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The title compound, {[Ag(C4H12N2)](AsF6)}n, is a helical one-dimensional chain AgI complex. The AgI atom is coordinated by two N atoms from two 1,4-di­amino­butane ligands, in a nearly linear geometry. The crystal structure is a three-dimensional structure stabilized by N—H...F hydrogen bonds and weak Ag...F interactions.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536803023298/ww6121sup1.cif
Contains datablocks global, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536803023298/ww6121Isup2.hkl
Contains datablock I

CCDC reference: 226666

Key indicators

  • Single-crystal X-ray study
  • T = 293 K
  • Mean [sigma](C-C) = 0.009 Å
  • R factor = 0.042
  • wR factor = 0.117
  • Data-to-parameter ratio = 15.0

checkCIF/PLATON results

No syntax errors found



Alert level A PLAT029_ALERT_3_A _diffrn_measured_fraction_theta_full Low ....... 0.94 PLAT242_ALERT_2_A Check Low U(eq) as Compared to Neighbors .... As1
Alert level C WEIGH01_ALERT_1_C Extra text has been found in the _refine_ls_weighting_scheme field. This should be in the _refine_ls_weighting_details field. Weighting scheme given as calc w = 1/[\s^2^(Fo^2^)+(0.0714P)^2^+0.904P Weighting scheme identified as calc PLAT062_ALERT_4_C Rescale T(min) & T(max) by ..................... 0.97 PLAT213_ALERT_2_C Atom F2 has ADP max/min Ratio ............. 3.40 prolat PLAT213_ALERT_2_C Atom F3 has ADP max/min Ratio ............. 3.10 prolat PLAT250_ALERT_2_C Large U3/U1 ratio for average U(i,j) tensor .... 3.12 PLAT342_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ... 9 PLAT420_ALERT_2_C D-H Without Acceptor N1 - H1D ... ? PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 1 N2 -AG1 -N1 -C1 -140.00 6.00 4.676 1.555 1.555 1.555
2 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 8 ALERT level C = Check and explain 0 ALERT level G = General alerts; check 1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 5 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 2 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, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: SHELXTL (Sheldrick, 1997); software used to prepare material for publication: SHELXTL.

catena-Poly[[silver(I)-µ-1,4-diaminobutane-κ2N:N'] hexafluoroarsenate] top
Crystal data top
[Ag(C4H12N2)](AsF6)F(000) = 736
Mr = 384.95Dx = 2.480 Mg m3
Monoclinic, P21/nMo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ynCell parameters from 4450 reflections
a = 7.806 (2) Åθ = 2.8–25.4°
b = 10.371 (2) ŵ = 5.19 mm1
c = 13.234 (3) ÅT = 293 K
β = 105.74 (3)°Block, colorless
V = 1031.2 (4) Å30.38 × 0.32 × 0.20 mm
Z = 4
Data collection top
Siemens SMART CCD area-detector
diffractometer
2025 independent reflections
Radiation source: fine-focus sealed tube1757 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.030
φ and ω scansθmax = 26.0°, θmin = 2.5°
Absorption correction: multi-scan
(SADABS; Sheldrick, 1996)
h = 99
Tmin = 0.155, Tmax = 0.366k = 128
4479 measured reflectionsl = 1416
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)] = 0.042Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.117H atoms treated by a mixture of independent and constrained refinement
S = 1.08Calculated w = 1/[σ2(Fo2) + (0.0714P)2 + 0.904P]
where P = (Fo2 + 2Fc2)/3
2025 reflections(Δ/σ)max = 0.001
135 parametersΔρmax = 1.22 e Å3
0 restraintsΔρmin = 0.90 e Å3
Special details top

Experimental. C, H and N elemental analyses were performed on a Perkin-Elmer elemental analyzer.

