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The title mononuclear complex, [Ag(C15H12N2S)2]CF3SO3, reveals the mol­ecular symmetry C2 with the Ag atom located on a crystallographic twofold axis. The AgI centre is coordinated by two pyridine N-donors of two 8-(4-pyridylsulfanylmeth­yl)quinoline ligands in an almost linear geometry. The N—Ag—N angle is 173.06 (18)° and the Ag—N distance is 2.129 (3) Å.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536806049786/kp2068sup1.cif
Contains datablocks global, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536806049786/kp2068Isup2.hkl
Contains datablock I

CCDC reference: 630045

Key indicators

  • Single-crystal X-ray study
  • T = 293 K
  • Mean [sigma](C-C) = 0.007 Å
  • Disorder in solvent or counterion
  • R factor = 0.048
  • wR factor = 0.100
  • Data-to-parameter ratio = 14.3

checkCIF/PLATON results

No syntax errors found



Alert level C PLAT062_ALERT_4_C Rescale T(min) & T(max) by ..................... 0.83 PLAT244_ALERT_4_C Low 'Solvent' Ueq as Compared to Neighbors for S2 PLAT244_ALERT_4_C Low 'Solvent' Ueq as Compared to Neighbors for C16 PLAT302_ALERT_4_C Anion/Solvent Disorder ......................... 33.00 Perc. PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 1 N1 -AG1 -N1 -C1 -148.40 0.30 2.654 1.555 1.555 1.555 PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 2 N1 -AG1 -N1 -C5 33.30 0.30 2.654 1.555 1.555 1.555 PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 93 C16 -C16 -F2 -O2 40.00 18.00 2.656 1.555 1.555 2.656 PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 98 C16 -C16 -F2 -S2 42.00 18.00 2.656 1.555 1.555 2.656 PLAT764_ALERT_4_C Overcomplete CIF Bond List Detected (Rep/Expd) . 1.41 Ratio PLAT779_ALERT_2_C Suspect or Irrelevant (Bond) Angle in CIF ...... 27.20 Deg. C16 -S2 -C16 2.656 1.555 1.555 PLAT779_ALERT_2_C Suspect or Irrelevant (Bond) Angle in CIF ...... 35.00 Deg. O2 -S2 -F2 1.555 1.555 2.656 PLAT779_ALERT_2_C Suspect or Irrelevant (Bond) Angle in CIF ...... 42.30 Deg. C16 -S2 -F2 2.656 1.555 2.656 PLAT779_ALERT_2_C Suspect or Irrelevant (Bond) Angle in CIF ...... 33.71 Deg. S2 -O1 -S2 2.656 1.555 1.555 PLAT779_ALERT_2_C Suspect or Irrelevant (Bond) Angle in CIF ...... 44.00 Deg. F2 -O2 -C16 2.656 1.555 2.656 PLAT779_ALERT_2_C Suspect or Irrelevant (Bond) Angle in CIF ...... 27.03 Deg. S2 -C16 -S2 2.656 1.555 1.555 PLAT779_ALERT_2_C Suspect or Irrelevant (Bond) Angle in CIF ...... 36.70 Deg. F2 -C16 -O2 1.555 1.555 2.656 PLAT779_ALERT_2_C Suspect or Irrelevant (Bond) Angle in CIF ...... 35.70 Deg. C16 -F1 -C16 2.656 1.555 1.555 PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd. # 1 C30 H24 Ag N4 S2
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 0.833 Tmax scaled 0.833 Tmin scaled 0.742 PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature 293 K PLAT200_ALERT_1_G Check the Reported _diffrn_ambient_temperature . 293 K
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 18 ALERT level C = Check and explain 3 ALERT level G = General alerts; check 2 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 8 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 10 ALERT type 4 Improvement, methodology, query or suggestion 0 ALERT type 5 Informative message, check

Computing details top

Data collection: SMART (Bruker, 1998); cell refinement: SMART; data reduction: SAINT (Bruker, 1999); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: SHELXTL (Bruker, 1998); software used to prepare material for publication: SHELXL97.

