Download citation
Download citation
link to html
The reaction of gold(III) chloride and 4,4′-bipyridine yields the compound (C10H8N2)[AuCl3]2, which is converted to the ionic title compound (C10H10N2)[AuCl4]Cl upon recrystallization from DMSO. The AuIII ion in the tetra­chloro­aurate anion exhibits a square-planar geometry; this anion is linked to the bipyridinium cation by an N—H...·Cl hydrogen bond to form chains which extend parallel to the b axis. The bipyridinium cation exhibits 2 symmetry, whereas the tetra­chloro­aurate anion shows 2/m symmetry, and the chloride anion is located on a position with 222 symmetry.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536806029199/wm2030sup1.cif
Contains datablocks global, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536806029199/wm2030Isup2.hkl
Contains datablock I

CCDC reference: 621517

Key indicators

  • Single-crystal X-ray study
  • T = 291 K
  • Mean [sigma](C-C) = 0.005 Å
  • R factor = 0.022
  • wR factor = 0.061
  • Data-to-parameter ratio = 17.8

checkCIF/PLATON results

No syntax errors found



Alert level C PLAT062_ALERT_4_C Rescale T(min) & T(max) by ..................... 0.52 PLAT152_ALERT_1_C Supplied and Calc Volume s.u. Inconsistent ..... ? PLAT764_ALERT_4_C Overcomplete CIF Bond List Detected (Rep/Expd) . 1.11 Ratio
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 0.522 Tmax scaled 0.116 Tmin scaled 0.055
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 3 ALERT level C = Check and explain 1 ALERT level G = General alerts; check 1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 0 ALERT type 2 Indicator that the structure model may be wrong or deficient 1 ALERT type 3 Indicator that the structure quality may be low 2 ALERT type 4 Improvement, methodology, query or suggestion 0 ALERT type 5 Informative message, check

Computing details top

Data collection: SMART (Bruker, 2004); cell refinement: SAINT (Bruker, 2004); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: SHELXTL (Bruker, 2004); software used to prepare material for publication: SHELXL97.

4,4'-Bipyridinium tetrachloroaurate(III) chloride top
Crystal data top
(C10H10N2)[AuCl4]ClF(000) = 992
Mr = 532.42Dx = 2.379 Mg m3
Orthorhombic, IbamMo Kα radiation, λ = 0.71073 Å
Hall symbol: -I 2 2cCell parameters from 2759 reflections
a = 7.8216 (5) Åθ = 3.0–28.3°
b = 12.9012 (9) ŵ = 10.78 mm1
c = 14.732 (1) ÅT = 291 K
V = 1486.5 (2) Å3Block, yellow
Z = 40.32 × 0.20 × 0.20 mm
Data collection top
Bruker APEX area-detector
diffractometer
891 independent reflections
Radiation source: fine-focus sealed tube794 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.032
φ and ω scansθmax = 27.5°, θmin = 2.8°
Absorption correction: multi-scan
(SADABS; Sheldrick, 1996)
h = 910
Tmin = 0.105, Tmax = 0.222k = 1516
4351 measured reflectionsl = 1916
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)] = 0.022Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.061H atoms treated by a mixture of independent and constrained refinement
S = 1.15 w = 1/[σ2(Fo2) + (0.0343P)2 + 1.1366P]
where P = (Fo2 + 2Fc2)/3
891 reflections(Δ/σ)max = 0.001
50 parametersΔρmax = 0.97 e Å3
1 restraintΔρmin = 1.69 e Å3
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
Au10.50000.50000.50000.02877 (12)
Cl10.50000.50000.75000.0651 (9)
Cl20.3637 (2)0.34371 (8)0.50000.0395 (3)
Cl30.7566 (2)0.41593 (8)0.50000.0454 (3)
N10.50000.7322 (4)0.75000.042 (1)
C10.5665 (5)0.7823 (3)0.8214 (3)0.0421 (8)
C20.5674 (5)0.8880 (2)0.8233 (2)0.0360 (7)
C30.50000.9428 (4)0.75000.029 (1)
H1n0.50000.6663 (9)0.75000.07 (3)*
H10.61200.74490.86970.050*
H20.61250.92310.87300.043*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Au10.0325 (2)0.0177 (2)0.0361 (2)0.0016 (1)0.0000.000
Cl10.093 (2)0.0132 (11)0.089 (2)0.0000.0000.000
Cl20.0441 (6)0.0220 (5)0.0526 (7)0.0038 (5)0.0000.000
Cl30.0359 (6)0.0296 (6)0.0707 (8)0.0074 (5)0.0000.000
N10.044 (3)0.015 (3)0.066 (4)0.0000.011 (2)0.000
C10.047 (2)0.026 (2)0.054 (2)0.003 (2)0.004 (2)0.011 (2)
C20.043 (2)0.025 (2)0.040 (2)0.001 (1)0.003 (2)0.004 (1)
C30.033 (3)0.016 (3)0.037 (3)0.0000.006 (2)0.000
Geometric parameters (Å, º) top
Au1—Cl22.281 (1)C2—C31.394 (4)
Au1—Cl2i2.281 (1)C3—C2ii1.394 (4)
Au1—Cl32.282 (1)C3—C3iii1.48 (1)
Au1—Cl3i2.282 (1)N1—H1n0.85 (1)
N1—C1ii1.340 (5)C1—H10.93
N1—C11.340 (5)C2—H20.93
C1—C21.365 (5)
Cl2—Au1—Cl2i180C2—C3—C2ii119.1 (5)
Cl2—Au1—Cl389.49 (4)C2—C3—C3iii120.5 (2)
Cl2—Au1—Cl3i90.51 (4)C2ii—C3—C3iii120.5 (2)
Cl2i—Au1—Cl390.51 (4)C1ii—N1—H1n118.8 (3)
Cl2i—Au1—Cl3i89.49 (4)C1—N1—H1n118.8 (3)
Cl3—Au1—Cl3i180N1—C1—H1120.0
C1ii—N1—C1122.3 (5)C2—C1—H1120.0
N1—C1—C2120.0 (4)C1—C2—H2120.4
C1—C2—C3119.3 (4)C3—C2—H2120.4
C1ii—N1—C1—C20.3 (3)C1—C2—C3—C2ii0.3 (3)
N1—C1—C2—C30.6 (6)C1—C2—C3—C3iii179.7 (3)
Symmetry codes: (i) x+1, y+1, z+1; (ii) x+1, y, z+3/2; (iii) x+1, y+2, z.
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
N1—H1n···Cl10.85 (1)2.15 (1)2.995 (6)180
 

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