C751.3900O2—P21.622 (2)
C74—H740.9500O3—P21.6135 (19)
C75—H750.9500O4—P21.6412 (18)
C76—C771.3900O7—P31.6150 (19)
C76—C811.3900O8—P31.6117 (19)
C77—C781.3900O9—P31.639 (2)
C77—H770.9500O11—P61.6130 (19)
C78—C791.3900O12—P61.626 (2)
C78—H780.9500O13—P61.6419 (18)
C79—C801.3900O16—P51.6148 (18)
C79—H790.9500O17—P51.6199 (18)
C80—C811.3900O18—P51.646 (2)
C80—H800.9500P1—Rh12.3221 (7)
C81—H810.9500P2—Rh12.2447 (7)
C82—C831.3900P3—Rh12.2569 (7)
C82—C871.3900P4—Rh22.3209 (7)
C83—C841.3900P5—Rh22.2555 (7)
C83—H830.9500P6—Rh22.2553 (7)
C84—C851.3900Rh1—H11.40 (4)
C84—H840.9500Rh2—H21.40 (4)
C85—C861.3900O20—C1911.429 (8)
C85—H850.9500O20—C1931.433 (8)
C86—C871.3900C192—C1911.517 (2)
C86—H860.9500C192—H19D0.9800
C87—H870.9500C192—H19E0.9800
C88—C931.382 (5)C192—H19F0.9800
C88—C891.403 (4)C191—H19G0.9900
C89—C901.384 (5)C191—H19H0.9900
C89—H890.9500C193—C1941.519 (2)
C90—C911.380 (6)C193—H19I0.9900
C90—H900.9500C193—H19J0.9900
C91—C921.378 (6)C194—H19K0.9800
C91—H910.9500C194—H19L0.9800
C92—C931.379 (5)C194—H19M0.9800
C182—C181—C186120.0C95—C100—H100120.0
C182—C181—C162121.45 (18)C102—C101—C106118.9 (3)
C186—C181—C162118.41 (18)C102—C101—P4124.1 (2)
C183—C182—C181120.0C106—C101—P4116.9 (2)
C183—C182—H182120.0C101—C102—C103120.1 (3)
C181—C182—H182120.0C101—C102—H102119.9
C184—C183—C182120.0C103—C102—H102119.9
C184—C183—H183120.0C104—C103—C102120.6 (3)
C182—C183—H183120.0C104—C103—H103119.7
C183—C184—C185120.0C102—C103—H103119.7
C183—C184—H184120.0C105—C104—C103119.5 (3)
C185—C184—H184120.0C105—C104—H104120.3
C186—C185—C184120.0C103—C104—H104120.3
C186—C185—H185120.0C104—C105—C106120.3 (3)
C184—C185—H185120.0C104—C105—H105119.8
C185—C186—C181120.0C106—C105—H105119.8
C185—C186—H186120.0C105—C106—C101120.5 (3)
C181—C186—H186120.0C105—C106—H106119.7
C187—O19—C189107.0 (7)C101—C106—H106119.7
O19—C187—C188105.6 (6)C108—C107—C112118.9 (3)
O19—C187—H18A110.6C108—C107—P4119.1 (2)
C188—C187—H18A110.6C112—C107—P4122.0 (3)
O19—C187—H18B110.6C107—C108—C109120.7 (4)
C188—C187—H18B110.6C107—C108—H108119.6
H18A—C187—H18B108.7C109—C108—H108119.6
C187—C188—H18C109.5C110—C109—C108119.3 (4)
C187—C188—H18D109.5C110—C109—H109120.3
H18C—C188—H18D109.5C108—C109—H109120.3
C187—C188—H18E109.5C111—C110—C109120.6 (4)
H18C—C188—H18E109.5C111—C110—H110119.7
