Literature DB >> 21578559

catena-Poly[[(6,7,9,10,17,18,20,21-octa-hydro-5,8,11,16,19,22-hexa-oxadibenzo[a,j]cyclo-octa-decene)barium]-di-μ-thio-cyanato-[thio-cyanato-diaurate(I)(Au-Au)]-μ-thio-cyanato].

Tonia L Stroud, Nathan L Coker, Jeanette A Krause.   

Abstract

In the title compound, [Au(2)Ba(NCS)(4)(C(20)H(24)O(6))](n), the dithio--cyanato-aurate(I) anion adopts a dimeric structure with an AuAu distance of 3.1109 (10) Å; both Au(I) atoms are also bonded to two S atoms. The Ba(II) ion adopts an irregular BaN(3)O(6) geometry, arising from the crown ether and three adjacent thio-cyanate N atoms; the extended structure of the complex can be described as a one-dimensional coordination polymer generated by the BaN inter-actions (two on the endo side and one on the exo side of the crown ether) running parallel to the b axis, with an anti-parallel arrangement of ribbons in the unit cell.

Entities:  

Year:  2009        PMID: 21578559      PMCID: PMC2971920          DOI: 10.1107/S1600536809045218

Source DB:  PubMed          Journal:  Acta Crystallogr Sect E Struct Rep Online        ISSN: 1600-5368


Related literature

For further information on gold chemistry, see: Arvapally et al. (2007 ▶); Beavers et al. (2009 ▶); Chen et al. (2005 ▶); Coker (2003 ▶); Coker et al. (2004a ▶,b ▶, 2006 ▶); Mohamed et al. (2003 ▶); Olmstead et al. (2005 ▶); Pathaneni & Desiraju (1993 ▶); Schwerdtferger et al. (1990 ▶). For further information on barium macrocycles, see: Bordunov et al. (1996 ▶); Bradshaw & Izatt (1997 ▶); Felton et al. (2008 ▶); Henke & Atwood (1998 ▶); Masci & Thuery (2006 ▶); Metz et al. (1973 ▶). For a description of the Cambridge Structural Database, see: Allen (2002 ▶).

Experimental

Crystal data

[Au2Ba(NCS)4(C20H24O6)] M = 1123.98 Monoclinic, a = 17.5491 (8) Å b = 12.6183 (4) Å c = 15.6584 (6) Å β = 110.598 (2)° V = 3245.7 (2) Å3 Z = 4 Cu Kα radiation μ = 28.76 mm−1 T = 150 K 0.14 × 0.08 × 0.01 mm

Data collection

Bruker SMART6000 CCD diffractometer Absorption correction: multi-scan (SADABS; Sheldrick, 2003 ▶) T min = 0.118, T max = 0.752 14223 measured reflections 4110 independent reflections 2905 reflections with I > 2σ(I) R int = 0.069 θmax = 56.9°

