Download citation
Download citation
link to html
The Au atom in the title compound, [Au(C7H5N2)(C18H15P)], displays linear coordination [Au-P = 2.232 (2) Å, Au-N = 2.022 (5) Å and P-Au-N = 179.6 (1)°].

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536804005471/cf6334sup1.cif
Contains datablocks I, global

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536804005471/cf6334Isup2.hkl
Contains datablock I

CCDC reference: 238644

Key indicators

  • Single-crystal X-ray study
  • T = 298 K
  • Mean [sigma](N-C) = 0.008 Å
  • R factor = 0.040
  • wR factor = 0.108
  • Data-to-parameter ratio = 20.7

checkCIF/PLATON results

No syntax errors found



Alert level C ABSTM02_ALERT_3_C The ratio of expected to reported Tmax/Tmin(RR) is > 1.10 Tmin and Tmax reported: 0.122 0.258 Tmin and Tmax expected: 0.101 0.258 RR = 1.210 Please check that your absorption correction is appropriate. PLAT060_ALERT_3_C Ratio Tmax/Tmin (Exp-to-Rep) (too) Large ....... 1.22 PLAT094_ALERT_2_C Ratio of Maximum / Minimum Residual Density .... 2.15 PLAT165_ALERT_3_C Nr. of Status R Flagged Non-Hydrogen Atoms ..... 24 PLAT241_ALERT_2_C Check High U(eq) as Compared to Neighbors .... N2 PLAT241_ALERT_2_C Check High U(eq) as Compared to Neighbors .... C9
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 6 ALERT level C = Check and explain 0 ALERT level G = General alerts; check 0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 3 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 0 ALERT type 4 Improvement, methodology, query or suggestion

Computing details top

Data collection: SMART (Bruker, 1999); cell refinement: SAINT (Bruker, 1999); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ORTEPII (Johnson, 1976); software used to prepare material for publication: SHELXL97.