H18D—C188—H18E109.5C109—C110—H110119.7
O19—C189—C190102.6 (7)C110—C111—C112120.1 (4)
O19—C189—H18F111.2C110—C111—H111120.0
C190—C189—H18F111.2C112—C111—H111120.0
O19—C189—H18G111.2C111—C112—C107120.4 (4)
C190—C189—H18G111.2C111—C112—H112119.8
H18F—C189—H18G109.2C107—C112—H112119.8
C189—C190—H19A109.5O11—C113—C121108.1 (2)
C189—C190—H19B109.5O11—C113—C115106.26 (19)
H19A—C190—H19B109.5C121—C113—C115109.3 (2)
C189—C190—H19C109.5O11—C113—C114103.1 (2)
H19A—C190—H19C109.5C121—C113—C114116.5 (2)
H19B—C190—H19C109.5C115—C113—C114112.9 (2)
O1—C1—Rh1178.3 (3)O12—C114—C127106.9 (2)
C3—C2—C7120.0O12—C114—C133105.9 (2)
C3—C2—P1117.11 (11)C127—C114—C133109.9 (2)
C7—C2—P1122.83 (11)O12—C114—C113105.0 (2)
C4—C3—C2120.0C127—C114—C113116.9 (2)
C4—C3—H3120.0C133—C114—C113111.5 (2)
C2—C3—H3120.0C116—C115—C120120.0
C3—C4—C5120.0C116—C115—C113119.75 (14)
C3—C4—H4120.0C120—C115—C113119.99 (14)
C5—C4—H4120.0C115—C116—C117120.0
C6—C5—C4120.0C115—C116—H116120.0
C6—C5—H5120.0C117—C116—H116120.0
C4—C5—H5120.0C118—C117—C116120.0
C5—C6—C7120.0C118—C117—H117120.0
C5—C6—H6120.0C116—C117—H117120.0
C7—C6—H6120.0C119—C118—C117120.0
C6—C7—C2120.0C119—C118—H118120.0
C6—C7—H7120.0C117—C118—H118120.0
C2—C7—H7120.0C118—C119—C120120.0
C9—C8—C13120.0C118—C119—H119120.0
C9—C8—P1121.94 (11)C120—C119—H119120.0
C13—C8—P1118.05 (11)C119—C120—C115120.0
C8—C9—C10120.0C119—C120—H120120.0
C8—C9—H9120.0C115—C120—H120120.0
C10—C9—H9120.0C122—C121—C126117.8 (3)
C11—C10—C9120.0C122—C121—C113120.7 (3)
C11—C10—H10120.0C126—C121—C113121.5 (3)
C9—C10—H10120.0C121—C122—C123121.1 (3)
C10—C11—C12120.0C121—C122—H122119.4
C10—C11—H11120.0C123—C122—H122119.4
C12—C11—H11120.0C124—C123—C122120.3 (3)
C11—C12—C13120.0C124—C123—H123119.9
C11—C12—H12120.0C122—C123—H123119.9
C13—C12—H12120.0C125—C124—C123119.6 (3)
C12—C13—C8120.0C125—C124—H124120.2
C12—C13—H13120.0C123—C124—H124120.2
C8—C13—H13120.0C124—C125—C126120.6 (3)
C15—C14—C19120.0C124—C125—H125119.7
C15—C14—P1120.13 (11)C126—C125—H125119.7
C19—C14—P1118.69 (11)C125—C126—C121120.6 (3)
C14—C15—C16120.0C125—C126—H126119.7
C14—C15—H15120.0C121—C126—H126119.7
C16—C15—H15120.0C128—C127—C132118.5 (3)
C17—C16—C15120.0C128—C127—C114118.2 (3)
C17—C16—H16120.0C132—C127—C114123.1 (3)
C15—C16—H16120.0C127—C128—C129120.6 (4)
C16—C17—C18120.0C127—C128—H128119.7