Bis[8-(4-pyridylsulfanylmethyl-κN)quinoline]silver(I) trifluoromethanesulfonate top
Crystal data top
[Ag(C15H12N2S)2]CF3SO3F(000) = 1536
Mr = 761.59Dx = 1.637 Mg m3
Monoclinic, C2/cMo Kα radiation, λ = 0.71073 Å
Hall symbol: -C 2ycCell parameters from 907 reflections
a = 24.851 (8) Åθ = 3.0–25.5°
b = 9.276 (3) ŵ = 0.91 mm1
c = 14.091 (4) ÅT = 293 K
β = 107.991 (6)°Block, colourless
V = 3089.4 (17) Å30.30 × 0.22 × 0.20 mm
Z = 4
Data collection top
Bruker SMART 1000 CCD area-detector
diffractometer
3182 independent reflections
Radiation source: fine-focus sealed tube1786 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.048
φ and ω scansθmax = 26.5°, θmin = 2.4°
Absorption correction: multi-scan
(SADABS; Sheldrick, 1998)
h = 3026
Tmin = 0.891, Tmax = 1.000k = 117
8559 measured reflectionsl = 1617
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)] = 0.048Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.100H-atom parameters constrained
S = 1.00 w = 1/[σ2(Fo2) + (0.035P)2 + 2.1514P]
where P = (Fo2 + 2Fc2)/3
3182 reflections(Δ/σ)max < 0.001
222 parametersΔρmax = 0.56 e Å3
0 restraintsΔρmin = 0.39 e Å3
Special details top

Experimental. IR (KBr pellet, cm-1): 3065 w, 2932 w, 1593 versus, 1487 m, 1426 m, 1278 versus, 1259 versus, 1224 versus, 1151 s, 1113 m, 1023 versus, 840 m, 796 m, 636 s.

