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The title compound, {[Ag(C2H8N2)](AsF6)}n, is a polymeric silver(I) complex. The AgI atom is coordinated by two N atoms from different ethyl­enedi­amine ligands, in a nearly linear geometry. The crystal structure consists of one-dimensional chains, which are stabilized by N—H...F hydrogen bonds and weak Ag...F interactions.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536803019731/cv6231sup1.cif
Contains datablocks global, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536803019731/cv6231Isup2.hkl
Contains datablock I

CCDC reference: 225672

Key indicators

  • Single-crystal X-ray study
  • T = 293 K
  • Mean [sigma](C-C) = 0.009 Å
  • R factor = 0.048
  • wR factor = 0.135
  • Data-to-parameter ratio = 15.3

checkCIF/PLATON results

No syntax errors found



Alert level A PLAT031_ALERT_4_A Refined Extinction Parameter within Range ...... 0.00 Sigma PLAT242_ALERT_2_A Check Low U(eq) as Compared to Neighbors .... As1
Alert level C PLAT029_ALERT_3_C _diffrn_measured_fraction_theta_full Low ....... 0.99 PLAT125_ALERT_4_C No _symmetry_space_group_name_Hall Given ....... ? PLAT342_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ... 9 PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 1 N1 -AG1 -N1 -C1 -135.00 5.00 7.565 1.555 1.555 1.555
Alert level G FORMU01_ALERT_1_G 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: C2 H8 Ag1 As1 F6 N2 Atom count from _chemical_formula_moiety:C2 H8 Ag1 As1 F1 N1
2 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 4 ALERT level C = Check and explain 1 ALERT level G = General alerts; check 1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 1 ALERT type 2 Indicator that the structure model may be wrong or deficient 2 ALERT type 3 Indicator that the structure quality may be low 3 ALERT type 4 Improvement, methodology, query or suggestion

Computing details top

Data collection: SMART (Siemens, 1996); cell refinement: SMART; data reduction: SAINT (Siemens, 1996); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997a); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997a); molecular graphics: SHELXTL (Sheldrick, 1997b); software used to prepare material for publication: SHELXTL.

1,2-diaminoethanesilver(I) hexafluoroarsenate top
Crystal data top
[Ag(C2H8N2)]AsF6Dx = 2.726 Mg m3
Mr = 356.89Mo Kα radiation, λ = 0.71073 Å
Orthorhombic, PnmaCell parameters from 2200 reflections
a = 10.098 (2) Åθ = 2.8–26.0°
b = 10.477 (2) ŵ = 6.14 mm1
c = 8.220 (2) ÅT = 293 K
V = 869.6 (3) Å3Block, colorless
Z = 40.34 × 0.25 × 0.16 mm
F(000) = 672
Data collection top
CCD area detector
diffractometer
949 independent reflections
Radiation source: fine-focus sealed tube793 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.033
φ and ω scansθmax = 26.5°, θmin = 3.2°
Absorption correction: multi-scan
SADABS (Sheldrick, 1996)
h = 1212
Tmin = 0.173, Tmax = 0.374k = 1310
3748 measured reflectionsl = 910
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)] = 0.048H atoms treated by a mixture of independent and constrained refinement
wR(F2) = 0.135 w = 1/[σ2(Fo2) + (0.095P)2]
where P = (Fo2 + 2Fc2)/3
S = 1.05(Δ/σ)max = 0.043
949 reflectionsΔρmax = 0.96 e Å3
62 parametersΔρmin = 0.69 e Å3
0 restraintsExtinction correction: SHELXL, Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4
Primary atom site location: structure-invariant direct methodsExtinction coefficient: 0.0000 (8)
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
Ag10.15803 (7)0.25000.09525 (9)0.0615 (4)
As10.02978 (9)0.25000.55262 (11)0.0510 (4)
F10.0808 (11)0.3564 (8)0.6174 (11)0.162 (3)
F20.1357 (7)0.3557 (9)0.4783 (14)0.178 (4)
F30.0514 (7)0.25000.3715 (9)0.129 (4)
F40.1069 (12)0.25000.7323 (13)0.182 (6)
N10.1579 (5)0.4559 (6)0.1025 (7)0.0619 (15)
H1C0.24110.48230.08240.080*
H1D0.13800.47960.20490.080*
C10.0705 (6)0.5238 (6)0.0074 (9)0.0602 (15)
H1A0.10100.51400.11730.080*
H1B0.07170.61310.01860.080*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Ag10.0560 (5)0.0618 (5)0.0666 (6)0.0000.0015 (3)0.000
As10.0558 (6)0.0487 (6)0.0486 (6)0.0000.0008 (4)0.000
F10.173 (8)0.163 (8)0.149 (6)0.067 (6)0.015 (5)0.053 (6)
F20.148 (6)0.202 (8)0.185 (7)0.121 (6)0.014 (6)0.044 (7)
F30.065 (4)0.258 (13)0.065 (4)0.0000.007 (3)0.000
F40.133 (9)0.33 (2)0.081 (6)0.0000.045 (6)0.000
N10.060 (3)0.058 (3)0.068 (4)0.007 (2)0.001 (3)0.006 (3)
C10.053 (3)0.062 (4)0.065 (4)0.006 (3)0.003 (3)0.002 (3)
Geometric parameters (Å, º) top
Ag1—N1i2.158 (6)As1—F31.700 (7)
Ag1—N12.158 (6)N1—C11.449 (8)
As1—F21.656 (6)N1—H1C0.9000
As1—F2i1.656 (6)N1—H1D0.9000
As1—F1i1.665 (7)C1—C1ii1.514 (12)
As1—F11.665 (7)C1—H1A0.9600
As1—F41.669 (9)C1—H1B0.9600
N1i—Ag1—N1176.8 (3)F1—As1—F387.5 (4)
F2—As1—F2i83.9 (8)F4—As1—F3178.9 (5)
F2—As1—F1i176.9 (5)C1—N1—Ag1118.3 (4)
F2i—As1—F1i96.0 (6)C1—N1—H1C107.6
F2—As1—F196.0 (6)Ag1—N1—H1C107.6
F2i—As1—F1176.9 (5)C1—N1—H1D108.1
F1i—As1—F184.0 (8)Ag1—N1—H1D107.6
F2—As1—F491.4 (5)H1C—N1—H1D107.2
F2i—As1—F491.4 (5)N1—C1—C1ii111.2 (7)
F1i—As1—F491.7 (5)N1—C1—H1A109.8
F1—As1—F491.7 (5)C1ii—C1—H1A110.0
F2—As1—F389.3 (4)N1—C1—H1B109.4
F2i—As1—F389.3 (4)C1ii—C1—H1B108.3
F1i—As1—F387.5 (4)H1A—C1—H1B108.1
N1i—Ag1—N1—C1135 (5)Ag1—N1—C1—C1ii52.7 (8)
Symmetry codes: (i) x, y+1/2, z; (ii) x, y+1, z.
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
N1—H1C···F2iii0.902.273.047 (9)144
N1—H1D···F1iv0.902.333.126 (9)148
N1—H1D···F20.902.603.270 (12)132
Symmetry codes: (iii) x+1/2, y+1, z1/2; (iv) x, y+1, z+1.
 

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