C16—C17—H17120.0C129—C128—H128119.7
C18—C17—H17120.0C130—C129—C128120.2 (5)
C17—C18—C19120.0C130—C129—H129119.9
C17—C18—H18120.0C128—C129—H129119.9
C19—C18—H18120.0C131—C130—C129119.6 (4)
C18—C19—C14120.0C131—C130—H130120.2
C18—C19—H19120.0C129—C130—H130120.2
C14—C19—H19120.0C130—C131—C132120.0 (4)
O2—C20—C28107.8 (2)C130—C131—H131120.0
O2—C20—C22104.6 (2)C132—C131—H131120.0
C28—C20—C22110.0 (2)C127—C132—C131121.2 (4)
O2—C20—C21104.92 (19)C127—C132—H132119.4
C28—C20—C21114.3 (2)C131—C132—H132119.4
C22—C20—C21114.4 (2)C138—C133—C134118.2 (3)
O3—C21—C40105.8 (2)C138—C133—C114122.1 (3)
O3—C21—C34107.8 (2)C134—C133—C114119.7 (2)
C40—C21—C34107.5 (2)C135—C134—C133120.9 (3)
O3—C21—C20104.0 (2)C135—C134—H134119.6
C40—C21—C20117.2 (2)C133—C134—H134119.6
C34—C21—C20113.8 (2)C136—C135—C134120.3 (3)
C27—C22—C23118.3 (3)C136—C135—H135119.9
C27—C22—C20122.6 (3)C134—C135—H135119.9
C23—C22—C20119.1 (2)C135—C136—C137119.4 (3)
C24—C23—C22120.8 (3)C135—C136—H136120.3
C24—C23—H23119.6C137—C136—H136120.3
C22—C23—H23119.6C136—C137—C138120.4 (3)
C25—C24—C23120.1 (3)C136—C137—H137119.8
C25—C24—H24119.9C138—C137—H137119.8
C23—C24—H24119.9C133—C138—C137121.0 (3)
C26—C25—C24119.5 (3)C133—C138—H138119.5
C26—C25—H25120.2C137—C138—H138119.5
C24—C25—H25120.2O13—C139—C144120.6 (2)
C25—C26—C27120.3 (3)O13—C139—C140117.9 (3)
C25—C26—H26119.8C144—C139—C140121.4 (2)
C27—C26—H26119.8C141—C140—C139116.6 (3)
C22—C27—C26121.0 (3)C141—C140—C151119.5 (3)
C22—C27—H27119.5C139—C140—C151123.9 (3)
C26—C27—H27119.5C142—C141—C140122.4 (3)
C29—C28—C33120.0C142—C141—H141118.8
C29—C28—C20119.83 (16)C140—C141—H141118.8
C33—C28—C20120.10 (16)O14—C142—C141124.9 (3)
C30—C29—C28120.0O14—C142—C143115.0 (3)
C30—C29—H29120.0C141—C142—C143120.0 (3)
C28—C29—H29120.0C142—C143—C144119.9 (3)
C29—C30—C31120.0C142—C143—H143120.0
C29—C30—H30120.0C144—C143—H143120.0
C31—C30—H30120.0C143—C144—C139119.5 (2)
C30—C31—C32120.0C143—C144—C145116.0 (3)
C30—C31—H31120.0C139—C144—C145124.4 (2)
C32—C31—H31120.0C146—C145—C150119.3 (2)
C31—C32—C33120.0C146—C145—C144119.7 (2)
C31—C32—H32120.0C150—C145—C144120.9 (2)
C33—C32—H32120.0C145—C146—C147119.9 (2)
C32—C33—C28120.0C145—C146—H146120.0
C32—C33—H33120.0C147—C146—H146120.0
C28—C33—H33120.0O15—C147—C148124.9 (3)
C35—C34—C39117.6 (3)O15—C147—C146115.0 (2)
