Download citation
Download citation
link to html
Colourless prismatic crystals of the title compound, [Ag(C21H18N2O2)](CF3O3S), form from ethanol solution of equivalent amounts of Ag(CF3SO3) and O,O′-bis(8-quinolyl)-1,5-dioxa­pentane [DPOQ; systematic name: 8,8′-(propane-1,3-diyl­dioxy)­di­quinoline]. Building-block [Ag(DPOQ)] motifs and CF3SO3 anions are connected via alternating weak C—H...O hydrogen-bond interactions into a three-dimensional network.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536802021529/ww6050sup1.cif
Contains datablocks I, global

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536802021529/ww6050Isup2.hkl
Contains datablock I

CCDC reference: 202308

Key indicators

  • Single-crystal X-ray study
  • T = 293 K
  • Mean [sigma](C-C) = 0.005 Å
  • R factor = 0.043
  • wR factor = 0.123
  • Data-to-parameter ratio = 13.5

checkCIF results

No syntax errors found

ADDSYM reports no extra symmetry


Red Alert Alert Level A:
GEOM_008 Alert A _geom_angle is missing Angle between atom sites 1, 2 and 3. General Notes
FORMU_01 There is a discrepancy between the atom counts in the _chemical_formula_sum and _chemical_formula_moiety. This is usually due to the moiety formula being in the wrong format. Atom count from _chemical_formula_sum: C22 H18 Ag1 F3 N2 O5 S1 Atom count from _chemical_formula_moiety:C22 H18 Ag2 F3 N2 O5 S1
1 Alert Level A = Potentially serious problem
0 Alert Level B = Potential problem
0 Alert Level C = Please check

Comment top

Much interest has been shown during the last decade in the coordination chemistry of the lithium ion (Subramanian et al., 1995) since it has been successfully used in the treatment of maniac depression, neurological and psychological disorder. O,O'-Bis(8-quinolyl)-1,5-dioxapentane (DPOQ) and its derivatives have been investigated for both transportation and quantitative estimation of lithium (Hiratani et al., 1987). In previous studies, we have used this highly flexible ligand with a long spacer, (CH2)6, O,O'-bis(8-quinolyl)-1,5-dioxaoctane (ODOQ; Cai et al., 2001). In those complexes, the high flexibility of ODOQ seemed to play an important roles in the formation of single-strand double-helical structures. Very recently, we have obtained discrete single-strand helical complexes constructed by the ligand O,O'-bis(8-quinolyl)-1,8-dioxaheptane (OHOQ), containing non-restrained spacer (CH2)5 (Cai et al., 2002). These findings prompted us to systematiclly investigate the influence of the spacers on fabricating new supramolecules structures. Herein we report the crystal structure of the title complex, (I).

The molecule of (I) consists of the CF3SO3 anion and Ag(DPOQ)+ cation, which semi-encloses a bent structure. Each silver(I) ion in the Ag(DPOQ)+ cation is coordinated to two imino N atoms and two O atoms of two 8-quinoline groups. The average Ag—N and Ag—O bond distances are 2.21 and 2.56 (3) Å, respectively. The N—Ag—N and O—Ag—O angles are 136.73 (8) and 72.09°, respectively. The environment of the silver(I) ion may be treated as a tetrahedron. The CF3SO3 anion does not bind to AgI, but is involved in the formation of intermolecular interactions through its O atoms. Each CF3SO3 anion forms acceptor hydrogen bonds with four neighboring Ag(DPOQ)+ cations on the ridge side of the cations, through four weak C—H···O hydrogen bonds, with an average C—O bond distance and C—H···O bond angle of 3.35 (8) Å and 153.02 (10)°, respectively (Braga et al., 1998), thus forming a three-dimensional network.

Experimental top

The title compound was prepared and characterized by a modification of the procedure of Cai et al. (2001). A solution of Ag(CF3SO3) (0.031 g, 0.12 mmol) in acetonitrile (10 ml) was added dropwise to a stirred solution of ligand DPOQ (0.04 g, 0.12 mmol) in MeOH (10 ml) at room temperature and the resulting mixture stirred for 30 min. Pale-yellow single crystals (0.06 g, 85%) were obtained from acetone by slow evaporation of the solvent. The assigned structure was substantiated by EA and MS data. Elemental analysis calculated For C22H18AgF3N2O5S: C 44.97, H 3.07, N 4.77%; found: C 44.85%, H 3.13, N 4.79% FAB-MS m/z (%): 588 (M++1, 68), 587 (M+, 56), 459 (M+ - C9H6N, 100), 330 (M+ - Ag, 81).