Refinement

R[F 2 > 2σ(F 2)] = 0.053 wR(F 2) = 0.128 S = 0.98 4110 reflections 358 parameters H-atom parameters constrained Δρmax = 1.66 e Å−3 Δρmin = −0.85 e Å−3 Data collection: SMART (Bruker, 2003 ▶); cell refinement: SAINT (Bruker, 2003 ▶); data reduction: SAINT; program(s) used to solve structure: SHELXTL (Sheldrick, 2008 ▶); program(s) used to refine structure: SHELXTL; molecular graphics: SHELXTL; software used to prepare material for publication: SHELXTL. Crystal structure: contains datablocks I, global. DOI: 10.1107/S1600536809045218/hb5102sup1.cif Structure factors: contains datablocks I. DOI: 10.1107/S1600536809045218/hb5102Isup2.hkl Additional supplementary materials: crystallographic information; 3D view; checkCIF report
[Au2Ba(NCS)4(C20H24O6)]F(000) = 2088
Mr = 1123.98Dx = 2.300 Mg m3
Monoclinic, P21/cCu Kα radiation, λ = 1.54178 Å
Hall symbol: -P 2ybcCell parameters from 4482 reflections
a = 17.5491 (8) Åθ = 4.4–56.9°
b = 12.6183 (4) ŵ = 28.76 mm1
c = 15.6584 (6) ÅT = 150 K
β = 110.598 (2)°Plate, pale pink
V = 3245.7 (2) Å30.14 × 0.08 × 0.01 mm
Z = 4
Bruker SMART6000 CCD diffractometer4110 independent reflections
Radiation source: fine-focus sealed tube2905 reflections with I > 2σ(I)
graphiteRint = 0.069
Detector resolution: 0.92 pixels mm-1θmax = 56.9°, θmin = 2.7°
ω scansh = −16→17
Absorption correction: multi-scan (SADABS; Sheldrick, 2003)k = −11→13
Tmin = 0.118, Tmax = 0.752l = −16→17
14223 measured reflections
Refinement on F2Primary atom site location: structure-invariant direct methods
Least-squares matrix: fullSecondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.053Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.128H-atom parameters constrained
S = 0.98w = 1/[σ2(Fo2) + (0.0766P)2] where P = (Fo2 + 2Fc2)/3
4110 reflections(Δ/σ)max < 0.001
358 parametersΔρmax = 1.66 e Å3
0 restraintsΔρmin = −0.85 e Å3
Experimental. A suitable crystal was mounted in a Cryo-loop with paratone-N and immediately tranferred to the goniostat bathed in a cold stream.The final unit cell is obtained from the refinement of the XYZ weighted centroids of reflections above 20 σ(I). Note that the absorption correction parameters Tmin and Tmax also reflect beam corrections, etc. As a result, the numerical values for Tmin and Tmax may differ from expected values based solely absorption effects and crystal size.
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.The anisotropic displacement parameters for C7 and C20 were constrained to be equivalent to C6 and C5, respectively.
xyzUiso*/Ueq
Au10.34634 (4)0.40337 (5)0.26591 (4)0.0408 (2)