C35—C34—C21120.5 (2)C148—C147—C146120.1 (2)
C39—C34—C21121.9 (3)C147—C148—C149121.9 (3)
C34—C35—C36120.9 (3)C147—C148—H148119.1
C34—C35—H35119.6C149—C148—H148119.1
C36—C35—H35119.6C150—C149—C148116.7 (2)
C37—C36—C35120.3 (3)C150—C149—C157122.7 (2)
C37—C36—H36119.8C148—C149—C157120.5 (3)
C35—C36—H36119.8O18—C150—C149119.3 (2)
C38—C37—C36119.6 (3)O18—C150—C145118.9 (2)
C38—C37—H37120.2C149—C150—C145121.8 (2)
C36—C37—H37120.2C154—C151—C152110.2 (3)
C37—C38—C39120.0 (3)C154—C151—C140110.7 (3)
C37—C38—H38120.0C152—C151—C140111.1 (3)
C39—C38—H38120.0C154—C151—C153107.4 (3)
C38—C39—C34121.5 (3)C152—C151—C153105.9 (3)
C38—C39—H39119.2C140—C151—C153111.3 (3)
C34—C39—H39119.2C151—C152—H15A109.5
C45—C40—C41118.1 (3)C151—C152—H15B109.5
C45—C40—C21118.1 (2)H15A—C152—H15B109.5
C41—C40—C21123.1 (3)C151—C152—H15C109.5
C42—C41—C40120.7 (3)H15A—C152—H15C109.5
C42—C41—H41119.6H15B—C152—H15C109.5
C40—C41—H41119.6C151—C153—H15D109.5
C41—C42—C43120.6 (3)C151—C153—H15E109.5
C41—C42—H42119.7H15D—C153—H15E109.5
C43—C42—H42119.7C151—C153—H15F109.5
C42—C43—C44119.3 (3)H15D—C153—H15F109.5
C42—C43—H43120.3H15E—C153—H15F109.5
C44—C43—H43120.3C151—C154—H15G109.5
C43—C44—C45120.0 (3)C151—C154—H15H109.5
C43—C44—H44120.0H15G—C154—H15H109.5
C45—C44—H44120.0C151—C154—H15I109.5
C40—C45—C44121.2 (3)H15G—C154—H15I109.5
C40—C45—H45119.4H15H—C154—H15I109.5
C44—C45—H45119.4O14—C155—H15J109.5
C51—C46—O4120.6 (2)O14—C155—H15K109.5
C51—C46—C47121.7 (2)H15J—C155—H15K109.5
O4—C46—C47117.3 (3)O14—C155—H15L109.5
C48—C47—C46116.3 (3)H15J—C155—H15L109.5
C48—C47—C58119.6 (3)H15K—C155—H15L109.5
C46—C47—C58123.9 (3)O15—C156—H15M109.5
C49—C48—C47122.6 (3)O15—C156—H15N109.5
C49—C48—H48118.7H15M—C156—H15N109.5
C47—C48—H48118.7O15—C156—H15O109.5
C48—C49—C50120.6 (3)H15M—C156—H15O109.5
C48—C49—O5115.9 (3)H15N—C156—H15O109.5
C50—C49—O5123.4 (3)C160—C157—C158106.3 (2)
C49—C50—C51119.1 (3)C160—C157—C149112.2 (3)
C49—C50—H50120.5C158—C157—C149111.9 (2)
C51—C50—H50120.5C160—C157—C159110.1 (3)
C46—C51—C50119.5 (3)C158—C157—C159107.4 (3)
C46—C51—C52125.2 (2)C149—C157—C159108.8 (2)
C50—C51—C52115.1 (3)C157—C158—H15P109.5
C57—C52—C53119.6 (3)C157—C158—H15Q109.5
C57—C52—C51122.0 (2)H15P—C158—H15Q109.5
C53—C52—C51118.1 (2)C157—C158—H15R109.5
C54—C53—C52119.0 (3)H15P—C158—H15R109.5
C54—C53—H53120.5H15Q—C158—H15R109.5