Refinement top

Most of H atoms were placed in idealized positions and forced to ride on the atom to which they are bonded; however, some H atoms were introduced by peaks of electron densities for obtaining good result. [Please clarify this text; all H atoms seem to have been refined]

Computing details top

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

Figures top
[Figure 1] Fig. 1. View of the title molecule with the atomic labelling.
[Figure 2] Fig. 2. The three-dimensional coordination network in (I), viewed in the direction of the b axis.
[8,8'-(Propane-1,3-diyldioxy)diquinoline-κ4N,O,O',N']silver(I) trifluoromethanesulfonate top
Crystal data top
[Ag(C21H18N2O2)](CF3O3S)Dx = 1.796 Mg m3
Mr = 587.31Melting point: decomposition at about 188°C K
Monoclinic, C2/cMo Kα radiation, λ = 0.71073 Å
a = 21.9899 (11) ÅCell parameters from 5699 reflections
b = 13.3576 (11) Åθ = 4.8–55.0°
c = 15.2317 (10) ŵ = 1.09 mm1
β = 103.828 (2)°T = 293 K
V = 4344.4 (5) Å3Prism, colourless
Z = 80.28 × 0.12 × 0.10 mm
F(000) = 2352
Data collection top
Bruker CCD area-detector
diffractometer
5118 independent reflections
Radiation source: fine-focus sealed tube3801 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.065
ϕ and ω scansθmax = 28.3°, θmin = 1.8°
Absorption correction: multi-scan
(SADABS; Sheldrick, 1997)
h = 2829
Tmin = 0.664, Tmax = 0.897k = 1717
12912 measured reflectionsl = 1320
Refinement top
Refinement on F2Secondary atom site location: difference Fourier map
Least-squares matrix: fullHydrogen site location: inferred from neighbouring sites
R[F2 > 2σ(F2)] = 0.043All H-atom parameters refined
wR(F2) = 0.123 w = 1/[σ2(Fo2) + (0.068P)2 + 0.8339P]
where P = (Fo2 + 2Fc2)/3
S = 1.03(Δ/σ)max = 0.001
5118 reflectionsΔρmax = 0.96 e Å3
380 parametersΔρmin = 1.00 e Å3
2 restraintsExtinction correction: SHELXL97
Primary atom site location: structure-invariant direct methodsExtinction coefficient: 0.00076 (13)
Crystal data top
[Ag(C21H18N2O2)](CF3O3S)V = 4344.4 (5) Å3
Mr = 587.31Z = 8
Monoclinic, C2/cMo Kα radiation
a = 21.9899 (11) ŵ = 1.09 mm1
b = 13.3576 (11) ÅT = 293 K
c = 15.2317 (10) Å0.28 × 0.12 × 0.10 mm
β = 103.828 (2)°
Data collection top
Bruker CCD area-detector
diffractometer
5118 independent reflections
Absorption correction: multi-scan
(SADABS; Sheldrick, 1997)
3801 reflections with I > 2σ(I)
Tmin = 0.664, Tmax = 0.897Rint = 0.065
12912 measured reflections
Refinement top
R[F2 > 2σ(F2)] = 0.0432 restraints
wR(F2) = 0.123All H-atom parameters refined
S = 1.03Δρmax = 0.96 e Å3
5118 reflectionsΔρmin = 1.00 e Å3
380 parameters
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. 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
Ag0.249255 (12)0.645647 (17)0.20696 (2)0.06940 (15)
S0.47577 (4)0.33781 (7)0.03920 (6)0.0554 (2)
O10.34968 (8)0.69731 (14)0.15939 (13)0.0441 (4)
