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The Au atom in the title compound, (c-C6H11)3PAu(S2CNEt2) or [Au(C18H33P)(C5H10NS2)], exists in a linear geometry so that Au-S is 2.3340 (11), Au-P is 2.2599 (10) Å and the angle at gold is 171.61 (4)°. The distortion from linearity may be traced to the close approach of the non-coordinating S atom which is separated from the Au atom by 3.0859 (13) Å.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536801019833/ob6095sup1.cif
Contains datablocks general, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536801019833/ob6095Isup2.hkl
Contains datablock I

CCDC reference: 177190

Key indicators

  • Single-crystal X-ray study
  • T = 223 K
  • Mean [sigma](C-C) = 0.008 Å
  • R factor = 0.042
  • wR factor = 0.115
  • Data-to-parameter ratio = 28.4

checkCIF results

No syntax errors found

ADDSYM reports no extra symmetry

General Notes

ABSTM_02 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 0.947 Tmax scaled 0.281 Tmin scaled 0.106

Computing details top

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

(I) top
Crystal data top
[Au(C5H10NS2)(C18H33P)]Z = 2
Mr = 625.64F(000) = 628
Triclinic, P1Dx = 1.639 Mg m3
a = 10.1697 (5) ÅMo Kα radiation, λ = 0.71069 Å
b = 11.7231 (6) ÅCell parameters from 10496 reflections
c = 12.3281 (6) Åθ = 1.8–30.0°
α = 71.710 (1)°µ = 6.04 mm1
β = 77.917 (1)°T = 223 K
γ = 65.803 (1)°Block, pale yellow
V = 1267.36 (11) Å30.39 × 0.31 × 0.21 mm
Data collection top
Bruker AXS SMART CCD
diffractometer
7203 independent reflections
Radiation source: fine-focus sealed tube6682 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.036
ω scansθmax = 30.0°, θmin = 1.8°
Absorption correction: empirical (using intensity measurements)
(SADABS; Bruker, 2000)
h = 1014
Tmin = 0.112, Tmax = 0.297k = 1016
10496 measured reflectionsl = 1717
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)] = 0.042Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.115H-atom parameters constrained
S = 1.05 w = 1/[σ2(Fo2) + (0.0897P)2]
where P = (Fo2 + 2Fc2)/3
7203 reflections(Δ/σ)max = 0.001
254 parametersΔρmax = 2.08 e Å3
0 restraintsΔρmin = 2.91 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*/Ueq
Au0.103226 (14)0.209295 (13)0.073086 (11)0.02813 (7)
S10.06378 (13)0.19700 (12)0.26916 (9)0.0369 (2)
S20.21121 (15)0.06779 (12)0.23008 (11)0.0407 (2)
P10.14999 (12)0.24639 (10)0.11962 (9)0.02572 (19)
N10.1791 (4)0.0146 (4)0.4317 (3)0.0301 (7)
C10.1556 (4)0.0309 (4)0.3198 (3)0.0292 (7)
C20.2524 (5)0.1529 (5)0.4823 (4)0.0390 (10)
H2A0.23050.20190.44180.048 (3)*
