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A near-linear P—Au—S geometry is found for the Au atom in the title complex, (C6H11)3PAu[SC(OCH2CH3)=NC6H4{C(=O}OCH3-4)] or [Au(C11H12NO3S)(C18H33P)].

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536807013268/hb2336sup1.cif
Contains datablocks global, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536807013268/hb2336Isup2.hkl
Contains datablock I

CCDC reference: 647214

Key indicators

  • Single-crystal X-ray study
  • T = 223 K
  • Mean [sigma](C-C) = 0.006 Å
  • Disorder in main residue
  • R factor = 0.028
  • wR factor = 0.071
  • Data-to-parameter ratio = 17.9

checkCIF/PLATON results

No syntax errors found



Alert level C PLAT062_ALERT_4_C Rescale T(min) & T(max) by ..................... 0.61 PLAT094_ALERT_2_C Ratio of Maximum / Minimum Residual Density .... 2.15 PLAT220_ALERT_2_C Large Non-Solvent C Ueq(max)/Ueq(min) ... 3.10 Ratio PLAT220_ALERT_2_C Large Non-Solvent O Ueq(max)/Ueq(min) ... 2.74 Ratio PLAT222_ALERT_3_C Large Non-Solvent H Ueq(max)/Ueq(min) ... 3.86 Ratio PLAT301_ALERT_3_C Main Residue Disorder ......................... 22.00 Perc. PLAT432_ALERT_2_C Short Inter X...Y Contact O1' .. C7' .. 2.94 Ang. PLAT480_ALERT_4_C Long H...A H-Bond Reported H25A .. O1 .. 2.65 Ang. PLAT480_ALERT_4_C Long H...A H-Bond Reported H16A .. O2 .. 2.67 Ang.
Alert level G ABSTM02_ALERT_3_G When printed, the submitted absorption T values will be replaced by the scaled T values. Since the ratio of scaled T's is identical to the ratio of reported T values, the scaling does not imply a change to the absorption corrections used in the study. Ratio of Tmax expected/reported 0.611 Tmax scaled 0.611 Tmin scaled 0.236
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 9 ALERT level C = Check and explain 1 ALERT level G = General alerts; check 0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 4 ALERT type 2 Indicator that the structure model may be wrong or deficient 3 ALERT type 3 Indicator that the structure quality may be low 3 ALERT type 4 Improvement, methodology, query or suggestion 0 ALERT type 5 Informative message, check

Computing details top

Data collection: SMART (Bruker, 2000); cell refinement: SAINT (Bruker, 2000); data reduction: SAINT; program(s) used to solve structure: PATTY in DIRDIF92 (Beurskens et al., 1992); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ORTEPII (Johnson, 1976) and DIAMOND (Brandenburg, 2006); software used to prepare material for publication: SHELXL97.