O20.31530 (8)0.48874 (13)0.20649 (14)0.0438 (4)
O30.41237 (13)0.3696 (2)0.0221 (2)0.0812 (8)
O40.51797 (19)0.3943 (3)0.1037 (3)0.1247 (13)
O50.49417 (14)0.3110 (2)0.0408 (2)0.0841 (8)
N10.23503 (10)0.78292 (17)0.12402 (14)0.0404 (5)
N20.19644 (10)0.50602 (18)0.21552 (16)0.0440 (5)
F10.5309 (2)0.1820 (3)0.1230 (3)0.1555 (16)
F20.4384 (3)0.1545 (3)0.0418 (3)0.200 (3)
F30.45194 (17)0.2249 (4)0.1666 (2)0.1434 (14)
C10.17932 (15)0.8259 (3)0.1066 (2)0.0495 (7)
C20.16593 (18)0.9185 (3)0.0621 (2)0.0585 (8)
C30.21224 (18)0.9664 (3)0.0352 (2)0.0596 (9)
C40.27265 (15)0.9241 (2)0.05047 (18)0.0489 (7)
C50.32288 (19)0.9691 (3)0.0229 (2)0.0608 (9)
C60.3784 (2)0.9223 (3)0.0358 (2)0.0658 (9)
C70.38925 (17)0.8296 (3)0.0796 (2)0.0540 (7)
C80.34244 (13)0.7842 (2)0.11167 (18)0.0410 (6)
C90.28213 (13)0.8298 (2)0.09606 (17)0.0389 (6)
C100.41194 (13)0.6561 (2)0.1874 (2)0.0495 (7)
C110.41283 (13)0.5739 (2)0.2546 (2)0.0453 (6)
C120.38186 (13)0.4778 (2)0.2161 (2)0.0452 (6)
C130.27898 (13)0.4071 (2)0.18118 (17)0.0401 (6)
C140.29890 (17)0.3201 (2)0.1508 (2)0.0509 (7)
C150.25664 (19)0.2396 (3)0.1252 (2)0.0599 (8)
C160.19665 (19)0.2464 (3)0.1290 (2)0.0600 (9)
C170.17426 (15)0.3357 (2)0.15998 (18)0.0485 (7)
C180.11172 (17)0.3493 (3)0.1648 (2)0.0624 (9)
C190.09370 (16)0.4372 (3)0.1955 (3)0.0687 (10)
C200.13709 (14)0.5138 (3)0.2208 (2)0.0563 (8)
C210.21558 (12)0.4173 (2)0.18677 (17)0.0398 (6)
C220.4748 (2)0.2189 (4)0.0945 (3)0.0836 (12)
H10.1476 (15)0.790 (2)0.1271 (19)0.047 (8)*
H20.1223 (18)0.932 (3)0.052 (2)0.065 (10)*
H30.2034 (16)1.024 (3)0.008 (2)0.063 (10)*
H40.3145 (15)1.026 (3)0.007 (2)0.056 (9)*
H50.4126 (13)0.943 (3)0.018 (3)0.082 (12)*
H60.4273 (15)0.791 (2)0.0856 (19)0.043 (8)*
H70.4382 (17)0.715 (3)0.216 (2)0.066 (10)*
H80.4289 (17)0.631 (3)0.135 (2)0.060 (10)*
H90.4525 (16)0.555 (3)0.284 (2)0.055 (9)*
H100.3969 (15)0.596 (3)0.305 (2)0.051 (8)*
H110.3901 (15)0.460 (3)0.161 (2)0.056 (9)*
H120.3977 (13)0.427 (2)0.2534 (19)0.037 (7)*
H130.3422 (19)0.315 (3)0.145 (2)0.068 (10)*
H140.2735 (17)0.185 (3)0.103 (2)0.062 (10)*
H150.1708 (15)0.195 (3)0.106 (2)0.050 (8)*
H160.0832 (17)0.289 (3)0.149 (2)0.064 (10)*
H170.053 (2)0.446 (3)0.197 (3)0.089 (13)*
H180.1249 (15)0.5742 (17)0.239 (2)0.053 (9)*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Ag0.0644 (2)0.03538 (16)0.1245 (3)0.00648 (10)0.05438 (18)0.01468 (13)
S0.0422 (4)0.0631 (5)0.0594 (5)0.0022 (3)0.0090 (3)0.0127 (4)
O10.0386 (9)0.0392 (10)0.0571 (11)0.0018 (8)0.0165 (8)0.0076 (9)
O20.0355 (9)0.0331 (9)0.0636 (12)0.0008 (7)0.0134 (8)0.0016 (9)
O30.0613 (15)0.100 (2)0.0830 (17)0.0234 (14)0.0179 (13)0.0027 (16)
O40.111 (3)0.122 (3)0.115 (3)0.037 (2)0.023 (2)0.030 (2)
O50.091 (2)0.090 (2)0.0861 (18)0.0160 (16)0.0510 (16)0.0090 (16)
N10.0437 (12)0.0387 (11)0.0372 (11)0.0006 (9)0.0064 (9)0.0031 (9)