Indolyl(triphenylphosphine)gold(I) top
Crystal data top
[Au(C7H5N2)(C18H15P)]Z = 2
Mr = 576.37F(000) = 556
Triclinic, P1Dx = 1.741 Mg m3
Hall symbol: -P 1Mo Kα radiation, λ = 0.71073 Å
a = 6.5683 (3) ÅCell parameters from 4902 reflections
b = 11.5851 (4) Åθ = 2.0–26.4°
c = 15.1189 (5) ŵ = 6.78 mm1
α = 103.011 (1)°T = 298 K
β = 97.442 (1)°Column, colorless
γ = 96.551 (1)°0.50 × 0.30 × 0.20 mm
V = 1099.20 (7) Å3
Data collection top
Bruker SMART area-detector
diffractometer
4433 independent reflections
Radiation source: medium-focus sealed tube4022 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.038
φ and ω scanθmax = 26.4°, θmin = 2.0°
Absorption correction: multi-scan
(SADABS; Bruker, 1999)
h = 87
Tmin = 0.122, Tmax = 0.258k = 1414
6827 measured reflectionsl = 1818
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)] = 0.040Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.108H-atom parameters constrained
S = 1.03 w = 1/[σ2(Fo2) + (0.043P)2 + 0.3535P]
where P = (Fo2 + 2Fc2)/3
4433 reflections(Δ/σ)max = 0.001
214 parametersΔρmax = 1.85 e Å3
0 restraintsΔρmin = 0.86 e Å3
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
Au10.81614 (3)0.46792 (2)0.22097 (1)0.0522 (1)
P10.5660 (2)0.3199 (1)0.2201 (1)0.0486 (3)
N11.0419 (8)0.6029 (4)0.2225 (3)0.051 (1)
N21.361 (1)0.6924 (6)0.2089 (5)0.086 (1)
C10.4393 (6)0.3489 (3)0.3211 (2)0.052 (1)
C20.4142 (7)0.2668 (3)0.3747 (3)0.067 (2)
C30.3124 (8)0.2929 (4)0.4502 (3)0.080 (2)
C40.2358 (7)0.4009 (4)0.4723 (2)0.070 (2)
C50.2609 (7)0.4830 (3)0.4187 (3)0.067 (2)
C60.3627 (7)0.4570 (3)0.3431 (2)0.061 (2)
C70.6573 (6)0.1784 (3)0.2155 (3)0.053 (1)
C80.5656 (7)0.0750 (4)0.1497 (3)0.079 (2)
C90.6425 (9)0.0321 (3)0.1484 (4)0.101 (3)
C100.8112 (9)0.0359 (3)0.2130 (4)0.092 (3)
C110.9030 (7)0.0675 (4)0.2788 (3)0.078 (2)
C120.8260 (6)0.1747 (3)0.2801 (3)0.067 (2)
C130.3624 (6)0.2960 (4)0.1221 (2)0.054 (1)
C140.1669 (7)0.2360 (5)0.1224 (3)0.083 (2)
C150.0113 (6)0.2191 (5)0.0471 (3)0.097 (3)
C160.0513 (7)0.2623 (5)0.0286 (3)0.094 (3)
C170.2468 (8)0.3223 (4)0.0289 (2)0.079 (2)
C180.4024 (6)0.3392 (4)0.0464 (3)0.063 (2)
C191.0967 (6)0.7050 (3)0.2911 (2)0.051 (1)
C200.9858 (6)0.7521 (4)0.3596 (3)0.060 (1)
C211.0682 (8)0.8587 (4)0.4238 (3)0.079 (2)
C221.2614 (8)0.9182 (3)0.4195 (3)0.083 (2)
C231.3723 (6)0.8710 (4)0.3510 (3)0.077 (2)
C241.2899 (6)0.7644 (4)0.2868 (3)0.060 (1)
C251.208 (1)0.5960 (6)0.1756 (5)0.062 (2)
H20.46550.19450.35990.080*
H30.29560.23790.48610.096*
H40.16770.41840.52280.084*
H50.20960.55530.43350.081*
H60.37950.51190.30730.074*
H80.45270.07750.10650.095*