H2B0.21310.17400.56250.048 (3)*
C30.4129 (6)0.1959 (5)0.4784 (6)0.0513 (13)
H3A0.45360.28810.51340.058 (3)*
H3B0.43590.14970.52000.058 (3)*
H3C0.45330.17780.39920.058 (3)*
C40.1495 (5)0.0727 (5)0.5041 (4)0.0353 (9)
H4A0.13180.02830.58430.048 (3)*
H4B0.06140.14840.48260.048 (3)*
C50.2731 (6)0.1177 (6)0.4937 (5)0.0455 (11)
H5A0.24810.17530.54290.058 (3)*
H5B0.29010.16310.41480.058 (3)*
H5C0.36010.04330.51680.058 (3)*
C60.2519 (4)0.0960 (4)0.1648 (3)0.0253 (7)
H60.26800.11690.24960.038 (2)*
C70.3985 (4)0.0251 (4)0.1148 (4)0.0334 (8)
H7A0.38340.01140.03120.048 (3)*
H7B0.45720.07870.14540.048 (3)*
C80.4808 (5)0.1070 (5)0.1440 (6)0.0462 (12)
H8A0.50390.09310.22730.048 (3)*
H8B0.57210.15120.10810.048 (3)*
C90.3911 (5)0.1913 (5)0.1023 (6)0.0468 (12)
H9A0.37540.21180.01830.048 (3)*
H9B0.44370.27280.12480.048 (3)*
C100.2473 (5)0.1236 (5)0.1521 (5)0.0437 (11)
H10A0.18970.17830.12150.048 (3)*
H10B0.26310.11040.23560.048 (3)*
C110.1630 (5)0.0079 (4)0.1236 (5)0.0356 (9)
H11A0.07240.05090.16040.048 (3)*
H11B0.13850.00600.04050.048 (3)*
C120.2686 (5)0.3419 (4)0.1676 (4)0.0324 (8)
H120.36640.27850.14820.038 (2)*
C130.2866 (6)0.4016 (5)0.2954 (4)0.0410 (10)
H13A0.19300.46580.32080.048 (3)*
H13B0.31810.33410.33650.048 (3)*
C140.3974 (8)0.4669 (6)0.3253 (5)0.0515 (14)
H14A0.49400.40080.31070.048 (3)*
H14B0.39920.51140.40720.048 (3)*
C150.3612 (6)0.5633 (5)0.2553 (5)0.0474 (12)
H15A0.43870.59730.27140.048 (3)*
H15B0.27140.63600.27840.048 (3)*
C160.3433 (6)0.5028 (5)0.1277 (5)0.0440 (11)
H16A0.43660.43770.10260.048 (3)*
H16B0.31300.56970.08600.048 (3)*
C170.2328 (6)0.4403 (5)0.0987 (4)0.0432 (11)
H17A0.13690.50720.11470.048 (3)*
H17B0.22920.39700.01660.048 (3)*
C180.0196 (5)0.3279 (5)0.1949 (4)0.0377 (9)
H180.08280.27890.15460.038 (2)*
C190.0006 (5)0.3262 (5)0.3199 (4)0.0383 (10)
H19A0.04340.23650.32600.048 (3)*
H19B0.06450.37080.36360.048 (3)*
C200.1491 (7)0.3936 (6)0.3712 (5)0.0514 (13)
H20A0.13390.39840.45350.048 (3)*
H20B0.20930.34210.33440.048 (3)*
C210.2267 (7)0.5284 (6)0.3539 (6)0.0583 (15)
H21A0.32160.56730.38400.048 (3)*
H21B0.17070.58220.39640.048 (3)*
C220.2464 (6)0.5245 (7)0.2272 (6)0.0609 (17)
H22A0.30650.47420.18520.048 (3)*
H22B0.29610.61250.21750.048 (3)*
C230.0998 (6)0.4633 (5)0.1787 (5)0.0492 (12)
H23A0.04200.51660.21760.048 (3)*
H23B0.11380.45980.09670.048 (3)*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Au0.03258 (10)0.03244 (10)0.01675 (9)0.01078 (7)0.00248 (6)0.00442 (6)
S10.0424 (5)0.0392 (6)0.0177 (4)0.0048 (4)0.0032 (4)0.0061 (4)
S20.0594 (7)0.0392 (6)0.0296 (5)0.0222 (5)0.0094 (5)0.0083 (4)
P10.0329 (5)0.0237 (4)0.0163 (4)0.0070 (4)0.0023 (3)0.0041 (3)