C52—C53—H53120.5C157—C159—H15S109.5
C53—C54—O6124.4 (3)C157—C159—H15T109.5
C53—C54—C55121.0 (3)H15S—C159—H15T109.5
O6—C54—C55114.6 (3)C157—C159—H15U109.5
C56—C55—C54121.7 (3)H15S—C159—H15U109.5
C56—C55—H55119.1H15T—C159—H15U109.5
C54—C55—H55119.1C157—C160—H16A109.5
C55—C56—C57116.5 (3)C157—C160—H16B109.5
C55—C56—C64119.7 (3)H16A—C160—H16B109.5
C57—C56—C64123.7 (2)C157—C160—H16C109.5
O9—C57—C52119.2 (2)H16A—C160—H16C109.5
O9—C57—C56118.6 (2)H16B—C160—H16C109.5
C52—C57—C56122.2 (2)O16—C161—C163106.1 (2)
C61—C58—C47111.6 (3)O16—C161—C169108.0 (2)
C61—C58—C60110.9 (3)C163—C161—C169110.7 (2)
C47—C58—C60109.4 (3)O16—C161—C162103.63 (19)
C61—C58—C59105.8 (3)C163—C161—C162113.4 (2)
C47—C58—C59111.6 (3)C169—C161—C162114.2 (2)
C60—C58—C59107.4 (3)O17—C162—C181107.8 (2)
C58—C59—H59A109.5O17—C162—C175105.6 (2)
C58—C59—H59B109.5C181—C162—C175110.2 (2)
H59A—C59—H59B109.5O17—C162—C161104.14 (19)
C58—C59—H59C109.5C181—C162—C161116.1 (2)
H59A—C59—H59C109.5C175—C162—C161112.2 (2)
H59B—C59—H59C109.5C168—C163—C164118.3 (3)
C58—C60—H60A109.5C168—C163—C161120.5 (3)
C58—C60—H60B109.5C164—C163—C161121.3 (3)
H60A—C60—H60B109.5C165—C164—C163120.7 (3)
C58—C60—H60C109.5C165—C164—H164119.6
H60A—C60—H60C109.5C163—C164—H164119.6
H60B—C60—H60C109.5C166—C165—C164120.7 (3)
C58—C61—H61A109.5C166—C165—H165119.7
C58—C61—H61B109.5C164—C165—H165119.7
H61A—C61—H61B109.5C165—C166—C167118.7 (3)
C58—C61—H61C109.5C165—C166—H166120.6
H61A—C61—H61C109.5C167—C166—H166120.6
H61B—C61—H61C109.5C168—C167—C166120.9 (4)
O5—C62—H62A109.5C168—C167—H167119.6
O5—C62—H62B109.5C166—C167—H167119.6
H62A—C62—H62B109.5C163—C168—C167120.7 (3)
O5—C62—H62C109.5C163—C168—H168119.7
H62A—C62—H62C109.5C167—C168—H168119.7
H62B—C62—H62C109.5C174—C169—C170117.7 (3)
O6—C63—H63A109.5C174—C169—C161121.6 (3)
O6—C63—H63B109.5C170—C169—C161120.7 (3)
H63A—C63—H63B109.5C171—C170—C169121.2 (3)
O6—C63—H63C109.5C171—C170—H170119.4
H63A—C63—H63C109.5C169—C170—H170119.4
H63B—C63—H63C109.5C172—C171—C170120.6 (4)
C65—C64—C56111.8 (2)C172—C171—H171119.7
C65—C64—C66107.0 (3)C170—C171—H171119.7
C56—C64—C66109.6 (2)C171—C172—C173118.9 (3)
C65—C64—C67107.3 (3)C171—C172—H172120.6
C56—C64—C67111.7 (3)C173—C172—H172120.6
C66—C64—C67109.3 (3)C172—C173—C174120.8 (3)
C64—C65—H65A109.5C172—C173—H173119.6
C64—C65—H65B109.5C174—C173—H173119.6