[(Z)—O-Ethyl N-[4-(methoxycarbonyl)phenyl]thiocarbamato- κS](tricyclohexylphosphine-κP)gold(I) top
Crystal data top
[Au(C11H12NO3S)(C18H33P)]F(000) = 1440
Mr = 715.66Dx = 1.543 Mg m3
Monoclinic, P21/nMo Kα radiation, λ = 0.71069 Å
Hall symbol: -P 2ynCell parameters from 8215 reflections
a = 15.2963 (8) Åθ = 2.4–30.0°
b = 9.1081 (4) ŵ = 4.93 mm1
c = 22.2657 (11) ÅT = 223 K
β = 96.837 (1)°Block, colourless
V = 3080.0 (3) Å30.29 × 0.24 × 0.10 mm
Z = 4
Data collection top
Bruker SMART CCD
diffractometer
7060 independent reflections
Radiation source: fine-focus sealed tube6020 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.039
ω scansθmax = 27.5°, θmin = 1.7°
Absorption correction: multi-scan
(SADABS; Bruker, 2000)
h = 1915
Tmin = 0.386, Tmax = 1k = 1111
21294 measured reflectionsl = 2826
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)] = 0.028Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.071H-atom parameters constrained
S = 1.03 w = 1/[σ2(Fo2) + (0.0359P)2 + 0.2378P]
where P = (Fo2 + 2Fc2)/3
7060 reflections(Δ/σ)max = 0.003
395 parametersΔρmax = 1.27 e Å3
116 restraintsΔρmin = 0.59 e Å3
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)
Au0.626952 (8)0.664517 (13)0.587216 (5)0.02938 (5)
S10.55417 (7)0.75540 (11)0.66361 (4)0.0470 (2)
P10.69273 (5)0.59305 (8)0.50617 (3)0.02611 (17)
O1'0.2538 (9)1.129 (2)0.7839 (7)0.071 (4)0.37 (2)
O2'0.3576 (13)1.2360 (16)0.8456 (5)0.070 (5)0.37 (2)
O10.2730 (6)1.1645 (12)0.8123 (10)0.115 (5)0.63 (2)
O20.3970 (7)1.2840 (10)0.8401 (3)0.060 (2)0.63 (2)
O30.63346 (18)0.5270 (2)0.71644 (10)0.0420 (6)
N10.5630 (3)0.6698 (3)0.77932 (14)0.0461 (8)
C10.5838 (3)0.6455 (4)0.72718 (16)0.0367 (8)
C2'0.5016 (9)0.7773 (15)0.7876 (10)0.038 (4)0.37 (2)
C3'0.5348 (7)0.9065 (17)0.8146 (9)0.029 (3)0.37 (2)
H3'0.59560.91630.82660.035*0.37 (2)
C4'0.4781 (9)1.0213 (14)0.8240 (7)0.031 (3)0.37 (2)
H4'0.50051.10870.84230.037*0.37 (2)
C5'0.3882 (8)1.0069 (13)0.8064 (7)0.034 (4)0.37 (2)
C6'0.3551 (7)0.8777 (15)0.7793 (8)0.042 (4)0.37 (2)
H6'0.29430.86790.76740.051*0.37 (2)
C7'0.4118 (10)0.7629 (13)0.7700 (9)0.045 (4)0.37 (2)
H7'0.38940.67550.75170.053*0.37 (2)
C8'0.3250 (10)1.1265 (16)0.8102 (6)0.044 (4)0.37 (2)
C9'0.3000 (18)1.370 (2)0.8520 (9)0.089 (6)0.37 (2)
H9A0.32061.42130.88920.134*0.37 (2)
H9B0.23951.33920.85300.134*0.37 (2)
H9C0.30331.43540.81790.134*0.37 (2)
C20.5130 (6)0.7982 (9)0.7892 (6)0.038 (3)0.63 (2)
C30.5529 (5)0.9292 (10)0.8092 (5)0.040 (2)0.63 (2)
H30.61470.93650.81490.048*0.63 (2)