N10.0330 (16)0.0363 (17)0.0193 (15)0.0138 (13)0.0059 (12)0.0011 (13)
C10.0289 (16)0.041 (2)0.0214 (18)0.0184 (15)0.0022 (13)0.0050 (15)
C20.046 (2)0.040 (2)0.030 (2)0.0227 (19)0.0102 (18)0.0054 (17)
C30.042 (2)0.038 (3)0.060 (4)0.007 (2)0.006 (2)0.005 (2)
C40.036 (2)0.051 (3)0.0168 (18)0.0148 (18)0.0002 (14)0.0091 (17)
C50.051 (3)0.050 (3)0.046 (3)0.021 (2)0.000 (2)0.025 (2)
C60.0274 (16)0.0233 (16)0.0223 (17)0.0060 (13)0.0058 (13)0.0042 (13)
C70.0277 (17)0.0324 (19)0.043 (2)0.0096 (15)0.0078 (16)0.0129 (17)
C80.031 (2)0.036 (2)0.069 (4)0.0055 (18)0.007 (2)0.020 (2)
C90.044 (3)0.027 (2)0.068 (3)0.0063 (18)0.017 (2)0.012 (2)
C100.044 (2)0.034 (2)0.060 (3)0.0132 (19)0.017 (2)0.016 (2)
C110.0309 (18)0.0297 (19)0.050 (3)0.0106 (15)0.0096 (17)0.0117 (18)
C120.048 (2)0.0290 (18)0.0209 (18)0.0160 (17)0.0013 (15)0.0077 (14)
C130.055 (3)0.050 (3)0.025 (2)0.030 (2)0.0073 (18)0.0137 (19)
C140.073 (4)0.049 (3)0.038 (3)0.037 (3)0.016 (3)0.012 (2)
C150.058 (3)0.039 (3)0.047 (3)0.025 (2)0.001 (2)0.009 (2)
C160.060 (3)0.037 (2)0.042 (3)0.023 (2)0.008 (2)0.012 (2)
C170.069 (3)0.040 (2)0.031 (2)0.029 (2)0.006 (2)0.0165 (19)
C180.0346 (19)0.041 (2)0.027 (2)0.0001 (17)0.0073 (16)0.0110 (17)
C190.045 (2)0.039 (2)0.023 (2)0.0051 (18)0.0093 (17)0.0085 (17)
C200.057 (3)0.050 (3)0.046 (3)0.015 (2)0.022 (2)0.007 (2)
C210.055 (3)0.045 (3)0.063 (4)0.003 (2)0.026 (3)0.006 (3)
C220.043 (3)0.059 (3)0.061 (4)0.010 (2)0.016 (3)0.021 (3)
C230.051 (3)0.046 (3)0.048 (3)0.004 (2)0.009 (2)0.025 (2)
Geometric parameters (Å, º) top
Au—P12.2599 (10)C5—H5A0.9700
Au—S12.3340 (11)C5—H5B0.9700
S1—C11.745 (4)C5—H5C0.9700
S2—C11.699 (4)C6—H60.9900
P1—C61.836 (4)C7—H7A0.9800
P1—C121.858 (5)C7—H7B0.9800
P1—C181.874 (4)C8—H8A0.9800
N1—C11.348 (5)C8—H8B0.9800
N1—C41.464 (6)C9—H9A0.9800
N1—C21.464 (6)C9—H9B0.9800
C2—C31.492 (7)C10—H10A0.9800
C4—C51.519 (7)C10—H10B0.9800
C6—C71.530 (5)C11—H11A0.9800
C6—C111.544 (6)C11—H11B0.9800
C7—C81.546 (6)C12—H120.9900
C8—C91.516 (7)C13—H13A0.9800
C9—C101.505 (7)C13—H13B0.9800
C10—C111.537 (6)C14—H14A0.9800
C12—C131.515 (6)C14—H14B0.9800
C12—C171.524 (6)C15—H15A0.9800
C13—C141.532 (7)C15—H15B0.9800
C14—C151.516 (8)C16—H16A0.9800
C15—C161.516 (8)C16—H16B0.9800
C16—C171.507 (7)C17—H17A0.9800
C18—C191.518 (6)C17—H17B0.9800
C18—C231.515 (7)C18—H180.9900
C19—C201.553 (7)C19—H19A0.9800
C20—C211.511 (8)C19—H19B0.9800
C21—C221.521 (10)C20—H20A0.9800
C22—C231.524 (8)C20—H20B0.9800
C2—H2A0.9800C21—H21A0.9800
C2—H2B0.9800C21—H21B0.9800
C3—H3A0.9700C22—H22A0.9800
C3—H3B0.9700C22—H22B0.9800
C3—H3C0.9700C23—H23A0.9800
C4—H4A0.9800C23—H23B0.9800