N20.0395 (11)0.0432 (13)0.0499 (13)0.0002 (9)0.0119 (10)0.0105 (10)
F10.143 (3)0.155 (3)0.175 (3)0.088 (3)0.052 (3)0.076 (3)
F20.347 (7)0.097 (3)0.119 (3)0.091 (4)0.016 (4)0.030 (2)
F30.131 (3)0.217 (4)0.0899 (19)0.029 (3)0.0407 (18)0.065 (2)
C10.0468 (16)0.0514 (16)0.0477 (16)0.0053 (13)0.0065 (13)0.0060 (14)
C20.061 (2)0.0569 (19)0.0503 (17)0.0192 (16)0.0003 (15)0.0015 (15)
C30.082 (2)0.0496 (18)0.0422 (16)0.0171 (17)0.0043 (15)0.0045 (14)
C40.074 (2)0.0419 (15)0.0302 (13)0.0033 (14)0.0102 (13)0.0007 (11)
C50.091 (3)0.0476 (18)0.0457 (17)0.0030 (17)0.0205 (16)0.0129 (15)
C60.084 (3)0.061 (2)0.061 (2)0.0163 (19)0.0347 (18)0.0082 (16)
C70.0605 (19)0.0536 (18)0.0549 (18)0.0055 (15)0.0275 (15)0.0039 (14)
C80.0495 (15)0.0372 (13)0.0378 (13)0.0039 (11)0.0137 (11)0.0021 (11)
C90.0516 (15)0.0359 (12)0.0289 (12)0.0006 (11)0.0092 (11)0.0033 (10)
C100.0359 (14)0.0491 (17)0.0665 (19)0.0004 (12)0.0185 (14)0.0038 (15)
C110.0322 (13)0.0503 (16)0.0523 (17)0.0028 (11)0.0079 (12)0.0032 (13)
C120.0391 (14)0.0428 (15)0.0548 (17)0.0087 (12)0.0134 (12)0.0043 (14)
C130.0478 (14)0.0359 (13)0.0370 (13)0.0012 (11)0.0108 (11)0.0056 (11)
C140.065 (2)0.0411 (15)0.0514 (17)0.0002 (14)0.0233 (14)0.0014 (13)
C150.091 (3)0.0437 (17)0.0503 (18)0.0088 (16)0.0271 (17)0.0082 (14)
C160.085 (2)0.0474 (17)0.0455 (17)0.0251 (17)0.0117 (16)0.0035 (14)
C170.0560 (17)0.0527 (16)0.0330 (13)0.0146 (13)0.0032 (12)0.0085 (12)
C180.0514 (18)0.072 (2)0.0587 (19)0.0225 (17)0.0035 (15)0.0141 (17)
C190.0404 (17)0.082 (3)0.083 (2)0.0051 (17)0.0146 (17)0.024 (2)
C200.0430 (15)0.0585 (19)0.070 (2)0.0058 (14)0.0180 (14)0.0168 (17)
C210.0438 (14)0.0408 (14)0.0327 (12)0.0036 (11)0.0051 (10)0.0104 (11)
C220.090 (3)0.098 (3)0.059 (2)0.019 (3)0.011 (2)0.016 (2)
Geometric parameters (Å, º) top
Ag—N12.206 (2)C6—C71.400 (5)
Ag—N22.217 (2)C6—H50.899 (19)
Ag—O22.5509 (18)C7—C81.380 (4)
Ag—O12.5775 (17)C7—H60.97 (3)
S—O41.400 (3)C8—C91.426 (4)
S—O51.419 (3)C10—C111.498 (4)
S—O31.421 (3)C10—H71.01 (4)
S—C221.801 (5)C10—H81.01 (4)
O1—C81.359 (3)C11—C121.505 (4)
O1—C101.442 (3)C11—H90.92 (3)
O2—C131.352 (3)C11—H100.97 (3)
O2—C121.443 (3)C12—H110.93 (3)
N1—C11.321 (4)C12—H120.90 (3)
N1—C91.363 (4)C13—C141.361 (4)
N2—C201.331 (4)C13—C211.423 (4)
N2—C211.365 (4)C14—C151.414 (5)
F1—C221.302 (5)C14—H130.98 (4)
F2—C221.310 (6)C15—C161.337 (5)
F3—C221.315 (5)C15—H140.92 (4)
C1—C21.407 (5)C16—C171.413 (5)
C1—H10.96 (3)C16—H150.90 (3)
C2—C31.347 (5)C17—C181.406 (5)
C2—H20.95 (4)C17—C211.415 (4)
C3—C41.411 (5)C18—C191.357 (6)
C3—H30.88 (4)C18—H161.02 (4)
C4—C51.407 (5)C19—C201.390 (5)
C4—C91.430 (4)C19—H170.90 (4)
C5—C61.344 (5)C20—H180.913 (18)
C5—H40.88 (4)
N1—Ag—N2O1—C10—C11
N1—Ag—O2O1—C10—H7
N2—Ag—O2C11—C10—H7
N1—Ag—O1O1—C10—H8
N2—Ag—O1C11—C10—H8
O2—Ag—O1H7—C10—H8
O4—S—O5C10—C11—C12
O4—S—O3C10—C11—H9
O5—S—O3C12—C11—H9
O4—S—C22C10—C11—H10