C40.5017 (6)1.0496 (8)0.8208 (4)0.038 (2)0.63 (2)
H40.52871.13820.83430.045*0.63 (2)
C50.4104 (6)1.0389 (8)0.8124 (4)0.038 (2)0.63 (2)
C60.3704 (5)0.9079 (10)0.7924 (5)0.048 (2)0.63 (2)
H60.30860.90070.78680.058*0.63 (2)
C70.4217 (6)0.7875 (8)0.7808 (5)0.049 (2)0.63 (2)
H70.39460.69890.76730.059*0.63 (2)
C80.3511 (8)1.1648 (11)0.8214 (6)0.056 (3)0.63 (2)
C90.3485 (10)1.4244 (12)0.8527 (5)0.090 (4)0.63 (2)
H9D0.39081.50290.86230.135*0.63 (2)
H9E0.31541.40880.88670.135*0.63 (2)
H9F0.30851.45100.81730.135*0.63 (2)
C100.6565 (3)0.4305 (5)0.76797 (18)0.0573 (11)
H10A0.60370.40530.78680.069*
H10B0.69840.47930.79820.069*
C110.6962 (4)0.2963 (5)0.7456 (2)0.0704 (14)
H11A0.71560.23240.77940.106*
H11B0.74630.32300.72490.106*
H11C0.65290.24550.71770.106*
C120.7980 (2)0.6873 (3)0.50055 (14)0.0311 (7)
H120.78280.77700.47640.037*
C130.8649 (2)0.6042 (4)0.46714 (16)0.0396 (8)
H13A0.88380.51530.48980.047*
H13B0.83670.57420.42720.047*
C140.9450 (3)0.6986 (5)0.45969 (18)0.0503 (10)
H14A0.98770.64070.44020.060*
H14B0.92700.78230.43340.060*
C150.9878 (2)0.7542 (5)0.51997 (18)0.0476 (9)
H15A1.03640.82010.51340.057*
H15B1.01250.67090.54420.057*
C160.9228 (3)0.8361 (4)0.5550 (2)0.0465 (10)
H16A0.95200.86310.59500.056*
H16B0.90390.92660.53340.056*
C170.8428 (2)0.7412 (4)0.56204 (15)0.0367 (8)
H17A0.80050.79810.58230.044*
H17B0.86100.65630.58760.044*
C180.7123 (2)0.3951 (3)0.50597 (15)0.0342 (7)
H180.74420.37050.47110.041*
C190.6249 (3)0.3130 (3)0.4994 (2)0.0492 (10)
H19A0.59140.33790.46040.059*
H19B0.59040.34390.53150.059*
C200.6394 (4)0.1470 (4)0.5030 (3)0.0688 (15)
H20A0.58220.09770.50150.083*
H20B0.66730.11480.46780.083*
C210.6969 (3)0.1017 (4)0.5605 (3)0.0744 (15)
H21A0.66610.12320.59570.089*
H21B0.70770.00430.55970.089*
C220.7832 (3)0.1820 (4)0.5665 (3)0.0620 (13)
H22A0.81660.15270.53350.074*
H22B0.81770.15510.60480.074*
C230.7692 (3)0.3493 (3)0.56454 (18)0.0457 (9)
H23A0.74040.38000.59950.055*
H23B0.82640.39880.56690.055*
C240.6211 (2)0.6351 (4)0.43583 (14)0.0327 (7)
H240.56700.57610.43700.039*
C250.6580 (3)0.5922 (5)0.37796 (15)0.0501 (10)
H25A0.67140.48690.37860.060*
H25B0.71270.64610.37490.060*
C260.5910 (3)0.6274 (6)0.32337 (19)0.0693 (14)
H26A0.61650.60420.28620.083*
H26B0.53870.56580.32460.083*
C270.5643 (3)0.7872 (7)0.3226 (2)0.0785 (17)
H27A0.61570.84860.31780.094*
H27B0.51990.80520.28790.094*
C280.5278 (3)0.8288 (5)0.3796 (2)0.0639 (14)
H28A0.47290.77470.38220.077*
H28B0.51400.93390.37870.077*
C290.5924 (3)0.7953 (4)0.43506 (18)0.0464 (9)