C4—H4B0.9800
P1—Au—S1171.61 (4)C7—C8—H8B109.4
C1—S1—Au98.38 (14)H8A—C8—H8B108.0
C6—P1—C12105.79 (19)C10—C9—H9A109.5
C6—P1—C18106.16 (19)C8—C9—H9A109.5
C12—P1—C18112.0 (2)C10—C9—H9B109.5
C6—P1—Au112.06 (13)C8—C9—H9B109.5
C12—P1—Au108.40 (14)H9A—C9—H9B108.1
C18—P1—Au112.27 (15)C9—C10—H10A109.3
C1—N1—C4121.5 (4)C11—C10—H10A109.3
C1—N1—C2121.2 (4)C9—C10—H10B109.3
C4—N1—C2116.8 (4)C11—C10—H10B109.3
N1—C1—S2122.2 (3)H10A—C10—H10B108.0
N1—C1—S1117.4 (3)C10—C11—H11A109.3
S2—C1—S1120.5 (2)C6—C11—H11A109.3
N1—C2—C3114.2 (4)C10—C11—H11B109.3
N1—C4—C5112.7 (4)C6—C11—H11B109.3
C7—C6—C11109.5 (3)H11A—C11—H11B108.0
C7—C6—P1110.9 (3)C13—C12—H12104.9
C11—C6—P1109.2 (3)C17—C12—H12104.9
C6—C7—C8111.6 (4)P1—C12—H12104.9
C9—C8—C7111.1 (4)C12—C13—H13A109.3
C8—C9—C10110.7 (5)C14—C13—H13A109.3
C9—C10—C11111.6 (4)C12—C13—H13B109.3
C6—C11—C10111.6 (4)C14—C13—H13B109.3
C13—C12—C17111.5 (4)H13A—C13—H13B107.9
C13—C12—P1116.6 (3)C15—C14—H14A109.4
C17—C12—P1112.7 (3)C13—C14—H14A109.4
C12—C13—C14111.7 (4)C15—C14—H14B109.4
C15—C14—C13111.4 (5)C13—C14—H14B109.4
C16—C15—C14111.9 (4)H14A—C14—H14B108.0
C17—C16—C15111.7 (4)C14—C15—H15A109.2
C16—C17—C12111.6 (4)C16—C15—H15A109.2
C19—C18—C23112.1 (4)C14—C15—H15B109.2
C19—C18—P1115.6 (3)C16—C15—H15B109.2
C23—C18—P1110.2 (4)H15A—C15—H15B107.9
C18—C19—C20110.5 (4)C17—C16—H16A109.3
C21—C20—C19111.2 (5)C15—C16—H16A109.3
C20—C21—C22110.6 (5)C17—C16—H16B109.3
C21—C22—C23110.2 (5)C15—C16—H16B109.3
C18—C23—C22110.6 (5)H16A—C16—H16B107.9
N1—C2—H2A108.7C16—C17—H17A109.3
C3—C2—H2A108.7C12—C17—H17A109.3
N1—C2—H2B108.7C16—C17—H17B109.3
C3—C2—H2B108.7C12—C17—H17B109.3
H2A—C2—H2B107.6H17A—C17—H17B108.0
C2—C3—H3A109.5C23—C18—H18106.1
C2—C3—H3B109.5C19—C18—H18106.1
H3A—C3—H3B109.5P1—C18—H18106.1
C2—C3—H3C109.5C18—C19—H19A109.6
H3A—C3—H3C109.5C20—C19—H19A109.6
H3B—C3—H3C109.5C18—C19—H19B109.6
N1—C4—H4A109.0C20—C19—H19B109.6
C5—C4—H4A109.0H19A—C19—H19B108.1
N1—C4—H4B109.0C21—C20—H20A109.4
C5—C4—H4B109.0C19—C20—H20A109.4
H4A—C4—H4B107.8C21—C20—H20B109.4
C4—C5—H5A109.5C19—C20—H20B109.4
C4—C5—H5B109.5H20A—C20—H20B108.0
H5A—C5—H5B109.5C20—C21—H21A109.5
C4—C5—H5C109.5C22—C21—H21A109.5
H5A—C5—H5C109.5C20—C21—H21B109.5
H5B—C5—H5C109.5C22—C21—H21B109.5
C7—C6—H6109.1H21A—C21—H21B108.1
C11—C6—H6109.1C21—C22—H22A109.6
P1—C6—H6109.1C23—C22—H22A109.6
C6—C7—H7A109.3C21—C22—H22B109.6
C8—C7—H7A109.3C23—C22—H22B109.6
C6—C7—H7B109.3H22A—C22—H22B108.1
C8—C7—H7B109.3C18—C23—H23A109.5
H7A—C7—H7B108.0C22—C23—H23A109.5
C9—C8—H8A109.4C18—C23—H23B109.5
C7—C8—H8A109.4C22—C23—H23B109.5
C9—C8—H8B109.4H23A—C23—H23B108.1
 

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