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*/UeqOcc. (<1)
Ag10.50000.00800 (5)0.25000.0726 (2)
S10.35979 (5)0.04049 (12)0.08243 (8)0.0663 (3)
N10.45310 (13)0.0219 (4)0.1468 (2)0.0551 (8)
N20.20630 (17)0.0252 (4)0.0195 (3)0.0715 (10)
C10.41510 (17)0.0795 (5)0.1457 (3)0.0585 (11)
H1A0.40860.15290.19290.070*
C20.38546 (16)0.0807 (4)0.0790 (3)0.0571 (11)
H2A0.35950.15390.08110.068*
C30.39405 (15)0.0275 (4)0.0080 (3)0.0487 (9)
C40.43270 (15)0.1341 (4)0.0098 (3)0.0512 (10)
H4A0.43960.20950.03590.061*
C50.46052 (16)0.1275 (4)0.0793 (3)0.0556 (10)
H5A0.48610.20060.07980.067*
C60.31761 (17)0.1229 (5)0.0629 (3)0.0733 (13)
H6A0.34180.20650.06850.088*
H6B0.29030.12230.00330.088*
C70.28718 (17)0.1306 (5)0.1408 (3)0.0613 (11)
C80.31022 (19)0.1859 (5)0.2314 (4)0.0742 (13)
H8A0.34730.21900.24800.089*
C90.2823 (2)0.1975 (5)0.3027 (3)0.0819 (14)
H9A0.30060.23710.36490.098*
C100.2278 (2)0.1500 (5)0.2803 (4)0.0801 (14)
H10A0.20880.15580.32750.096*
C110.20039 (17)0.0916 (4)0.1840 (3)0.0565 (10)
C120.1444 (2)0.0473 (5)0.1533 (5)0.0810 (14)
H12A0.12310.05220.19720.097*
C130.1210 (2)0.0022 (5)0.0612 (5)0.0878 (15)
H13A0.08310.02870.03960.105*
C140.1529 (2)0.0138 (5)0.0011 (4)0.0816 (14)
H14A0.13560.05270.06400.098*
C150.23141 (17)0.0811 (4)0.1161 (3)0.0558 (10)
S20.49905 (12)0.3876 (2)0.77845 (14)0.0505 (6)0.50
O10.44902 (13)0.3240 (3)0.7131 (2)0.0830 (9)
O20.4932 (2)0.4210 (9)0.8720 (4)0.0738 (18)0.50
C160.4995 (9)0.5602 (10)0.7206 (9)0.074 (4)0.50
F10.54457 (13)0.6370 (3)0.7797 (3)0.1253 (12)
F20.5039 (3)0.5437 (8)0.6298 (6)0.111 (2)0.50
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Ag10.0963 (4)0.0723 (4)0.0678 (3)0.0000.0527 (3)0.000
S10.0843 (8)0.0629 (8)0.0674 (7)0.0147 (6)0.0461 (6)0.0205 (5)
N10.066 (2)0.055 (2)0.0513 (19)0.0117 (18)0.0279 (17)0.0031 (17)
N20.087 (3)0.066 (3)0.068 (2)0.011 (2)0.032 (2)0.004 (2)
C10.070 (3)0.054 (3)0.059 (3)0.000 (2)0.030 (2)0.014 (2)
C20.064 (3)0.051 (3)0.063 (3)0.006 (2)0.030 (2)0.015 (2)
C30.050 (2)0.050 (3)0.048 (2)0.008 (2)0.0182 (18)0.0045 (19)
C40.063 (3)0.045 (2)0.048 (2)0.003 (2)0.021 (2)0.0067 (19)
C50.063 (3)0.050 (3)0.058 (2)0.003 (2)0.025 (2)0.002 (2)
C60.070 (3)0.070 (3)0.095 (3)0.013 (2)0.047 (3)0.024 (3)
C70.058 (3)0.054 (3)0.077 (3)0.011 (2)0.028 (2)0.016 (2)
C80.064 (3)0.074 (3)0.082 (3)0.006 (3)0.019 (3)0.002 (3)
C90.083 (4)0.085 (4)0.071 (3)0.006 (3)0.013 (3)0.018 (3)
C100.096 (4)0.075 (3)0.082 (3)0.013 (3)0.047 (3)0.004 (3)
C110.055 (3)0.052 (3)0.070 (3)0.004 (2)0.029 (2)0.001 (2)
C120.069 (3)0.069 (3)0.117 (4)0.003 (3)0.047 (3)0.002 (3)
C130.066 (3)0.077 (4)0.119 (5)0.005 (3)0.026 (3)0.008 (4)
C140.075 (3)0.075 (4)0.083 (3)0.009 (3)0.006 (3)0.012 (3)
C150.054 (3)0.046 (2)0.073 (3)0.009 (2)0.027 (2)0.011 (2)
S20.0631 (13)0.0475 (11)0.0454 (16)0.0017 (12)0.0232 (15)0.0016 (9)