H90.58120.10130.10440.121*
H100.86270.10760.21210.111*
H111.01580.06500.32200.094*
H120.88740.24390.32410.080*
H140.14010.20710.17300.099*
H150.11950.17890.04730.117*
H160.05280.25100.07900.113*
H170.27360.35120.07950.094*
H180.53320.37930.04620.076*
H200.85650.71230.36240.072*
H210.99400.89020.46960.095*
H221.31650.98950.46240.099*
H231.50160.91080.34810.093*
H251.21600.53260.12660.075*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Au10.0584 (2)0.0477 (2)0.0546 (2)0.0044 (1)0.0148 (1)0.0197 (1)
P10.0539 (8)0.0488 (7)0.0474 (7)0.0059 (6)0.0142 (6)0.0176 (6)
N10.055 (3)0.048 (3)0.056 (3)0.008 (2)0.018 (2)0.021 (2)
N20.083 (4)0.083 (4)0.104 (5)0.013 (3)0.038 (4)0.036 (4)
C10.051 (3)0.062 (3)0.040 (2)0.002 (2)0.008 (2)0.013 (2)
C20.082 (4)0.063 (4)0.063 (3)0.008 (3)0.028 (3)0.024 (3)
C30.099 (6)0.091 (5)0.064 (4)0.012 (4)0.038 (4)0.034 (4)
C40.068 (4)0.090 (5)0.055 (3)0.014 (4)0.019 (3)0.016 (3)
C50.067 (4)0.081 (4)0.055 (3)0.025 (3)0.009 (3)0.012 (3)
C60.069 (4)0.074 (4)0.049 (3)0.020 (3)0.012 (3)0.023 (3)
C70.057 (3)0.051 (3)0.058 (3)0.002 (2)0.022 (3)0.019 (2)
C80.102 (6)0.054 (4)0.077 (4)0.012 (4)0.000 (4)0.014 (3)
C90.149 (9)0.059 (4)0.093 (6)0.027 (5)0.010 (6)0.012 (4)
C100.125 (9)0.065 (5)0.104 (7)0.034 (5)0.034 (6)0.039 (5)
C110.076 (4)0.080 (5)0.094 (5)0.023 (4)0.020 (4)0.044 (4)
C120.061 (4)0.064 (4)0.078 (4)0.007 (3)0.011 (3)0.026 (3)
C130.061 (3)0.061 (3)0.044 (3)0.012 (3)0.015 (2)0.015 (2)
C140.058 (4)0.133 (7)0.059 (4)0.001 (4)0.013 (3)0.031 (4)
C150.063 (4)0.149 (8)0.076 (5)0.002 (5)0.007 (4)0.028 (5)
C160.096 (6)0.133 (8)0.057 (4)0.047 (6)0.004 (4)0.019 (4)
C170.103 (6)0.091 (5)0.050 (3)0.036 (5)0.019 (4)0.019 (3)
C180.083 (4)0.064 (4)0.050 (3)0.021 (3)0.021 (3)0.019 (3)
C190.056 (3)0.047 (3)0.057 (3)0.009 (2)0.014 (2)0.024 (2)
C200.069 (4)0.052 (3)0.067 (4)0.005 (3)0.026 (3)0.023 (3)
C210.107 (6)0.061 (4)0.072 (4)0.014 (4)0.030 (4)0.012 (3)
C220.091 (5)0.063 (4)0.084 (5)0.005 (4)0.007 (4)0.006 (4)
C230.066 (4)0.064 (4)0.097 (5)0.004 (3)0.011 (4)0.019 (4)
C240.059 (3)0.058 (3)0.069 (4)0.008 (3)0.017 (3)0.024 (3)
C250.078 (4)0.057 (3)0.066 (4)0.017 (3)0.035 (3)0.026 (3)
Geometric parameters (Å, º) top
Au1—N12.022 (5)C10—H100.93
Au1—P12.232 (2)C11—C121.39
P1—C11.817 (3)C11—H110.93
P1—C71.799 (3)C12—H120.93
P1—C131.810 (3)C13—C141.39
N1—C191.363 (6)C13—C181.39
N1—C251.378 (8)C14—C151.39
N2—C251.36 (1)C14—H140.93
N2—C241.444 (8)C15—C161.39
C1—C21.39C15—H150.93
C1—C61.39C16—C171.39
C2—C31.39C16—H160.93
C2—H20.93C17—C181.39
C3—C41.39C17—H170.93
C3—H30.93C18—H180.93
C4—C51.39C19—C201.39
C4—H40.93C19—C241.39