Au20.17476 (4)0.43183 (5)0.27917 (5)0.0453 (3)
S10.4056 (2)0.5186 (3)0.3851 (2)0.0433 (11)
S20.3048 (3)0.2863 (3)0.1460 (3)0.0584 (13)
S30.1241 (3)0.5265 (4)0.1450 (3)0.0635 (14)
S40.2067 (3)0.3454 (3)0.4158 (3)0.0490 (11)
C10.3550 (10)0.6284 (13)0.3434 (10)0.041 (4)
C20.2600 (10)0.1899 (13)0.1840 (11)0.047 (4)
C30.1250 (9)0.6475 (14)0.1921 (11)0.047 (4)
C40.2867 (11)0.2679 (14)0.4179 (11)0.048 (5)
N10.3197 (8)0.7081 (11)0.3177 (9)0.051 (4)
N20.2288 (8)0.1179 (10)0.2044 (9)0.047 (4)
N30.1230 (9)0.7317 (11)0.2215 (10)0.060 (4)
N40.3382 (9)0.2131 (12)0.4199 (10)0.058 (4)
Ba0.23237 (6)0.89893 (6)0.25677 (6)0.0322 (3)
O50.1978 (8)0.9218 (9)0.0567 (7)0.066 (4)
O70.3582 (6)0.9286 (7)0.1843 (6)0.036 (2)
O90.3953 (7)0.9610 (9)0.3779 (7)0.064 (3)
O150.2715 (8)0.9925 (10)0.4392 (8)0.065 (3)
O170.1095 (6)0.9937 (7)0.3111 (6)0.039 (3)
O190.0748 (7)0.9545 (9)0.1208 (7)0.064 (3)
C50.1207 (10)0.8637 (12)0.0123 (9)0.037 (3)
C60.2689 (9)0.8954 (11)0.0301 (9)0.036 (3)
H6A0.28000.81840.03710.043*
H6B0.25730.9146−0.03460.043*
C70.3402 (9)0.9553 (11)0.0894 (8)0.036 (3)
H7B0.38800.93890.07210.043*
H7A0.32921.03220.08060.043*
C80.4339 (9)0.9751 (12)0.2431 (9)0.041 (4)
H8A0.42741.05270.24640.049*
H8B0.47730.96140.21770.049*
C90.4576 (9)0.9277 (12)0.3375 (9)0.040 (4)
H9A0.45940.84950.33390.048*
H9B0.51220.95320.37610.048*
C100.4040 (10)0.9142 (11)0.4657 (9)0.038 (4)
C110.4680 (10)0.8473 (11)0.5139 (10)0.040 (4)
H110.51010.83160.49080.048*
C120.4694 (11)0.8042 (12)0.5956 (10)0.047 (4)
H120.51290.75890.62910.057*
C130.4087 (11)0.8263 (12)0.6286 (11)0.044 (4)
H130.41120.79780.68570.053*
C140.3448 (10)0.8886 (11)0.5806 (10)0.040 (4)
H140.30290.90130.60460.049*
C150.3385 (11)0.9342 (11)0.4980 (10)0.037 (4)
C160.2001 (10)1.0007 (13)0.4669 (11)0.050 (5)
H16B0.21451.04190.52420.061*
H16A0.18330.92890.47870.061*
C170.1299 (11)1.0539 (13)0.3941 (12)0.056 (5)
H17A0.08221.05780.41390.067*
H17B0.14531.12700.38380.067*
C180.0412 (10)1.0419 (12)0.2411 (10)0.048 (5)
H18B0.05781.10980.22120.058*
H18A−0.00321.05620.26470.058*
C190.0129 (9)0.9649 (13)0.1622 (10)0.042 (4)
H19B0.00230.89480.18430.050*
H19A−0.03840.99060.11620.050*
C200.0582 (10)0.8804 (11)0.0468 (9)0.037 (3)
C21−0.0125 (10)0.8211 (12)0.0105 (10)0.045 (4)
H21−0.05650.83280.03130.054*
C22−0.0195 (10)0.7466 (12)−0.0542 (11)0.054 (5)
H22−0.06710.7039−0.07580.064*
C230.0427 (12)0.7322 (13)−0.0892 (11)0.051 (5)
H230.03590.6824−0.13680.061*
C240.1134 (10)0.7894 (12)−0.0554 (10)0.040 (4)
H240.15650.7784−0.07790.049*
U11U22U33U12U13U23
Au10.0510 (5)0.0316 (4)0.0483 (4)0.0031 (3)0.0280 (4)0.0028 (3)