H65A—C65—H65B109.5C169—C174—C173120.8 (3)
C64—C65—H65C109.5C169—C174—H174119.6
H65A—C65—H65C109.5C173—C174—H174119.6
H65B—C65—H65C109.5C176—C175—C180120.0
C64—C66—H66A109.5C176—C175—C162118.47 (17)
C64—C66—H66B109.5C180—C175—C162121.52 (17)
H66A—C66—H66B109.5C177—C176—C175120.0
C64—C66—H66C109.5C177—C176—H176120.0
H66A—C66—H66C109.5C175—C176—H176120.0
H66B—C66—H66C109.5C176—C177—C178120.0
C64—C67—H67A109.5C176—C177—H177120.0
C64—C67—H67B109.5C178—C177—H177120.0
H67A—C67—H67B109.5C177—C178—C179120.0
C64—C67—H67C109.5C177—C178—H178120.0
H67A—C67—H67C109.5C179—C178—H178120.0
H67B—C67—H67C109.5C180—C179—C178120.0
O7—C68—C70106.3 (2)C180—C179—H179120.0
O7—C68—C76106.3 (2)C178—C179—H179120.0
C70—C68—C76108.60 (19)C179—C180—C175120.0
O7—C68—C69104.31 (19)C179—C180—H180120.0
C70—C68—C69118.5 (2)C175—C180—H180120.0
C76—C68—C69111.9 (2)C20—O2—P2117.82 (17)
O8—C69—C88105.9 (2)C21—O3—P2118.67 (17)
O8—C69—C82108.01 (19)C46—O4—P2129.59 (17)
C88—C69—C82111.3 (2)C49—O5—C62116.8 (3)
O8—C69—C68102.87 (19)C54—O6—C63115.6 (3)
C88—C69—C68113.1 (2)C68—O7—P3118.27 (16)
C82—C69—C68114.8 (2)C69—O8—P3118.24 (17)
C71—C70—C75120.0C57—O9—P3124.14 (17)
C71—C70—C68116.89 (15)C113—O11—P6117.13 (17)
C75—C70—C68122.57 (16)C114—O12—P6116.84 (18)
C70—C71—C72120.0C139—O13—P6127.78 (16)
C70—C71—H71120.0C142—O14—C155117.0 (3)
C72—C71—H71120.0C147—O15—C156117.2 (2)
C73—C72—C71120.0C161—O16—P5118.77 (16)
C73—C72—H72120.0C162—O17—P5118.79 (15)
C71—C72—H72120.0C150—O18—P5122.75 (17)
C72—C73—C74120.0C8—P1—C2102.39 (9)
C72—C73—H73120.0C8—P1—C14102.36 (9)
C74—C73—H73120.0C2—P1—C1499.09 (9)
C75—C74—C73120.0C8—P1—Rh1116.38 (7)
C75—C74—H74120.0C2—P1—Rh1114.35 (7)
C73—C74—H74120.0C14—P1—Rh1119.52 (7)
C74—C75—C70120.0O3—P2—O293.57 (10)
C74—C75—H75120.0O3—P2—O4102.08 (10)
C70—C75—H75120.0O2—P2—O497.60 (10)
C77—C76—C81120.0O3—P2—Rh1122.83 (7)
C77—C76—C68121.55 (16)O2—P2—Rh1120.72 (7)
C81—C76—C68118.44 (16)O4—P2—Rh1115.15 (7)
C76—C77—C78120.0O8—P3—O793.33 (9)
C76—C77—H77120.0O8—P3—O9102.00 (10)
C78—C77—H77120.0O7—P3—O998.97 (11)
C79—C78—C77120.0O8—P3—Rh1123.67 (8)
C79—C78—H78120.0O7—P3—Rh1118.87 (7)
C77—C78—H78120.0O9—P3—Rh1115.28 (7)
C80—C79—C78120.0C107—P4—C101102.62 (14)
C80—C79—H79120.0C107—P4—C95102.58 (11)
C78—C79—H79120.0C101—P4—C9599.81 (11)
C79—C80—C81120.0C107—P4—Rh2116.69 (10)