O10.101 (2)0.075 (2)0.076 (2)0.0427 (19)0.0321 (18)0.0094 (17)
O20.066 (4)0.114 (6)0.046 (4)0.013 (4)0.023 (3)0.004 (4)
C160.057 (5)0.066 (6)0.100 (15)0.010 (7)0.024 (12)0.016 (6)
F10.103 (2)0.075 (2)0.187 (3)0.0400 (19)0.028 (2)0.011 (2)
F20.137 (6)0.115 (6)0.091 (5)0.010 (5)0.050 (4)0.048 (5)
Geometric parameters (Å, º) top
Ag1—N1i2.129 (3)C11—C121.386 (6)
Ag1—N12.129 (3)C11—C151.405 (5)
S1—C31.742 (4)C12—C131.329 (7)
S1—C61.814 (4)C12—H12A0.9300
N1—C11.336 (5)C13—C141.357 (7)
N1—C51.338 (5)C13—H13A0.9300
N2—C141.317 (6)C14—H14A0.9300
N2—C151.410 (5)S2—S2ii0.818 (3)
C1—C21.361 (5)S2—O1ii1.390 (4)
C1—H1A0.9300S2—O21.405 (6)
C2—C31.387 (5)S2—O11.427 (4)
C2—H2A0.9300S2—C16ii1.602 (9)
C3—C41.385 (5)S2—C161.799 (9)
C4—C51.364 (5)S2—F2ii1.958 (6)
C4—H4A0.9300O1—S2ii1.390 (4)
C5—H5A0.9300O2—F2ii1.141 (8)
C6—C71.514 (5)O2—C16ii1.883 (12)
C6—H6A0.9700C16—C16ii0.82 (2)
C6—H6B0.9700C16—F1ii1.306 (16)
C7—C81.330 (5)C16—F21.326 (11)
C7—C151.398 (5)C16—F11.371 (18)
C8—C91.390 (6)C16—S2ii1.602 (9)
C8—H8A0.9300C16—O2ii1.883 (12)
C9—C101.365 (6)F1—C16ii1.306 (16)
C9—H9A0.9300F2—O2ii1.141 (8)
C10—C111.425 (6)F2—S2ii1.958 (6)
C10—H10A0.9300
N1i—Ag1—N1173.06 (18)C7—C15—N2118.0 (4)
C3—S1—C6102.79 (18)C11—C15—N2120.7 (4)
C1—N1—C5116.7 (3)S2ii—S2—O1ii75.6 (3)
C1—N1—Ag1120.2 (3)S2ii—S2—O2167.0 (4)
C5—N1—Ag1123.1 (3)O1ii—S2—O2112.0 (3)
C14—N2—C15115.4 (4)S2ii—S2—O170.7 (3)
N1—C1—C2123.3 (4)O1ii—S2—O1118.7 (3)
N1—C1—H1A118.3O2—S2—O1112.0 (3)
C2—C1—H1A118.3S2ii—S2—C16ii90.0 (4)
C1—C2—C3119.8 (4)O1ii—S2—C16ii113.9 (8)
C1—C2—H2A120.1O2—S2—C16ii77.3 (5)
C3—C2—H2A120.1O1—S2—C16ii115.6 (8)
C4—C3—C2117.2 (3)S2ii—S2—C1662.9 (3)
C4—C3—S1117.6 (3)O1ii—S2—C16106.3 (6)
C2—C3—S1125.3 (3)O2—S2—C16104.2 (5)
C5—C4—C3119.3 (4)O1—S2—C16101.6 (6)
C5—C4—H4A120.3C16ii—S2—C1627.2 (7)
C3—C4—H4A120.3S2ii—S2—F2ii132.3 (3)
N1—C5—C4123.7 (4)O1ii—S2—F2ii118.7 (3)
N1—C5—H5A118.2O2—S2—F2ii35.0 (3)
C4—C5—H5A118.2O1—S2—F2ii122.0 (3)
C7—C6—S1108.9 (3)C16ii—S2—F2ii42.3 (4)
C7—C6—H6A109.9C16—S2—F2ii69.4 (5)
S1—C6—H6A109.9S2ii—O1—S233.71 (15)
C7—C6—H6B109.9F2ii—O2—S2100.0 (6)
S1—C6—H6B109.9F2ii—O2—C16ii44.0 (5)
H6A—C6—H6B108.3S2—O2—C16ii56.1 (4)
C8—C7—C15117.7 (4)C16ii—C16—F1ii76 (2)
C8—C7—C6123.4 (4)C16ii—C16—F2171 (3)
C15—C7—C6118.9 (4)F1ii—C16—F2112.3 (12)
C7—C8—C9124.1 (4)C16ii—C16—F168 (2)
C7—C8—H8A118.0F1ii—C16—F1104.2 (7)
C9—C8—H8A118.0F2—C16—F1110.6 (12)
C10—C9—C8119.3 (5)C16ii—C16—S2ii89.9 (4)
C10—C9—H9A120.4F1ii—C16—S2ii124.2 (13)
C8—C9—H9A120.4F2—C16—S2ii83.4 (6)
C9—C10—C11119.4 (4)F1—C16—S2ii120.2 (12)
C9—C10—H10A120.3C16ii—C16—S262.9 (3)
C11—C10—H10A120.3F1ii—C16—S2111.4 (9)
C12—C11—C15118.5 (4)F2—C16—S2110.4 (7)
C12—C11—C10123.3 (4)F1—C16—S2107.8 (9)
C15—C11—C10118.2 (4)S2ii—C16—S227.03 (19)
C13—C12—C11120.0 (5)C16ii—C16—O2ii136.0 (7)