Au20.0490 (5)0.0377 (4)0.0535 (4)0.0027 (4)0.0235 (4)0.0008 (3)
S10.044 (3)0.043 (2)0.042 (2)0.010 (2)0.015 (2)−0.0041 (19)
S20.099 (4)0.039 (2)0.053 (2)−0.007 (2)0.046 (3)−0.005 (2)
S30.079 (4)0.069 (3)0.049 (2)0.022 (3)0.030 (3)0.008 (2)
S40.063 (3)0.039 (2)0.054 (2)0.009 (2)0.033 (2)0.009 (2)
C10.037 (11)0.042 (9)0.048 (9)−0.002 (9)0.021 (9)−0.004 (8)
C20.045 (12)0.044 (10)0.056 (10)0.011 (9)0.022 (10)−0.010 (9)
C30.031 (11)0.056 (11)0.056 (10)−0.002 (9)0.018 (9)0.034 (10)
C40.059 (14)0.051 (11)0.048 (10)−0.022 (10)0.035 (11)−0.014 (9)
N10.040 (10)0.050 (9)0.059 (8)0.000 (8)0.012 (8)−0.014 (7)
N20.060 (11)0.028 (7)0.053 (8)−0.008 (7)0.018 (8)−0.006 (6)
N30.065 (11)0.035 (8)0.079 (10)−0.007 (8)0.024 (9)0.017 (8)
N40.064 (12)0.059 (10)0.064 (9)0.006 (9)0.037 (9)0.008 (8)
Ba0.0354 (6)0.0300 (5)0.0345 (5)0.0007 (4)0.0166 (4)0.0001 (4)
O50.074 (10)0.077 (9)0.045 (6)−0.001 (7)0.021 (7)−0.001 (6)
O70.030 (6)0.039 (6)0.041 (5)−0.004 (5)0.013 (5)−0.003 (5)
O90.073 (9)0.063 (8)0.064 (7)−0.001 (7)0.033 (7)0.007 (6)
O150.057 (9)0.081 (9)0.065 (7)0.004 (7)0.031 (7)−0.004 (7)
O170.050 (7)0.032 (5)0.046 (6)0.006 (5)0.029 (6)−0.011 (5)
O190.069 (9)0.073 (8)0.060 (7)0.000 (7)0.035 (7)−0.007 (7)
C50.039 (9)0.042 (6)0.028 (6)0.009 (6)0.010 (5)0.011 (5)
C60.040 (8)0.042 (6)0.036 (6)0.007 (5)0.028 (5)0.003 (5)
C70.040 (8)0.042 (6)0.036 (6)0.007 (5)0.028 (5)0.003 (5)
C80.047 (12)0.041 (9)0.046 (9)−0.018 (8)0.030 (9)−0.005 (8)
C90.023 (10)0.053 (10)0.047 (9)−0.018 (8)0.018 (8)−0.012 (8)
C100.041 (11)0.040 (9)0.032 (8)−0.009 (8)0.011 (8)−0.006 (8)
C110.039 (11)0.028 (8)0.048 (9)−0.007 (8)0.008 (9)−0.008 (8)
C120.049 (12)0.036 (9)0.043 (9)0.008 (8)0.000 (9)0.011 (8)
C130.044 (12)0.042 (10)0.043 (9)−0.011 (9)0.010 (10)0.004 (8)
C140.044 (12)0.038 (9)0.044 (9)−0.018 (9)0.020 (9)−0.014 (8)
C150.048 (12)0.027 (8)0.043 (9)−0.010 (8)0.025 (9)−0.013 (7)
C160.063 (14)0.047 (10)0.058 (11)−0.012 (10)0.043 (11)−0.033 (9)
C170.051 (13)0.043 (10)0.094 (14)−0.001 (9)0.050 (12)−0.020 (10)
C180.055 (12)0.033 (9)0.053 (10)0.029 (8)0.014 (9)0.010 (8)
C190.036 (11)0.058 (10)0.043 (9)0.008 (8)0.028 (9)0.011 (8)
C200.039 (9)0.042 (6)0.028 (6)0.009 (6)0.010 (5)0.011 (5)
C210.030 (11)0.038 (9)0.052 (9)−0.003 (8)−0.003 (9)0.000 (8)
C220.023 (11)0.036 (10)0.075 (12)−0.003 (8)−0.016 (10)0.000 (9)
C230.050 (13)0.046 (10)0.048 (10)0.026 (10)0.006 (10)0.013 (9)
C240.028 (11)0.045 (9)0.046 (9)0.009 (8)0.010 (9)−0.001 (8)
Au1—S22.297 (4)C6—H6A0.9900
Au1—S12.305 (4)C6—H6B0.9900
Au1—Au23.1109 (10)C7—H7B0.9900
Au2—S42.288 (4)C7—H7A0.9900
Au2—S32.305 (4)C8—C91.510 (18)
S1—C11.651 (17)C8—H8A0.9900