O5—S—C22C12—C11—H10
O3—S—C22H9—C11—H10
C8—O1—C10O2—C12—C11
C8—O1—AgO2—C12—H11
C10—O1—AgC11—C12—H11
C13—O2—C12O2—C12—H12
C13—O2—AgC11—C12—H12
C12—O2—AgH11—C12—H12
C1—N1—C9O2—C13—C14
C1—N1—AgO2—C13—C21
C9—N1—AgC14—C13—C21
C20—N2—C21C13—C14—C15
C20—N2—AgC13—C14—H13
C21—N2—AgC15—C14—H13
N1—C1—C2C16—C15—C14
N1—C1—H1C16—C15—H14
C2—C1—H1C14—C15—H14
C3—C2—C1C15—C16—C17
C3—C2—H2C15—C16—H15
C1—C2—H2C17—C16—H15
C2—C3—C4C18—C17—C16
C2—C3—H3C18—C17—C21
C4—C3—H3C16—C17—C21
C5—C4—C3C19—C18—C17
C5—C4—C9C19—C18—H16
C3—C4—C9C17—C18—H16
C6—C5—C4C18—C19—C20
C6—C5—H4C18—C19—H17
C4—C5—H4C20—C19—H17
C5—C6—C7N2—C20—C19
C5—C6—H5N2—C20—H18
C7—C6—H5C19—C20—H18
C8—C7—C6N2—C21—C17
C8—C7—H6N2—C21—C13
C6—C7—H6C17—C21—C13
O1—C8—C7F1—C22—F2
O1—C8—C9F1—C22—F3
C7—C8—C9F2—C22—F3
N1—C9—C8F1—C22—S
N1—C9—C4F2—C22—S
C8—C9—C4F3—C22—S
N1—Ag—O1—C82.77 (16)C5—C4—C9—N1179.9 (3)
N2—Ag—O1—C8139.32 (17)C3—C4—C9—N10.3 (4)
O2—Ag—O1—C8157.25 (18)C5—C4—C9—C80.3 (4)
N1—Ag—O1—C10172.6 (2)C3—C4—C9—C8179.3 (3)
N2—Ag—O1—C1050.9 (3)C8—O1—C10—C11168.1 (2)
O2—Ag—O1—C1032.9 (2)Ag—O1—C10—C111.2 (4)
N1—Ag—O2—C13112.85 (17)O1—C10—C11—C1273.4 (3)
N2—Ag—O2—C1320.85 (16)C13—O2—C12—C11173.6 (2)
O1—Ag—O2—C13146.14 (18)Ag—O2—C12—C1116.6 (4)
N1—Ag—O2—C1257.4 (3)C10—C11—C12—O281.9 (3)
N2—Ag—O2—C12168.9 (3)C12—O2—C13—C1410.6 (4)
O1—Ag—O2—C1224.1 (2)Ag—O2—C13—C14161.1 (2)
N2—Ag—N1—C143.0 (3)C12—O2—C13—C21170.3 (2)
O2—Ag—N1—C1146.16 (19)Ag—O2—C13—C2118.0 (3)
O1—Ag—N1—C1179.6 (2)O2—C13—C14—C15179.3 (3)
N2—Ag—N1—C9142.40 (19)C21—C13—C14—C150.3 (4)
O2—Ag—N1—C939.2 (2)C13—C14—C15—C160.7 (5)
O1—Ag—N1—C95.03 (18)C14—C15—C16—C170.5 (5)
N1—Ag—N2—C2050.8 (3)C15—C16—C17—C18179.1 (3)
O2—Ag—N2—C20179.5 (3)C15—C16—C17—C210.0 (5)
O1—Ag—N2—C20162.0 (2)C16—C17—C18—C19179.8 (3)
N1—Ag—N2—C21108.0 (2)C21—C17—C18—C191.1 (5)
O2—Ag—N2—C2121.75 (18)C17—C18—C19—C200.9 (5)
O1—Ag—N2—C213.2 (3)C21—N2—C20—C192.3 (5)
C9—N1—C1—C21.2 (4)Ag—N2—C20—C19157.0 (3)
Ag—N1—C1—C2173.7 (2)C18—C19—C20—N20.8 (6)
N1—C1—C2—C30.2 (5)C20—N2—C21—C172.1 (4)
C1—C2—C3—C40.7 (5)Ag—N2—C21—C17156.7 (2)
C2—C3—C4—C5178.9 (3)C20—N2—C21—C13179.6 (3)
C2—C3—C4—C90.7 (4)Ag—N2—C21—C1321.6 (3)
C3—C4—C5—C6176.8 (3)C18—C17—C21—N20.5 (4)
C9—C4—C5—C62.8 (5)C16—C17—C21—N2178.7 (3)
C4—C5—C6—C72.4 (6)C18—C17—C21—C13178.8 (2)
C5—C6—C7—C80.6 (5)C16—C17—C21—C130.4 (4)
C10—O1—C8—C77.6 (4)O2—C13—C21—N20.6 (3)
Ag—O1—C8—C7178.7 (2)C14—C13—C21—N2178.6 (3)
C10—O1—C8—C9171.6 (2)O2—C13—C21—C17178.9 (2)
Ag—O1—C8—C90.5 (3)C14—C13—C21—C170.2 (4)
C6—C7—C8—O1176.1 (3)O4—S—C22—F154.0 (4)
C6—C7—C8—C93.1 (5)O5—S—C22—F168.5 (4)
C1—N1—C9—C8178.4 (3)O3—S—C22—F1174.1 (4)
Ag—N1—C9—C87.0 (3)O4—S—C22—F2178.1 (5)
C1—N1—C9—C41.2 (4)O5—S—C22—F255.6 (5)
Ag—N1—C9—C4173.39 (18)O3—S—C22—F261.7 (5)
O1—C8—C9—N13.7 (3)O4—S—C22—F364.6 (4)
C7—C8—C9—N1177.0 (3)O5—S—C22—F3172.9 (3)
O1—C8—C9—C4176.7 (2)O3—S—C22—F355.6 (4)
C7—C8—C9—C42.6 (4)