H29A0.56480.81650.47160.056*
H29B0.64420.85870.43520.056*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Au0.03426 (8)0.03075 (8)0.02415 (8)0.00497 (5)0.00773 (5)0.00052 (4)
S10.0640 (6)0.0502 (5)0.0303 (4)0.0239 (5)0.0197 (4)0.0072 (4)
P10.0308 (4)0.0243 (4)0.0236 (4)0.0045 (3)0.0051 (3)0.0003 (3)
O1'0.055 (6)0.074 (8)0.083 (7)0.013 (5)0.005 (5)0.009 (5)
O2'0.073 (8)0.062 (7)0.075 (7)0.017 (6)0.007 (6)0.001 (5)
O10.048 (5)0.066 (6)0.236 (17)0.019 (4)0.036 (7)0.025 (7)
O20.069 (5)0.059 (4)0.050 (3)0.023 (4)0.002 (3)0.001 (3)
O30.0537 (15)0.0401 (13)0.0322 (13)0.0128 (12)0.0052 (11)0.0011 (10)
N10.060 (2)0.0513 (19)0.0279 (16)0.0101 (16)0.0094 (15)0.0009 (13)
C10.040 (2)0.0413 (19)0.0290 (17)0.0014 (16)0.0059 (15)0.0013 (13)
C2'0.053 (8)0.042 (6)0.020 (6)0.001 (6)0.005 (6)0.002 (5)
C3'0.021 (5)0.045 (7)0.021 (5)0.000 (5)0.001 (4)0.000 (5)
C4'0.028 (6)0.039 (6)0.025 (5)0.011 (5)0.002 (5)0.002 (4)
C5'0.021 (5)0.056 (7)0.028 (5)0.002 (6)0.007 (4)0.004 (5)
C6'0.042 (6)0.046 (6)0.040 (7)0.000 (5)0.005 (5)0.004 (5)
C7'0.036 (6)0.047 (6)0.052 (8)0.002 (5)0.009 (5)0.005 (5)
C8'0.041 (8)0.047 (7)0.046 (6)0.001 (6)0.016 (6)0.007 (5)
C9'0.091 (10)0.065 (8)0.111 (10)0.028 (7)0.008 (8)0.000 (7)
C20.044 (4)0.050 (5)0.022 (4)0.003 (4)0.013 (3)0.004 (4)
C30.042 (4)0.049 (4)0.030 (4)0.004 (4)0.009 (4)0.003 (3)
C40.040 (4)0.046 (4)0.028 (3)0.007 (3)0.006 (3)0.001 (3)
C50.040 (5)0.051 (4)0.025 (3)0.002 (4)0.011 (3)0.008 (3)
C60.033 (4)0.068 (5)0.045 (5)0.013 (4)0.008 (3)0.010 (4)
C70.058 (5)0.051 (4)0.038 (4)0.018 (4)0.005 (4)0.006 (3)
C80.053 (5)0.055 (5)0.060 (6)0.008 (5)0.007 (5)0.025 (5)
C90.080 (7)0.083 (6)0.103 (6)0.021 (5)0.002 (5)0.028 (5)
C100.073 (3)0.054 (2)0.042 (2)0.016 (2)0.001 (2)0.0075 (18)
C110.078 (4)0.064 (3)0.069 (3)0.027 (3)0.006 (3)0.015 (2)
C120.0331 (18)0.0319 (16)0.0288 (17)0.0026 (14)0.0065 (14)0.0008 (12)
C130.0352 (19)0.052 (2)0.0321 (18)0.0046 (18)0.0078 (15)0.0073 (16)
C140.040 (2)0.069 (3)0.046 (2)0.001 (2)0.0188 (18)0.0001 (19)
C150.033 (2)0.052 (2)0.059 (2)0.0048 (18)0.0105 (17)0.0015 (19)
C160.039 (2)0.040 (2)0.060 (3)0.0001 (17)0.0062 (19)0.0097 (17)
C170.0337 (18)0.0402 (18)0.0370 (18)0.0029 (16)0.0081 (14)0.0097 (15)
C180.0390 (19)0.0254 (15)0.0393 (19)0.0073 (15)0.0095 (15)0.0006 (13)
C190.048 (2)0.0258 (17)0.074 (3)0.0004 (16)0.007 (2)0.0015 (17)
C200.066 (3)0.0257 (19)0.116 (5)0.006 (2)0.019 (3)0.012 (2)
C210.076 (3)0.027 (2)0.125 (5)0.015 (2)0.031 (3)0.025 (2)
C220.061 (3)0.040 (2)0.086 (4)0.022 (2)0.018 (3)0.020 (2)