C79—C80—H80120.0C101—P4—Rh2113.21 (9)
C81—C80—H80120.0C95—P4—Rh2119.36 (6)
C80—C81—C76120.0O16—P5—O1793.19 (9)
C80—C81—H81120.0O16—P5—O18102.91 (10)
C76—C81—H81120.0O17—P5—O1898.55 (11)
C83—C82—C87120.0O16—P5—Rh2122.23 (8)
C83—C82—C69119.75 (16)O17—P5—Rh2120.32 (8)
C87—C82—C69120.22 (16)O18—P5—Rh2115.10 (7)
C84—C83—C82120.0O11—P6—O1293.41 (10)
C84—C83—H83120.0O11—P6—O13103.04 (10)
C82—C83—H83120.0O12—P6—O1397.12 (10)
C85—C84—C83120.0O11—P6—Rh2120.49 (7)
C85—C84—H84120.0O12—P6—Rh2122.85 (8)
C83—C84—H84120.0O13—P6—Rh2115.26 (7)
C84—C85—C86120.0C1—Rh1—P299.50 (9)
C84—C85—H85120.0C1—Rh1—P399.19 (9)
C86—C85—H85120.0P2—Rh1—P3117.18 (2)
C85—C86—C87120.0C1—Rh1—P194.90 (9)
C85—C86—H86120.0P2—Rh1—P1120.36 (2)
C87—C86—H86120.0P3—Rh1—P1116.96 (3)
C86—C87—C82120.0C1—Rh1—H1173.7 (16)
C86—C87—H87120.0P2—Rh1—H186.8 (15)
C82—C87—H87120.0P3—Rh1—H178.3 (15)
C93—C88—C89117.8 (3)P1—Rh1—H181.2 (15)
C93—C88—C69121.1 (3)C94—Rh2—P6101.63 (9)
C89—C88—C69121.0 (3)C94—Rh2—P598.77 (10)
C90—C89—C88120.5 (3)P6—Rh2—P5117.99 (2)
C90—C89—H89119.7C94—Rh2—P495.09 (9)
C88—C89—H89119.7P6—Rh2—P4118.93 (2)
C91—C90—C89120.5 (3)P5—Rh2—P4116.62 (3)
C91—C90—H90119.7C94—Rh2—H2176.3 (15)
C89—C90—H90119.7P6—Rh2—H282.1 (15)
C92—C91—C90119.1 (4)P5—Rh2—H279.1 (15)
C92—C91—H91120.4P4—Rh2—H283.2 (15)
C90—C91—H91120.4C191—O20—C193105.9 (7)
C91—C92—C93120.6 (4)C191—C192—H19D109.5
C91—C92—H92119.7C191—C192—H19E109.5
C93—C92—H92119.7H19D—C192—H19E109.5
C92—C93—C88121.3 (3)C191—C192—H19F109.5
C92—C93—H93119.4H19D—C192—H19F109.5
C88—C93—H93119.4H19E—C192—H19F109.5
O10—C94—Rh2178.2 (3)O20—C191—C192104.1 (8)
C96—C95—C100120.0O20—C191—H19G110.9
C96—C95—P4121.00 (10)C192—C191—H19G110.9
C100—C95—P4118.11 (10)O20—C191—H19H110.9
C95—C96—C97120.0C192—C191—H19H110.9
C95—C96—H96120.0H19G—C191—H19H109.0
C97—C96—H96120.0O20—C193—C194106.7 (10)
C98—C97—C96120.0O20—C193—H19I110.4
C98—C97—H97120.0C194—C193—H19I110.4
C96—C97—H97120.0O20—C193—H19J110.4
C97—C98—C99120.0C194—C193—H19J110.4
C97—C98—H98120.0H19I—C193—H19J108.6
C99—C98—H98120.0C193—C194—H19K109.5
C100—C99—C98120.0C193—C194—H19L109.5
C100—C99—H99120.0H19K—C194—H19L109.5
C98—C99—H99120.0C193—C194—H19M109.5
C99—C100—C95120.0H19K—C194—H19M109.5
C99—C100—H100120.0H19L—C194—H19M109.5
references
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