Experimental details

Crystal data
Chemical formula[Ag(C21H18N2O2)](CF3O3S)
Mr587.31
Crystal system, space groupMonoclinic, C2/c
Temperature (K)293
a, b, c (Å)21.9899 (11), 13.3576 (11), 15.2317 (10)
β (°) 103.828 (2)
V3)4344.4 (5)
Z8
Radiation typeMo Kα
µ (mm1)1.09
Crystal size (mm)0.28 × 0.12 × 0.10
Data collection
DiffractometerBruker CCD area-detector
diffractometer
Absorption correctionMulti-scan
(SADABS; Sheldrick, 1997)
Tmin, Tmax0.664, 0.897
No. of measured, independent and
observed [I > 2σ(I)] reflections
12912, 5118, 3801
Rint0.065
(sin θ/λ)max1)0.666
Refinement
R[F2 > 2σ(F2)], wR(F2), S 0.043, 0.123, 1.03
No. of reflections5118
No. of parameters380
No. of restraints2
H-atom treatmentAll H-atom parameters refined
Δρmax, Δρmin (e Å3)0.96, 1.00

Computer programs: SMART (Bruker, 1998), SMART, SHELXTL (Bruker, 1998), SHELXS97 (Sheldrick, 1997), SHELXL97 (Sheldrick, 1997), XP in SHELXTL, SHELXTL.

 

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