C230.055 (2)0.0330 (18)0.050 (2)0.0143 (17)0.0075 (19)0.0122 (15)
C240.0341 (18)0.0364 (17)0.0268 (16)0.0004 (15)0.0006 (14)0.0019 (13)
C250.051 (2)0.074 (3)0.0245 (18)0.002 (2)0.0027 (16)0.0080 (17)
C260.058 (3)0.118 (4)0.030 (2)0.007 (3)0.001 (2)0.003 (2)
C270.063 (3)0.122 (4)0.045 (3)0.019 (3)0.012 (2)0.045 (3)
C280.056 (3)0.071 (3)0.063 (3)0.009 (2)0.000 (2)0.037 (2)
C290.051 (2)0.0415 (19)0.045 (2)0.0075 (18)0.0026 (18)0.0104 (16)
Geometric parameters (Å, º) top
Au—S12.2954 (9)C12—C131.534 (4)
Au—P12.2638 (8)C12—C171.537 (5)
S1—C11.749 (4)C12—H120.9900
P1—C181.827 (3)C13—C141.522 (5)
P1—C241.842 (3)C13—H13A0.9800
P1—C121.842 (3)C13—H13B0.9800
O1'—C8'1.174 (14)C14—C151.509 (6)
O2'—C8'1.330 (13)C14—H14A0.9800
O2'—C9'1.523 (10)C14—H14B0.9800
O1—C81.188 (12)C15—C161.528 (5)
O2—C81.333 (12)C15—H15A0.9800
O2—C91.522 (8)C15—H15B0.9800
O3—C11.357 (4)C16—C171.522 (5)
O3—C101.455 (4)C16—H16A0.9800
N1—C11.260 (5)C16—H16B0.9800
N1—C2'1.383 (6)C17—H17A0.9800
N1—C21.429 (5)C17—H17B0.9800
C2'—C3'1.3900C18—C191.523 (5)
C2'—C7'1.3900C18—C231.537 (5)
C3'—C4'1.3900C18—H180.9900
C3'—H3'0.9400C19—C201.529 (4)
C4'—C5'1.3900C19—H19A0.9800
C4'—H4'0.9400C19—H19B0.9800
C5'—C6'1.3900C20—C211.522 (8)
C5'—C8'1.466 (9)C20—H20A0.9800
C6'—C7'1.3900C20—H20B0.9800
C6'—H6'0.9400C21—C221.501 (7)
C7'—H7'0.9400C21—H21A0.9800
C9'—H9A0.9700C21—H21B0.9800
C9'—H9B0.9700C22—C231.539 (4)
C9'—H9C0.9700C22—H22A0.9800
C2—C31.3900C22—H22B0.9800
C2—C71.3900C23—H23A0.9800
C3—C41.3900C23—H23B0.9800
C3—H30.9400C24—C251.518 (5)
C4—C51.3900C24—C291.523 (5)
C4—H40.9400C24—H240.9900
C5—C61.3900C25—C261.527 (6)
C5—C81.490 (8)C25—H25A0.9800
C6—C71.3900C25—H25B0.9800
C6—H60.9400C26—C271.511 (7)
C7—H70.9400C26—H26A0.9800
C9—H9D0.9700C26—H26B0.9800
C9—H9E0.9700C27—C281.497 (7)
C9—H9F0.9700C27—H27A0.9800
C10—C111.478 (6)C27—H27B0.9800
C10—H10A0.9800C28—C291.518 (6)
C10—H10B0.9800C28—H28A0.9800
C11—H11A0.9700C28—H28B0.9800
C11—H11B0.9700C29—H29A0.9800
C11—H11C0.9700C29—H29B0.9800
S1—Au—P1174.39 (3)C13—C14—H14B109.4
Au—S1—C1106.94 (12)H14A—C14—H14B108.0
C18—P1—C24106.50 (16)C14—C15—C16112.2 (3)
C18—P1—C12108.35 (15)C14—C15—H15A109.2
C24—P1—C12106.36 (15)C16—C15—H15A109.2
C18—P1—Au111.97 (11)C14—C15—H15B109.2
C24—P1—Au110.02 (11)C16—C15—H15B109.2
C12—P1—Au113.28 (10)H15A—C15—H15B107.9
C8'—O2'—C9'118.5 (11)C17—C16—C15110.8 (3)
C8—O2—C9119.4 (7)C17—C16—H16A109.5
C1—O3—C10115.4 (3)C15—C16—H16A109.5
C1—N1—C2'119.8 (10)C17—C16—H16B109.5
C1—N1—C2119.0 (6)C15—C16—H16B109.5
N1—C1—O3120.7 (3)H16A—C16—H16B108.1
