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In the title compound, [Ag(C6H14N2)](CF3SO3), the Ag atom is coordinated by two N atoms from the two symmetry-related 1,2-di­amino­cyclo­hexane ligands, giving linear polymeric chains with a [-silver-ligand-]n backbone running parallel to the a direction. In the crystal packing, the polymeric chains are interconnected by Ag...Ag short contacts, forming a two-dimensional crosslinked polymer perpendicular to the b direction. The Ag atom and the C, S, two O and two F atoms of the tri­fluoro­methane­sulfonate anion lie on the same glide plane.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S160053680300240X/cv6167sup1.cif
Contains datablocks global, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S160053680300240X/cv6167Isup2.hkl
Contains datablock I

CCDC reference: 206746

Key indicators

  • Single-crystal X-ray study
  • T = 293 K
  • Mean [sigma](C-C) = 0.009 Å
  • R factor = 0.065
  • wR factor = 0.163
  • Data-to-parameter ratio = 14.8

checkCIF results

No syntax errors found

ADDSYM reports no extra symmetry








Computing details top

Data collection: SMART (Siemens, 1996); cell refinement: SAINT (Siemens, 1996); data reduction: SAINT; program(s) used to solve structure: SHELXTL (Sheldrick, 1997); program(s) used to refine structure: SHELXTL; molecular graphics: SHELXTL; software used to prepare material for publication: SHELXTL, PARST (Nardelli, 1995) and PLATON (Spek, 1990).

(1,2-Diaminocyclohexane)silver(I) trifluoromethanesulfonate top
Crystal data top
[Ag(C6H14N2)](CF3SO3)Dx = 1.977 Mg m3
Mr = 371.13Mo Kα radiation, λ = 0.71073 Å
Orthorhombic, CmcaCell parameters from 4148 reflections
a = 10.0830 (7) Åθ = 2.6–28.3°
b = 23.9960 (16) ŵ = 1.82 mm1
c = 10.3082 (7) ÅT = 293 K
V = 2494.1 (3) Å3Slab, colorless
Z = 80.40 × 0.26 × 0.10 mm
F(000) = 1472
Data collection top
Siemens SMART CCD area-detector
diffractometer
1633 independent reflections
Radiation source: fine-focus sealed tube1384 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.026
Detector resolution: 8.33 pixels mm-1θmax = 28.3°, θmin = 2.6°
ω scansh = 1313
Absorption correction: empirical (using intensity measurements)
(SADABS; Sheldrick, 1996)
k = 2831
Tmin = 0.530, Tmax = 0.839l = 1310
7471 measured reflections
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)] = 0.065Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.163H atoms treated by a mixture of independent and constrained refinement
S = 1.20 w = 1/[σ2(Fo2) + (0.0599P)2 + 22.9337P]
where P = (Fo2 + 2Fc2)/3
1633 reflections(Δ/σ)max < 0.001
110 parametersΔρmax = 1.34 e Å3
0 restraintsΔρmin = 0.91 e Å3
Special details top

Experimental. The data collection covered over a hemisphere of reciprocal space by a combination of three sets of exposures; each set had a different φ angle (0, 88 and 180°) for the crystal and each exposure of 30 s covered 0.3° in ω. The crystal-to-detector distance was 5 cm and the detector swing angle was -35°. Crystal decay was monitored by repeating fifty initial frames at the end of data collection and analysing the intensity of duplicate reflections, and was found to be negligible.