S2—C21.668 (19)C8—H8B0.9900
S3—C31.69 (2)C9—H9A0.9900
S4—C41.70 (2)C9—H9B0.9900
C1—N11.176 (18)C10—C111.39 (2)
C2—N21.162 (19)C10—C151.43 (2)
C3—N31.16 (2)C11—C121.38 (2)
C4—N41.131 (19)C11—H110.9500
N2—Bai2.877 (13)C12—C131.37 (2)
Ba—N12.834 (14)C12—H120.9500
Ba—N2ii2.877 (13)C13—C141.36 (2)
Ba—N32.774 (14)C13—H130.9500
Ba—O72.840 (9)C14—C151.38 (2)
Ba—O172.845 (9)C14—H140.9500
Ba—O192.921 (12)C16—C171.51 (2)
Ba—O92.927 (12)C16—H16B0.9900
Ba—O152.940 (11)C16—H16A0.9900
Ba—O52.988 (10)C17—H17A0.9900
O5—C51.479 (18)C17—H17B0.9900
O5—C61.486 (17)C18—C191.51 (2)
O7—C71.446 (15)C18—H18B0.9900
O7—C81.447 (16)C18—H18A0.9900
O9—C101.454 (17)C19—H19B0.9900
O9—C91.504 (18)C19—H19A0.9900
O15—C151.418 (18)C20—C211.39 (2)
O15—C161.467 (18)C21—C221.35 (2)
O17—C171.438 (17)C21—H210.9500
O17—C181.443 (16)C22—C231.39 (2)
O19—C201.436 (18)C22—H220.9500
O19—C191.453 (17)C23—C241.37 (2)
C5—C241.388 (19)C23—H230.9500
C5—C201.40 (2)C24—H240.9500
C6—C71.477 (19)
S2—Au1—S1172.10 (16)O5—C6—H6B110.0
S2—Au1—Au295.32 (13)H6A—C6—H6B108.4
S1—Au1—Au292.58 (10)O7—C7—C6111.0 (11)
S4—Au2—S3171.03 (16)O7—C7—H7B109.4
S4—Au2—Au194.73 (11)C6—C7—H7B109.4
S3—Au2—Au194.10 (12)O7—C7—H7A109.4
C1—S1—Au1100.5 (5)C6—C7—H7A109.4
C2—S2—Au1103.4 (5)H7B—C7—H7A108.0
C3—S3—Au297.5 (5)O7—C8—C9109.7 (11)
C4—S4—Au2102.8 (6)O7—C8—H8A109.7
N1—C1—S1177.0 (14)C9—C8—H8A109.7
N2—C2—S2174.5 (14)O7—C8—H8B109.7
N3—C3—S3177.4 (16)C9—C8—H8B109.7
N4—C4—S4177.4 (16)H8A—C8—H8B108.2
C1—N1—Ba179.0 (13)O9—C9—C8108.1 (12)
C2—N2—Bai149.7 (12)O9—C9—H9A110.1
C3—N3—Ba131.2 (13)C8—C9—H9A110.1
N3—Ba—N171.0 (4)O9—C9—H9B110.1
N3—Ba—O7127.0 (4)C8—C9—H9B110.1
N1—Ba—O780.9 (3)H9A—C9—H9B108.4
N3—Ba—O1780.5 (4)C11—C10—C15120.6 (14)
N1—Ba—O17129.3 (3)C11—C10—O9123.7 (14)
O7—Ba—O17147.3 (3)C15—C10—O9115.6 (13)
N3—Ba—N2ii136.9 (4)C12—C11—C10119.2 (15)
N1—Ba—N2ii150.2 (4)C12—C11—H11120.4
O7—Ba—N2ii72.6 (3)C10—C11—H11120.4
O17—Ba—N2ii74.8 (3)C13—C12—C11120.5 (15)
N3—Ba—O1968.0 (4)C13—C12—H12119.8
N1—Ba—O19135.3 (3)C11—C12—H12119.8
O7—Ba—O19110.3 (3)C14—C13—C12120.7 (15)
O17—Ba—O1959.6 (3)C14—C13—H13119.6
N2ii—Ba—O1969.0 (4)C12—C13—H13119.6
N3—Ba—O9141.5 (4)C13—C14—C15122.4 (16)
N1—Ba—O973.8 (3)C13—C14—H14118.8
O7—Ba—O960.3 (3)C15—C14—H14118.8
O17—Ba—O9111.3 (3)C14—C15—O15126.7 (15)
N2ii—Ba—O981.1 (3)C14—C15—C10116.6 (15)
O19—Ba—O9150.1 (3)O15—C15—C10116.6 (13)
N3—Ba—O15114.1 (4)O15—C16—C17111.3 (13)
N1—Ba—O1595.8 (4)O15—C16—H16B109.4
O7—Ba—O15112.7 (3)C17—C16—H16B109.4
O17—Ba—O1558.9 (3)O15—C16—H16A109.4
N2ii—Ba—O1582.3 (3)C17—C16—H16A109.4
O19—Ba—O15116.7 (3)H16B—C16—H16A108.0
O9—Ba—O1554.7 (3)O17—C17—C16108.9 (12)