N1—C1—S1125.1 (3)C16—C17—C12111.6 (3)
O3—C1—S1114.2 (2)C16—C17—H17A109.3
N1—C2'—C3'116.0 (11)C12—C17—H17A109.3
N1—C2'—C7'124.0 (11)C16—C17—H17B109.3
C3'—C2'—C7'120.0C12—C17—H17B109.3
C4'—C3'—C2'120.0H17A—C17—H17B108.0
C4'—C3'—H3'120.0C19—C18—C23110.5 (3)
C2'—C3'—H3'120.0C19—C18—P1110.0 (2)
C3'—C4'—C5'120.0C23—C18—P1110.0 (2)
C3'—C4'—H4'120.0C19—C18—H18108.8
C5'—C4'—H4'120.0C23—C18—H18108.8
C6'—C5'—C4'120.0P1—C18—H18108.8
C6'—C5'—C8'116.4 (10)C18—C19—C20111.1 (4)
C4'—C5'—C8'123.4 (10)C18—C19—H19A109.4
C5'—C6'—C7'120.0C20—C19—H19A109.4
C5'—C6'—H6'120.0C18—C19—H19B109.4
C7'—C6'—H6'120.0C20—C19—H19B109.4
C6'—C7'—C2'120.0H19A—C19—H19B108.0
C6'—C7'—H7'120.0C21—C20—C19112.2 (4)
C2'—C7'—H7'120.0C21—C20—H20A109.2
O1'—C8'—O2'122.6 (12)C19—C20—H20A109.2
O1'—C8'—C5'124.5 (14)C21—C20—H20B109.2
O2'—C8'—C5'112.8 (12)C19—C20—H20B109.2
C3—C2—C7120.0H20A—C20—H20B107.9
C3—C2—N1121.9 (7)C22—C21—C20110.9 (4)
C7—C2—N1118.0 (7)C22—C21—H21A109.5
C2—C3—C4120.0C20—C21—H21A109.5
C2—C3—H3120.0C22—C21—H21B109.5
C4—C3—H3120.0C20—C21—H21B109.5
C5—C4—C3120.0H21A—C21—H21B108.1
C5—C4—H4120.0C21—C22—C23111.3 (4)
C3—C4—H4120.0C21—C22—H22A109.4
C4—C5—C6120.0C23—C22—H22A109.4
C4—C5—C8123.1 (7)C21—C22—H22B109.4
C6—C5—C8116.9 (7)C23—C22—H22B109.4
C7—C6—C5120.0H22A—C22—H22B108.0
C7—C6—H6120.0C18—C23—C22110.8 (4)
C5—C6—H6120.0C18—C23—H23A109.5
C6—C7—C2120.0C22—C23—H23A109.5
C6—C7—H7120.0C18—C23—H23B109.5
C2—C7—H7120.0C22—C23—H23B109.5
O1—C8—O2122.5 (8)H23A—C23—H23B108.1
O1—C8—C5126.2 (11)C25—C24—C29111.9 (3)
O2—C8—C5111.2 (9)C25—C24—P1115.1 (3)
O2—C9—H9D109.5C29—C24—P1110.5 (2)
O2—C9—H9E109.5C25—C24—H24106.2
H9D—C9—H9E109.5C29—C24—H24106.2
O2—C9—H9F109.5P1—C24—H24106.2
H9D—C9—H9F109.5C24—C25—C26109.8 (3)
H9E—C9—H9F109.5C24—C25—H25A109.7
O3—C10—C11107.7 (3)C26—C25—H25A109.7
O3—C10—H10A110.2C24—C25—H25B109.7
C11—C10—H10A110.2C26—C25—H25B109.7
O3—C10—H10B110.2H25A—C25—H25B108.2
C11—C10—H10B110.2C27—C26—C25111.5 (4)
H10A—C10—H10B108.5C27—C26—H26A109.3
C10—C11—H11A109.5C25—C26—H26A109.3
C10—C11—H11B109.5C27—C26—H26B109.3
H11A—C11—H11B109.5C25—C26—H26B109.3
C10—C11—H11C109.5H26A—C26—H26B108.0
H11A—C11—H11C109.5C28—C27—C26111.2 (4)
H11B—C11—H11C109.5C28—C27—H27A109.4
C13—C12—C17109.7 (3)C26—C27—H27A109.4
C13—C12—P1116.2 (2)C28—C27—H27B109.4
C17—C12—P1112.9 (2)C26—C27—H27B109.4
C13—C12—H12105.7H27A—C27—H27B108.0
C17—C12—H12105.7C27—C28—C29111.5 (4)
P1—C12—H12105.7C27—C28—H28A109.3
C14—C13—C12111.5 (3)C29—C28—H28A109.3
C14—C13—H13A109.3C27—C28—H28B109.3
C12—C13—H13A109.3C29—C28—H28B109.3