C13—C12—H12A120.0F1ii—C16—O2ii129.2 (13)
C11—C12—H12A120.0F2—C16—O2ii36.7 (4)
C12—C13—C14119.6 (5)F1—C16—O2ii122.8 (12)
C12—C13—H13A120.2S2ii—C16—O2ii46.7 (3)
C14—C13—H13A120.2S2—C16—O2ii73.7 (4)
N2—C14—C13125.8 (5)C16ii—F1—C1635.7 (8)
N2—C14—H14A117.1O2ii—F2—C1699.3 (7)
C13—C14—H14A117.1O2ii—F2—S2ii45.0 (4)
C7—C15—C11121.2 (4)C16—F2—S2ii54.3 (5)
N1i—Ag1—N1—C1148.4 (3)C16—S2—O2—C16ii3.6 (14)
N1i—Ag1—N1—C533.3 (3)F2ii—S2—O2—C16ii2.0 (9)
C5—N1—C1—C21.4 (6)S2ii—S2—C16—C16ii175 (3)
Ag1—N1—C1—C2177.1 (3)O1ii—S2—C16—C16ii111 (3)
N1—C1—C2—C30.2 (6)O2—S2—C16—C16ii8 (3)
C1—C2—C3—C40.8 (5)O1—S2—C16—C16ii124 (3)
C1—C2—C3—S1179.7 (3)F2ii—S2—C16—C16ii4 (3)
C6—S1—C3—C4176.6 (3)S2ii—S2—C16—F1ii124.2 (13)
C6—S1—C3—C23.9 (4)O1ii—S2—C16—F1ii172.0 (8)
C2—C3—C4—C50.7 (5)O2—S2—C16—F1ii53.5 (11)
S1—C3—C4—C5179.8 (3)O1—S2—C16—F1ii63.1 (9)
C1—N1—C5—C41.6 (5)C16ii—S2—C16—F1ii61 (2)
Ag1—N1—C5—C4176.8 (3)F2ii—S2—C16—F1ii56.9 (7)
C3—C4—C5—N10.6 (6)S2ii—S2—C16—F21.3 (9)
C3—S1—C6—C7177.1 (3)O1ii—S2—C16—F262.5 (13)
S1—C6—C7—C885.8 (5)O2—S2—C16—F2178.9 (11)
S1—C6—C7—C1596.2 (4)O1—S2—C16—F262.3 (12)
C15—C7—C8—C90.0 (7)C16ii—S2—C16—F2173 (4)
C6—C7—C8—C9178.1 (4)F2ii—S2—C16—F2177.6 (14)
C7—C8—C9—C100.1 (7)S2ii—S2—C16—F1122.2 (12)
C8—C9—C10—C110.9 (7)O1ii—S2—C16—F158.3 (8)
C9—C10—C11—C12176.8 (4)O2—S2—C16—F160.2 (9)
C9—C10—C11—C151.9 (6)O1—S2—C16—F1176.8 (7)
C15—C11—C12—C130.7 (6)C16ii—S2—C16—F152 (2)
C10—C11—C12—C13177.9 (5)F2ii—S2—C16—F156.8 (6)
C11—C12—C13—C142.3 (7)O1ii—S2—C16—S2ii63.8 (6)
C15—N2—C14—C131.2 (7)O2—S2—C16—S2ii177.6 (7)
C12—C13—C14—N22.7 (8)O1—S2—C16—S2ii61.0 (6)
C8—C7—C15—C111.0 (6)C16ii—S2—C16—S2ii175 (3)
C6—C7—C15—C11177.2 (4)F2ii—S2—C16—S2ii178.9 (9)
C8—C7—C15—N2178.6 (4)S2ii—S2—C16—O2ii2.2 (4)
C6—C7—C15—N20.4 (5)O1ii—S2—C16—O2ii61.6 (6)
C12—C11—C15—C7176.8 (4)O2—S2—C16—O2ii179.8 (4)
C10—C11—C15—C72.0 (6)O1—S2—C16—O2ii63.2 (6)
C12—C11—C15—N20.7 (6)C16ii—S2—C16—O2ii172 (3)
C10—C11—C15—N2179.5 (4)F2ii—S2—C16—O2ii176.7 (8)
C14—N2—C15—C7177.1 (4)F1ii—C16—F1—C16ii68.7 (17)
C14—N2—C15—C110.5 (6)F2—C16—F1—C16ii170 (2)
O1ii—S2—O1—S2ii60.5 (3)S2ii—C16—F1—C16ii76.1 (12)
O2—S2—O1—S2ii166.4 (4)S2—C16—F1—C16ii49.7 (11)
C16ii—S2—O1—S2ii80.4 (5)O2ii—C16—F1—C16ii131.4 (18)
C16—S2—O1—S2ii55.6 (5)C16ii—C16—F2—O2ii40 (18)
F2ii—S2—O1—S2ii128.5 (4)F1ii—C16—F2—O2ii126.4 (10)
S2ii—S2—O2—F2ii15 (3)F1—C16—F2—O2ii117.7 (9)
O1ii—S2—O2—F2ii109.0 (6)S2ii—C16—F2—O2ii2.1 (9)
O1—S2—O2—F2ii114.7 (6)S2—C16—F2—O2ii1.5 (13)
C16ii—S2—O2—F2ii2.0 (9)C16ii—C16—F2—S2ii42 (18)
C16—S2—O2—F2ii5.6 (9)F1ii—C16—F2—S2ii124.3 (15)
S2ii—S2—O2—C16ii13 (2)F1—C16—F2—S2ii119.8 (13)
O1ii—S2—O2—C16ii110.9 (8)S2—C16—F2—S2ii0.6 (4)
O1—S2—O2—C16ii112.7 (8)O2ii—C16—F2—S2ii2.1 (9)
Symmetry codes: (i) x+1, y, z1/2; (ii) x+1, y, z+3/2.
 

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