N3—Ba—O589.6 (4)O17—C17—H17A109.9
N1—Ba—O5108.7 (4)C16—C17—H17A109.9
O7—Ba—O557.9 (3)O17—C17—H17B109.9
O17—Ba—O5112.1 (3)C16—C17—H17B109.9
N2ii—Ba—O568.4 (3)H17A—C17—H17B108.3
O19—Ba—O554.6 (3)O17—C18—C19107.2 (11)
O9—Ba—O5116.4 (3)O17—C18—H18B110.3
O15—Ba—O5150.7 (3)C19—C18—H18B110.3
C5—O5—C6118.4 (11)O17—C18—H18A110.3
C5—O5—Ba105.1 (8)C19—C18—H18A110.3
C6—O5—Ba113.0 (8)H18B—C18—H18A108.5
C7—O7—C8112.3 (10)O19—C19—C18109.9 (13)
C7—O7—Ba121.4 (8)O19—C19—H19B109.7
C8—O7—Ba117.9 (7)C18—C19—H19B109.7
C10—O9—C9115.7 (12)O19—C19—H19A109.7
C10—O9—Ba105.0 (8)C18—C19—H19A109.7
C9—O9—Ba110.0 (8)H19B—C19—H19A108.2
C15—O15—C16116.4 (12)C21—C20—C5118.0 (14)
C15—O15—Ba106.3 (8)C21—C20—O19125.5 (14)
C16—O15—Ba112.6 (8)C5—C20—O19116.4 (14)
C17—O17—C18109.8 (11)C22—C21—C20120.9 (16)
C17—O17—Ba121.3 (9)C22—C21—H21119.6
C18—O17—Ba117.7 (8)C20—C21—H21119.6
C20—O19—C19116.6 (12)C21—C22—C23120.4 (16)
C20—O19—Ba107.6 (8)C21—C22—H22119.8
C19—O19—Ba111.1 (8)C23—C22—H22119.8
C24—C5—C20121.6 (15)C24—C23—C22120.5 (16)
C24—C5—O5121.1 (14)C24—C23—H23119.7
C20—C5—O5117.1 (13)C22—C23—H23119.7
C7—C6—O5108.6 (11)C23—C24—C5118.5 (16)
C7—C6—H6A110.0C23—C24—H24120.7
O5—C6—H6A110.0C5—C24—H24120.7
C7—C6—H6B110.0
S2—Au1—Au2—S4110.83 (15)C10—C11—C12—C130(2)
S1—Au1—Au2—S4−69.26 (14)C11—C12—C13—C142(2)
S2—Au1—Au2—S3−70.74 (16)C12—C13—C14—C15−1(2)
S1—Au1—Au2—S3109.17 (16)C13—C14—C15—O15174.1 (13)
S2—Au1—S1—C1118.4 (11)C13—C14—C15—C10−1(2)
Au2—Au1—S1—C1−60.9 (6)C16—O15—C15—C14−3(2)
S1—Au1—S2—C2125.3 (11)C16—O15—C15—C10172.1 (12)
Au2—Au1—S2—C2−55.4 (6)C11—C10—C15—C143(2)
S4—Au2—S3—C364.5 (13)O9—C10—C15—C14178.7 (12)
Au1—Au2—S3—C3−105.4 (6)C11—C10—C15—O15−172.5 (12)
S3—Au2—S4—C4167.1 (11)O9—C10—C15—O153.0 (18)
Au1—Au2—S4—C4−23.0 (6)C15—O15—C16—C17−173.8 (12)
Au1—S1—C1—N1154 (30)C18—O17—C17—C16178.7 (13)
Au1—S2—C2—N2−168 (17)O15—C16—C17—O1758.9 (16)
Au2—S3—C3—N3−148 (35)C17—O17—C18—C19−169.6 (12)
Au2—S4—C4—N4−125 (37)C20—O19—C19—C18177.5 (11)
S1—C1—N1—Ba−68 (93)O17—C18—C19—O19−67.0 (15)
S2—C2—N2—Bai61 (18)C24—C5—C20—C21−1(2)
S3—C3—N3—Ba−115 (35)O5—C5—C20—C21−175.5 (12)
C6—O5—C5—C24−2.7 (18)C24—C5—C20—O19176.2 (12)
C6—O5—C5—C20172.0 (12)O5—C5—C20—O191.4 (18)
C5—O5—C6—C7−174.4 (11)C19—O19—C20—C212(2)
C8—O7—C7—C6172.3 (11)C19—O19—C20—C5−174.6 (12)
O5—C6—C7—O759.6 (14)C5—C20—C21—C222(2)
C7—O7—C8—C9−169.0 (11)O19—C20—C21—C22−174.3 (13)
C10—O9—C9—C8174.3 (11)C20—C21—C22—C23−4(2)
O7—C8—C9—O9−66.0 (14)C21—C22—C23—C243(2)
C9—O9—C10—C113.7 (19)C22—C23—C24—C5−2(2)
C9—O9—C10—C15−171.6 (12)C20—C5—C24—C231(2)
C15—C10—C11—C12−3(2)O5—C5—C24—C23175.1 (12)
O9—C10—C11—C12−178.0 (13)
Table 1