C5—C61.39C20—C211.39
C5—H50.93C20—H200.93
C6—H60.93C21—C221.39
C7—C81.39C21—H210.93
C7—C121.39C22—C231.39
C8—C91.39C22—H220.93
C8—H80.93C23—C241.39
C9—C101.39C23—H230.93
C9—H90.93C25—H250.93
C10—C111.39
N1—Au1—P1179.6 (1)C12—C11—H11120.0
C1—P1—C7105.8 (2)C11—C12—C7120.0
C1—P1—C13106.0 (2)C11—C12—H12120.0
C7—P1—C13106.5 (2)C7—C12—H12120.0
C1—P1—Au1113.0 (2)C14—C13—C18120.0
C7—P1—Au1113.4 (2)C14—C13—P1120.6 (2)
C13—P1—Au1111.6 (2)C18—C13—P1119.4 (2)
C19—N1—C25105.0 (5)C13—C14—C15120.0
C19—N1—Au1124.8 (3)C13—C14—H14120.0
C25—N1—Au1127.1 (4)C15—C14—H14120.0
C25—N2—C24105.1 (5)C14—C15—C16120.0
C2—C1—C6120.0C14—C15—H15120.0
C2—C1—P1122.5 (2)C16—C15—H15120.0
C6—C1—P1117.5 (2)C17—C16—C15120.0
C1—C2—C3120.0C17—C16—H16120.0
C1—C2—H2120.0C15—C16—H16120.0
C3—C2—H2120.0C16—C17—C18120.0
C4—C3—C2120.0C16—C17—H17120.0
C4—C3—H3120.0C18—C17—H17120.0
C2—C3—H3120.0C17—C18—C13120.0
C5—C4—C3120.0C17—C18—H18120.0
C5—C4—H4120.0C13—C18—H18120.0
C3—C4—H4120.0N1—C19—C20128.5 (3)
C4—C5—C6120.0N1—C19—C24111.5 (3)
C4—C5—H5120.0C20—C19—C24120.0
C6—C5—H5120.0C19—C20—C21120.0
C5—C6—C1120.0C19—C20—H20120.0
C5—C6—H6120.0C21—C20—H20120.0
C1—C6—H6120.0C20—C21—C22120.0
C8—C7—C12120.0C20—C21—H21120.0
C8—C7—P1122.0 (2)C22—C21—H21120.0
C12—C7—P1118.0 (2)C23—C22—C21120.0
C7—C8—C9120.0C23—C22—H22120.0
C7—C8—H8120.0C21—C22—H22120.0
C9—C8—H8120.0C24—C23—C22120.0
C8—C9—C10120.0C24—C23—H23120.0
C8—C9—H9120.0C22—C23—H23120.0
C10—C9—H9120.0C23—C24—C19120.0
C11—C10—C9120.0C23—C24—N2134.3 (4)
C11—C10—H10120.0C19—C24—N2105.7 (4)
C9—C10—H10120.0N2—C25—N1112.7 (6)
C10—C11—C12120.0N2—C25—H25123.7
C10—C11—H11120.0N1—C25—H25123.7
C7—P1—C1—C24.2 (3)C7—P1—C13—C18105.1 (3)
C13—P1—C1—C2108.6 (3)C1—P1—C13—C18142.6 (3)
Au1—P1—C1—C2128.8 (2)Au1—P1—C13—C1819.1 (3)
C7—P1—C1—C6177.0 (2)P1—C13—C14—C15179.4 (4)
C13—P1—C1—C670.2 (3)P1—C13—C18—C17179.5 (4)
Au1—P1—C1—C652.4 (3)C25—N1—C19—C20178.3 (4)
P1—C1—C2—C3178.8 (3)Au1—N1—C19—C2017.2 (6)
P1—C1—C6—C5178.8 (3)C25—N1—C19—C241.9 (5)
C13—P1—C7—C84.1 (3)Au1—N1—C19—C24163.1 (3)
C1—P1—C7—C8108.3 (3)N1—C19—C20—C21179.7 (5)
Au1—P1—C7—C8127.3 (3)C22—C23—C24—N2179.9 (6)
C13—P1—C7—C12175.4 (3)N1—C19—C24—C23179.7 (4)
C1—P1—C7—C1272.2 (3)N1—C19—C24—N20.2 (5)
Au1—P1—C7—C1252.2 (3)C20—C19—C24—N2179.9 (4)
P1—C7—C8—C9179.5 (4)C25—N2—C24—C23178.4 (4)
P1—C7—C12—C11179.5 (3)C25—N2—C24—C191.6 (6)
C7—P1—C13—C1475.5 (3)C24—N2—C25—N13.0 (8)
C1—P1—C13—C1436.9 (3)C19—N1—C25—N23.1 (7)
Au1—P1—C13—C14160.3 (2)Au1—N1—C25—N2163.6 (5)
 

Follow Acta Cryst. E
Sign up for e-alerts
Follow Acta Cryst. on Twitter
Follow us on facebook
Sign up for RSS feeds