C14—C13—H13B109.3H28A—C28—H28B108.0
C12—C13—H13B109.3C28—C29—C24111.1 (3)
H13A—C13—H13B108.0C28—C29—H29A109.4
C15—C14—C13111.2 (3)C24—C29—H29A109.4
C15—C14—H14A109.4C28—C29—H29B109.4
C13—C14—H14A109.4C24—C29—H29B109.4
C15—C14—H14B109.4H29A—C29—H29B108.0
C2'—N1—C1—O3170.1 (9)C4—C5—C8—O22.1 (12)
C2—N1—C1—O3178.0 (6)C6—C5—C8—O2179.5 (7)
C2'—N1—C1—S110.3 (10)C1—O3—C10—C11170.2 (4)
C2—N1—C1—S11.6 (7)C18—P1—C12—C1328.9 (3)
C10—O3—C1—N12.5 (5)C24—P1—C12—C1385.3 (3)
C10—O3—C1—S1177.8 (3)Au—P1—C12—C13153.7 (2)
Au—S1—C1—N1173.3 (3)C18—P1—C12—C1799.2 (3)
Au—S1—C1—O36.3 (3)C24—P1—C12—C17146.7 (2)
C1—N1—C2'—C3'105.7 (11)Au—P1—C12—C1725.7 (3)
C2—N1—C2'—C3'17 (7)C17—C12—C13—C1456.3 (4)
C1—N1—C2'—C7'73.4 (14)P1—C12—C13—C14174.1 (3)
C2—N1—C2'—C7'162 (9)C12—C13—C14—C1556.0 (4)
N1—C2'—C3'—C4'179.1 (18)C13—C14—C15—C1654.8 (5)
C7'—C2'—C3'—C4'0.0C14—C15—C16—C1754.6 (5)
C2'—C3'—C4'—C5'0.0C15—C16—C17—C1255.4 (4)
C3'—C4'—C5'—C6'0.0C13—C12—C17—C1656.3 (4)
C3'—C4'—C5'—C8'174.9 (16)P1—C12—C17—C16172.3 (2)
C4'—C5'—C6'—C7'0.0C24—P1—C18—C1956.0 (3)
C8'—C5'—C6'—C7'175.3 (15)C12—P1—C18—C19170.1 (3)
C5'—C6'—C7'—C2'0.0Au—P1—C18—C1964.3 (3)
N1—C2'—C7'—C6'179 (2)C24—P1—C18—C23178.0 (3)
C3'—C2'—C7'—C6'0.0C12—P1—C18—C2367.9 (3)
C9'—O2'—C8'—O1'0.1 (3)Au—P1—C18—C2357.7 (3)
C9'—O2'—C8'—C5'178.0 (15)C23—C18—C19—C2054.8 (5)
C6'—C5'—C8'—O1'13.0 (17)P1—C18—C19—C20176.5 (3)
C4'—C5'—C8'—O1'162.1 (12)C18—C19—C20—C2154.9 (6)
C6'—C5'—C8'—O2'168.9 (9)C19—C20—C21—C2255.4 (6)
C4'—C5'—C8'—O2'15.9 (15)C20—C21—C22—C2356.1 (6)
C1—N1—C2—C393.0 (8)C19—C18—C23—C2255.9 (4)
C2'—N1—C2—C3170 (9)P1—C18—C23—C22177.6 (3)
C1—N1—C2—C789.7 (8)C21—C22—C23—C1856.9 (5)
C2'—N1—C2—C78 (8)C18—P1—C24—C2558.4 (3)
C7—C2—C3—C40.0C12—P1—C24—C2557.0 (3)
N1—C2—C3—C4177.2 (11)Au—P1—C24—C25180.0 (3)
C2—C3—C4—C50.0C18—P1—C24—C29173.6 (3)
C3—C4—C5—C60.0C12—P1—C24—C2971.0 (3)
C3—C4—C5—C8177.3 (10)Au—P1—C24—C2952.0 (3)
C4—C5—C6—C70.0C29—C24—C25—C2654.9 (5)
C8—C5—C6—C7177.5 (9)P1—C24—C25—C26177.8 (3)
C5—C6—C7—C20.0C24—C25—C26—C2756.0 (5)
C3—C2—C7—C60.0C25—C26—C27—C2857.1 (5)
N1—C2—C7—C6177.3 (10)C26—C27—C28—C2956.0 (5)
C9—O2—C8—O12.3 (16)C27—C28—C29—C2454.7 (5)
C9—O2—C8—C5179.1 (8)C25—C24—C29—C2854.6 (5)
C4—C5—C8—O1176.3 (12)P1—C24—C29—C28175.7 (3)
C6—C5—C8—O11.1 (16)
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
C25—H25a···O1i0.982.653.363 (14)130
C16—H16a···O2ii0.982.673.427 (10)134
Symmetry codes: (i) x+1/2, y+3/2, z1/2; (ii) x+3/2, y1/2, z+3/2.
 

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