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The title compound, [KAuCl4(C10H8N2)]n, is a layer coordin­ation polymer with an AuIII—KI metal–metal bond. The Au and K atoms lie on positions of site symmetry 2/m and 222, respectively, and are arranged alternately to form Au—K—Au—K linear chains along the c axis. In addition, the Au atom is coordinated by four Cl atoms, and the K atom coordinated by two N atoms of bi­pyridine ligands.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536804026996/ob6430sup1.cif
Contains datablocks global, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536804026996/ob6430Isup2.hkl
Contains datablock I

CCDC reference: 232059

Key indicators

  • Single-crystal X-ray study
  • T = 293 K
  • Mean [sigma](C-C) = 0.009 Å
  • R factor = 0.040
  • wR factor = 0.099
  • Data-to-parameter ratio = 17.7

checkCIF/PLATON results

No syntax errors found



Alert level C PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ .... ? PLAT342_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ... 9 PLAT480_ALERT_4_C Long H...A H-Bond Reported H2 .. CL1 .. 2.90 Ang. PLAT764_ALERT_4_C Overcomplete CIF Bond List Detected (Rep/Expd) . 1.25 Ratio
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 4 ALERT level C = Check and explain 0 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

Computing details top

Data collection: SMART (Bruker, 2000); cell refinement: SMART; data reduction: SAINT (Bruker, 2000); program(s) used to solve structure: SHELXTL (Bruker, 2000); program(s) used to refine structure: SHELXTL; molecular graphics: SHELXTL; software used to prepare material for publication: SHELXTL.

Poly[[terachlorogold(III)potassium(I)(Au—K)]-µ-4,4'-bipyridine] top
Crystal data top
[KAuCl4(C10H8N2)]F(000) = 992
Mr = 534.05Dx = 2.385 Mg m3
Orthorhombic, IbamMo Kα radiation, λ = 0.71073 Å
Hall symbol: -I 2 2cCell parameters from 732 reflections
a = 12.900 (3) Åθ = 2.7–27.4°
b = 7.8312 (19) ŵ = 10.87 mm1
c = 14.722 (4) ÅT = 293 K
V = 1487.3 (6) Å3Slice, yellow
Z = 40.30 × 0.20 × 0.20 mm
Data collection top
Bruker SMART APEX CCD area-detector
diffractometer
848 independent reflections
Radiation source: sealed tube629 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.040
φ and ω scansθmax = 27.0°, θmin = 2.8°
Absorption correction: multi-scan
(SADABS; Bruker, 2000)
h = 1616
Tmin = 0.09, Tmax = 0.11k = 910
4067 measured reflectionsl = 1811
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) = 0.099H-atom parameters constrained
S = 1.09 w = 1/[σ2(Fo2) + (0.0588P)2]
where P = (Fo2 + 2Fc2)/3
848 reflections(Δ/σ)max < 0.001
48 parametersΔρmax = 1.19 e Å3
1 restraintΔρmin = 1.08 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. The structure was solved by weight atom method and refined on F2 by full matrix least squares methods. All the non-hydrogen atoms were refined anisotropically. 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
K11.00000.00000.25000.0473 (8)
N10.7666 (7)0.00000.25000.051 (3)
C10.55645 (19)0.00000.25000.036 (2)
C20.6098 (6)0.0692 (12)0.3231 (7)0.043 (2)
H20.57460.11680.37200.051*
C30.7190 (6)0.0653 (12)0.3211 (7)0.045 (2)
H30.75710.10850.36950.054*
Au11.00000.00000.00000.0346 (2)
Cl11.15612 (19)0.1367 (4)0.00000.0408 (6)
Cl21.0838 (2)0.2579 (4)0.00000.0452 (7)
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
K10.0266 (16)0.055 (2)0.060 (2)0.0000.0000.000
N10.015 (4)0.049 (6)0.090 (8)0.0000.0000.010 (7)
C10.025 (5)0.032 (5)0.051 (6)0.0000.0000.008 (6)
C20.020 (4)0.059 (5)0.050 (5)0.000 (3)0.005 (3)0.001 (4)
C30.024 (4)0.048 (5)0.062 (6)0.006 (3)0.008 (4)0.007 (4)
Au10.0165 (3)0.0388 (3)0.0486 (4)0.0013 (2)0.0000.000
Cl10.0149 (10)0.0473 (15)0.0601 (18)0.0065 (11)0.0000.000
Cl20.0246 (12)0.0365 (15)0.074 (2)0.0046 (10)0.0000.000
Geometric parameters (Å, º) top
K1—N1i3.010 (9)C2—C31.409 (11)
K1—N13.010 (9)C2—H20.9300
K1—Au1ii3.6805 (10)C3—H30.9300
K1—Au13.6805 (10)Au1—Cl1iv2.281 (2)
N1—C3ii1.317 (10)Au1—Cl12.281 (2)
N1—C31.317 (10)Au1—Cl22.291 (3)
C1—C21.387 (9)Au1—Cl2iv2.291 (3)
C1—C2ii1.387 (9)Au1—K1iv3.6805 (10)
C1—C1iii1.457 (5)
N1—K1—N1i180.0C2—C3—H3120.3
N1i—K1—Au1ii90.0Cl1iv—Au1—Cl1180.00 (14)
N1—K1—Au1ii90.0Cl1iv—Au1—Cl290.16 (11)
N1i—K1—Au190.0Cl1—Au1—Cl289.84 (11)
N1—K1—Au190.0Cl1iv—Au1—Cl2iv89.84 (11)
Au1—K1—Au1ii180.0Cl1—Au1—Cl2iv90.16 (11)
C3ii—N1—C3124.3 (10)Cl2—Au1—Cl2iv180.00 (14)
C3ii—N1—K1117.8 (5)Cl1iv—Au1—K1iv90.0
C3—N1—K1117.8 (5)Cl1—Au1—K1iv90.0
C2—C1—C2ii120.5 (7)Cl2—Au1—K1iv90.0
C2—C1—C1iii119.8 (4)Cl2iv—Au1—K1iv90.0
C2ii—C1—C1iii119.8 (4)Cl1iv—Au1—K190.0
C1—C2—C3118.1 (8)Cl1—Au1—K190.0
C1—C2—H2120.9Cl2—Au1—K190.0
C3—C2—H2120.9Cl2iv—Au1—K190.0
N1—C3—C2119.4 (9)K1—Au1—K1iv180.0
N1—C3—H3120.3
Symmetry codes: (i) x+2, y, z; (ii) x, y, z+1/2; (iii) x+1, y, z; (iv) x+2, y, z.
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
C2—H2···Cl1v0.932.903.528 (10)126
Symmetry code: (v) x1/2, y+1/2, z+1/2.
 

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