Selected bond lengths (Å)

Au1—S22.297 (4)
Au1—S12.305 (4)
Au2—S42.288 (4)
Au2—S32.305 (4)
Ba—N12.834 (14)
Ba—N2i 2.877 (13)
Ba—N32.774 (14)
Ba—O72.840 (9)
Ba—O172.845 (9)
Ba—O192.921 (12)
Ba—O92.927 (12)
Ba—O152.940 (11)
Ba—O52.988 (10)

Symmetry code: (i) .

  8 in total

1.  The Cambridge Structural Database: a quarter of a million crystal structures and rising.

Authors:  Frank H Allen
Journal:  Acta Crystallogr B       Date:  2002-05-29

2.  Synthesis and Properties of 5-Chloro-8-hydroxyquinoline-Substituted Azacrown Ethers: A New Family of Highly Metal Ion-Selective Lariat Ethers.

Authors:  Andrei V. Bordunov; Jerald S. Bradshaw; Xian Xin Zhang; N. Kent Dalley; Xiaolan Kou; Reed M. Izatt
Journal:  Inorg Chem       Date:  1996-12-04       Impact factor: 5.165

3.  A short history of SHELX.

Authors:  George M Sheldrick
Journal:  Acta Crystallogr A       Date:  2007-12-21       Impact factor: 2.290

4.  A wavelength and lifetime responsive cryptate-containing fluorescent probe for zinc ions in water.

Authors:  Cara E Felton; Lindsay P Harding; Jennifer E Jones; Benson M Kariuki; Simon J A Pope; Craig R Rice
Journal:  Chem Commun (Camb)       Date:  2008-10-20       Impact factor: 6.222

5.  Novel metallamacrocyclic gold(I) thiolate cluster complex: structure and luminescence of [Au9(mu-dppm)4(mu-p-tc)6](PF6)3.

Authors:  Jinhua Chen; Ahmed A Mohamed; Hanan E Abdou; Jeanette A Krause Bauer; John P Fackler; Alice E Bruce; Mitchell R M Bruce
Journal:  Chem Commun (Camb)       Date:  2005-01-26       Impact factor: 6.222

6.  Formation of a cationic gold(I) complex and disulfide by oxidation of the antiarthritic gold drug auranofin.

Authors:  Ahmed A Mohamed; Jinhua Chen; Alice E Bruce; Mitchell R M Bruce; Jeanette A Krause Bauer; David T Hill
Journal:  Inorg Chem       Date:  2003-04-07       Impact factor: 5.165

7.  Monomers, dimers, and trimers of [Au(CN)(2)] in a Ba(diaza-18-crown-6) coordination polymer.

Authors:  Christine M Beavers; Latisha Paw U; Marilyn M Olmstead
Journal:  Acta Crystallogr Sect E Struct Rep Online       Date:  2009-02-21

8.  Emission energy correlates with inverse of gold-gold distance for various [Au(SCN)2]- salts.

Authors:  Nathan L Coker; Jeanette A Krause Bauer; R C Elder
Journal:  J Am Chem Soc       Date:  2004-01-14       Impact factor: 15.419

  8 in total
  1 in total

1.  {Ba[Au(SCN)(2)](2)}(n): a three-dimensional net comprised of monomeric and trimeric gold(I) units.

Authors:  A Darren Back; Tonia L Stroud; Cynthia A Schroll; Nathan L Coker; Jeanette A Krause
Journal:  Acta Crystallogr Sect E Struct Rep Online       Date:  2010-06-09
  1 in total

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