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)
Ag10.50000.05136 (3)0.10755 (7)0.0485 (3)
S10.50000.06700 (9)0.3194 (4)0.0645 (8)
O10.50000.0503 (6)0.1739 (17)0.101 (7)0.50
O1A0.50000.0840 (13)0.474 (2)0.155 (11)0.50
O20.6239 (9)0.0500 (3)0.3509 (11)0.130 (3)
N10.7143 (6)0.0583 (2)0.1102 (6)0.0483 (13)
F10.6069 (8)0.1595 (3)0.2495 (11)0.159 (3)
F20.50000.1265 (19)0.142 (2)0.27 (2)0.50
F2A0.50000.1664 (6)0.4024 (18)0.110 (6)0.50
C10.7692 (6)0.1075 (2)0.1786 (5)0.0380 (11)
C20.7213 (7)0.1601 (3)0.1122 (6)0.0502 (15)
H2B0.62510.16040.11130.060*
H2C0.75180.16020.02300.060*
C30.7707 (8)0.2124 (3)0.1796 (7)0.0630 (18)
H3A0.86670.21420.17380.076*
H3B0.73470.24510.13670.076*
C40.50000.1377 (5)0.2784 (14)0.078 (4)
H10.863 (6)0.106 (2)0.180 (5)0.024 (12)*
H210.745 (7)0.028 (3)0.139 (6)0.040 (17)*
H110.747 (8)0.058 (3)0.036 (7)0.05 (2)*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Ag10.0443 (4)0.0442 (4)0.0569 (4)0.0000.0000.0128 (3)
S10.0390 (12)0.0322 (10)0.122 (2)0.0000.0000.0015 (13)
O10.19 (2)0.054 (9)0.056 (9)0.0000.0000.044 (8)
O1A0.22 (3)0.19 (3)0.056 (12)0.0000.0000.011 (15)
O20.091 (6)0.111 (6)0.187 (8)0.034 (5)0.016 (6)0.054 (6)
N10.051 (3)0.038 (3)0.056 (3)0.005 (2)0.007 (3)0.010 (2)
F10.128 (6)0.091 (4)0.256 (10)0.050 (4)0.019 (7)0.040 (6)
F20.38 (6)0.38 (5)0.046 (10)0.0000.0000.09 (2)
F2A0.124 (14)0.070 (9)0.137 (14)0.0000.0000.077 (10)
C10.032 (3)0.038 (3)0.044 (3)0.000 (2)0.006 (2)0.001 (2)
C20.053 (4)0.044 (3)0.053 (3)0.001 (3)0.001 (3)0.008 (3)
C30.069 (5)0.039 (3)0.081 (5)0.001 (3)0.003 (4)0.011 (3)
C40.055 (6)0.069 (7)0.110 (11)0.0000.0000.031 (7)
Geometric parameters (Å, º) top
Ag1—N1i2.167 (6)F2—C41.43 (3)
Ag1—N12.167 (6)F2—F1i1.74 (3)
Ag1—O12.534 (13)F2A—C41.453 (19)
Ag1—Ag1ii3.3154 (13)C1—C21.516 (8)
S1—O2i1.354 (8)C1—C1iii1.522 (11)
S1—O21.354 (8)C1—H10.95 (6)
S1—O11.553 (15)C2—C31.519 (9)
S1—O1A1.65 (2)C2—H2B0.9700
S1—C41.748 (12)C2—H2C0.9700
N1—C11.482 (7)C3—C3iii1.510 (15)
N1—H210.84 (7)C3—H3A0.9700
N1—H110.83 (8)C3—H3B0.9700
F1—C41.235 (8)C4—F1i1.235 (8)
F1—F21.74 (3)
N1i—Ag1—N1171.1 (3)N1—C1—C1iii111.4 (4)
N1i—Ag1—O194.04 (16)C2—C1—C1iii110.8 (4)
N1—Ag1—O194.04 (16)N1—C1—H1110 (3)
N1i—Ag1—Ag1ii93.76 (14)C2—C1—H1111 (3)
N1—Ag1—Ag1ii93.76 (14)C1iii—C1—H1104 (3)
O1—Ag1—Ag1ii57.6 (4)C1—C2—C3112.2 (5)
O2i—S1—O2134.8 (8)C1—C2—H2B109.2
O2i—S1—O198.9 (6)C3—C2—H2B109.2
O2—S1—O198.9 (6)C1—C2—H2C109.2
O2i—S1—O1A80.9 (6)C3—C2—H2C109.2
O2—S1—O1A80.9 (6)H2B—C2—H2C107.9
O1—S1—O1A179.4 (13)C3iii—C3—C2110.4 (5)
O2i—S1—C4110.5 (4)C3iii—C3—H3A109.6
O2—S1—C4110.5 (4)C2—C3—H3A109.6
O1—S1—C490.9 (8)C3iii—C3—H3B109.6
O1A—S1—C489.6 (12)C2—C3—H3B109.6
S1—O1—Ag1120.6 (10)H3A—C3—H3B108.1
C1—N1—Ag1116.1 (4)F1i—C4—F1121.6 (12)
C1—N1—H21112 (5)F1i—C4—F280.9 (11)
Ag1—N1—H21108 (5)F1—C4—F280.9 (11)
C1—N1—H11108 (5)F1i—C4—F2A90.6 (10)
Ag1—N1—H11112 (6)F1—C4—F2A90.6 (10)
H21—N1—H11100 (6)F2—C4—F2A162 (2)
C4—F1—F254.4 (9)F1i—C4—S1118.0 (6)
C4—F2—F1i44.7 (9)F1—C4—S1118.0 (6)
C4—F2—F144.7 (9)F2—C4—S193.2 (19)
F1i—F2—F176.8 (16)F2A—C4—S1104.4 (11)
N1—C1—C2109.3 (5)
O2i—S1—O1—Ag169.1 (4)F1—F2—C4—F2A62.1 (6)
O2—S1—O1—Ag169.1 (4)F1i—F2—C4—S1117.9 (6)
C4—S1—O1—Ag1180.0F1—F2—C4—S1117.9 (6)
N1i—Ag1—O1—S188.10 (17)O2i—S1—C4—F1i18.4 (16)
N1—Ag1—O1—S188.10 (17)O2—S1—C4—F1i178.8 (12)
Ag1ii—Ag1—O1—S1180.0O1—S1—C4—F1i81.4 (13)
O1—Ag1—N1—C1132.7 (6)O1A—S1—C4—F1i98.6 (13)
Ag1ii—Ag1—N1—C1169.5 (4)O2i—S1—C4—F1178.8 (12)
C4—F1—F2—F1i36.6 (7)O2—S1—C4—F118.4 (16)
Ag1—N1—C1—C261.5 (6)O1—S1—C4—F181.4 (13)
Ag1—N1—C1—C1iii61.3 (7)O1A—S1—C4—F198.6 (13)
N1—C1—C2—C3178.4 (6)O2i—S1—C4—F299.8 (6)
C1iii—C1—C2—C355.3 (8)O2—S1—C4—F299.8 (6)
C1—C2—C3—C3iii56.6 (10)O1—S1—C4—F20.0
F2—F1—C4—F1i73 (2)O1A—S1—C4—F2180.0
F2—F1—C4—F2A164.6 (19)O2i—S1—C4—F2A80.2 (6)
F2—F1—C4—S189 (2)O2—S1—C4—F2A80.2 (6)
F1—F2—C4—F1i124.3 (12)O1—S1—C4—F2A180.0
F1i—F2—C4—F1124.3 (12)O1A—S1—C4—F2A0.0
F1i—F2—C4—F2A62.1 (6)
Symmetry codes: (i) x+1, y, z; (ii) x+1, y, z; (iii) x+3/2, y, z1/2.
 

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