catena-Poly[[silver(I)-μ-1,2-di­amino­ethane] hexa­fluoro­arsenate]

The title compound, {[Ag(C₂H₈N₂)](AsF₆)}_n, is a polymeric silver(I) complex. The Ag^I 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.

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

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Computing details

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

Crystal data

[Ag(C2H8N2)]AsF6	Dx = 2.726 Mg m^−3
Mr = 356.89	Mo Kα radiation, λ = 0.71073 Å
Orthorhombic, Pnma	Cell parameters from 2200 reflections
a = 10.098 (2) Å	θ = 2.8–26.0°
b = 10.477 (2) Å	µ = 6.14 mm^−1
c = 8.220 (2) Å	T = 293 K
V = 869.6 (3) Å^3	Block, colorless
Z = 4	0.34 × 0.25 × 0.16 mm
F(000) = 672

Data collection

CCD area detector diffractometer	949 independent reflections
Radiation source: fine-focus sealed tube	793 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.033
φ and ω scans	θmax = 26.5°, θmin = 3.2°
Absorption correction: multi-scan SADABS (Sheldrick, 1996)	h = −12→12
Tmin = 0.173, Tmax = 0.374	k = −13→10
3748 measured reflections	l = −9→10

Refinement

Refinement on F^2	Secondary atom site location: difference Fourier map
Least-squares matrix: full	Hydrogen site location: inferred from neighbouring sites
R[F^2 > 2σ(F^2)] = 0.048	H atoms treated by a mixture of independent and constrained refinement
wR(F^2) = 0.135	w = 1/[σ^2(Fo^2) + (0.095P)^2] where P = (Fo^2 + 2Fc^2)/3
S = 1.05	(Δ/σ)max = 0.043
949 reflections	Δρmax = 0.96 e Å^−3
62 parameters	Δρmin = −0.69 e Å^−3
0 restraints	Extinction correction: SHELXL, Fc^*=kFc[1+0.001xFc^2λ^3/sin(2θ)]^-1/4
Primary atom site location: structure-invariant direct methods	Extinction coefficient: 0.0000 (8)

Special details

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 (Ų)

	x	y	z	Uiso*/Ueq
Ag1	0.15803 (7)	0.2500	0.09525 (9)	0.0615 (4)
As1	0.02978 (9)	0.2500	0.55262 (11)	0.0510 (4)
F1	−0.0808 (11)	0.3564 (8)	0.6174 (11)	0.162 (3)
F2	0.1357 (7)	0.3557 (9)	0.4783 (14)	0.178 (4)
F3	−0.0514 (7)	0.2500	0.3715 (9)	0.129 (4)
F4	0.1069 (12)	0.2500	0.7323 (13)	0.182 (6)
N1	0.1579 (5)	0.4559 (6)	0.1025 (7)	0.0619 (15)
H1C	0.2411	0.4823	0.0824	0.080*
H1D	0.1380	0.4796	0.2049	0.080*
C1	0.0705 (6)	0.5238 (6)	−0.0074 (9)	0.0602 (15)
H1A	0.1010	0.5140	−0.1173	0.080*
H1B	0.0717	0.6131	0.0186	0.080*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Ag1	0.0560 (5)	0.0618 (5)	0.0666 (6)	0.000	0.0015 (3)	0.000
As1	0.0558 (6)	0.0487 (6)	0.0486 (6)	0.000	−0.0008 (4)	0.000
F1	0.173 (8)	0.163 (8)	0.149 (6)	0.067 (6)	0.015 (5)	−0.053 (6)
F2	0.148 (6)	0.202 (8)	0.185 (7)	−0.121 (6)	−0.014 (6)	0.044 (7)
F3	0.065 (4)	0.258 (13)	0.065 (4)	0.000	−0.007 (3)	0.000
F4	0.133 (9)	0.33 (2)	0.081 (6)	0.000	−0.045 (6)	0.000
N1	0.060 (3)	0.058 (3)	0.068 (4)	−0.007 (2)	−0.001 (3)	−0.006 (3)
C1	0.053 (3)	0.062 (4)	0.065 (4)	−0.006 (3)	0.003 (3)	−0.002 (3)

Geometric parameters (Å, º)

Ag1—N1^i	2.158 (6)	As1—F3	1.700 (7)
Ag1—N1	2.158 (6)	N1—C1	1.449 (8)
As1—F2	1.656 (6)	N1—H1C	0.9000
As1—F2^i	1.656 (6)	N1—H1D	0.9000
As1—F1^i	1.665 (7)	C1—C1^ii	1.514 (12)
As1—F1	1.665 (7)	C1—H1A	0.9600
As1—F4	1.669 (9)	C1—H1B	0.9600
N1^i—Ag1—N1	176.8 (3)	F1—As1—F3	87.5 (4)
F2—As1—F2^i	83.9 (8)	F4—As1—F3	178.9 (5)
F2—As1—F1^i	176.9 (5)	C1—N1—Ag1	118.3 (4)
F2^i—As1—F1^i	96.0 (6)	C1—N1—H1C	107.6
F2—As1—F1	96.0 (6)	Ag1—N1—H1C	107.6
F2^i—As1—F1	176.9 (5)	C1—N1—H1D	108.1
F1^i—As1—F1	84.0 (8)	Ag1—N1—H1D	107.6
F2—As1—F4	91.4 (5)	H1C—N1—H1D	107.2
F2^i—As1—F4	91.4 (5)	N1—C1—C1^ii	111.2 (7)
F1^i—As1—F4	91.7 (5)	N1—C1—H1A	109.8
F1—As1—F4	91.7 (5)	C1^ii—C1—H1A	110.0
F2—As1—F3	89.3 (4)	N1—C1—H1B	109.4
F2^i—As1—F3	89.3 (4)	C1^ii—C1—H1B	108.3
F1^i—As1—F3	87.5 (4)	H1A—C1—H1B	108.1
N1^i—Ag1—N1—C1	−135 (5)	Ag1—N1—C1—C1^ii	52.7 (8)

Symmetry codes: (i) x, −y+1/2, z; (ii) −x, −y+1, −z.

Hydrogen-bond geometry (Å, º)

D—H···A	D—H	H···A	D···A	D—H···A
N1—H1C···F2^iii	0.90	2.27	3.047 (9)	144
N1—H1D···F1^iv	0.90	2.33	3.126 (9)	148
N1—H1D···F2	0.90	2.60	3.270 (12)	132

Symmetry codes: (iii) −x+1/2, −y+1, z−1/2; (iv) −x, −y+1, −z+1.