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
Ag10.02673 (6)0.81308 (4)0.63370 (3)0.03993 (19)
As10.24632 (7)0.84928 (6)0.37684 (4)0.0340 (2)
F10.1244 (9)0.7787 (9)0.2684 (5)0.150 (4)
F20.3581 (11)0.9251 (11)0.4843 (5)0.204 (6)
F30.2474 (8)0.7193 (6)0.4514 (6)0.140 (3)
F40.4356 (7)0.8061 (6)0.3488 (5)0.115 (3)
F50.2458 (8)0.9844 (5)0.3057 (5)0.104 (2)
F60.0522 (6)0.8927 (5)0.4040 (5)0.0861 (16)
N10.2426 (6)0.7491 (5)0.5761 (4)0.0413 (11)
H1C0.28780.74350.63170.050*
H1D0.30300.81210.53460.050*
H2C0.133 (10)0.685 (7)0.230 (6)0.06 (2)*
N20.2065 (7)0.6210 (6)0.1961 (5)0.0469 (13)
H2D0.170 (9)0.604 (7)0.146 (6)0.045 (19)*
C10.2850 (8)0.6274 (6)0.5174 (5)0.0395 (13)
H1A0.41160.61720.49160.080*
H1B0.23890.55640.56320.080*
C20.2020 (7)0.6269 (6)0.4253 (5)0.0379 (12)
H2A0.07500.62110.45180.080*
H2B0.22970.70670.38760.080*
C30.2694 (8)0.5163 (6)0.3505 (5)0.0412 (13)
H3A0.39520.52610.32030.080*
H3B0.25050.43730.38980.080*
C40.1794 (8)0.5072 (7)0.2640 (5)0.0475 (15)
H4A0.05410.49500.29430.080*
H4B0.22390.43270.22190.080*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Ag10.0423 (3)0.0427 (3)0.0325 (3)0.00143 (17)0.0064 (2)0.00528 (17)
As10.0327 (3)0.0383 (4)0.0307 (3)0.0002 (2)0.0083 (2)0.0040 (2)
F10.144 (6)0.232 (9)0.093 (5)0.111 (6)0.062 (4)0.103 (6)
F20.201 (8)0.360 (14)0.066 (4)0.208 (9)0.060 (5)0.083 (6)
F30.123 (5)0.121 (5)0.223 (8)0.069 (4)0.125 (6)0.125 (6)
F40.071 (3)0.141 (6)0.160 (6)0.063 (3)0.079 (4)0.098 (5)
F50.118 (4)0.073 (3)0.154 (6)0.027 (3)0.092 (4)0.057 (3)
F60.074 (3)0.087 (3)0.120 (4)0.035 (3)0.064 (3)0.041 (3)
N10.041 (3)0.046 (3)0.037 (3)0.003 (2)0.010 (2)0.005 (2)
N20.041 (3)0.066 (4)0.034 (3)0.002 (3)0.010 (2)0.003 (3)
C10.037 (3)0.041 (3)0.037 (3)0.001 (2)0.006 (2)0.000 (3)
C20.031 (3)0.041 (3)0.042 (3)0.003 (2)0.010 (2)0.002 (3)
C30.046 (3)0.040 (3)0.033 (3)0.002 (2)0.003 (2)0.003 (2)
C40.049 (3)0.051 (4)0.040 (3)0.008 (3)0.007 (3)0.007 (3)
Geometric parameters (Å, º) top
Ag1—N2i2.134 (6)N2—H2C0.91 (8)
Ag1—N12.138 (5)N2—H2D0.81 (7)
As1—F21.652 (6)C1—C21.527 (8)
As1—F11.662 (5)C1—H1A0.9600
As1—F31.669 (5)C1—H1B0.9600
As1—F41.679 (4)C2—C31.513 (8)
As1—F51.687 (5)C2—H2A0.9600
As1—F61.710 (4)C2—H2B0.9600
N1—C11.472 (8)C3—C41.500 (9)
N1—H1C0.9000C3—H3A0.9600
N1—H1D0.9000C3—H3B0.9600
N2—C41.463 (9)C4—H4A0.9600
N2—Ag1ii2.134 (6)C4—H4B0.9600
N2i—Ag1—N1178.0 (2)Ag1ii—N2—H2D106 (5)
F2—As1—F1176.8 (5)H2C—N2—H2D104 (7)
F2—As1—F387.7 (5)N1—C1—C2109.9 (5)
F1—As1—F393.7 (5)N1—C1—H1A110.2
F2—As1—F491.5 (4)C2—C1—H1A109.6
F1—As1—F491.4 (4)N1—C1—H1B109.4
F3—As1—F493.0 (2)C2—C1—H1B109.6
F2—As1—F590.3 (5)H1A—C1—H1B108.2
F1—As1—F588.3 (4)C3—C2—C1112.2 (5)
F3—As1—F5177.7 (4)C3—C2—H2A109.4
F4—As1—F588.1 (2)C1—C2—H2A109.2
F2—As1—F689.1 (4)C3—C2—H2B108.9
F1—As1—F688.0 (3)C1—C2—H2B109.1
F3—As1—F687.2 (2)H2A—C2—H2B108.0
F4—As1—F6179.3 (3)C4—C3—C2113.3 (5)
F5—As1—F691.7 (2)C4—C3—H3A109.1
C1—N1—Ag1120.8 (4)C2—C3—H3A109.1
C1—N1—H1C107.1C4—C3—H3B108.9
Ag1—N1—H1C107.1C2—C3—H3B108.5
C1—N1—H1D107.1H3A—C3—H3B107.8
Ag1—N1—H1D107.1N2—C4—C3113.5 (5)
H1C—N1—H1D106.8N2—C4—H4A108.9
C4—N2—Ag1ii117.3 (4)C3—C4—H4A108.9
C4—N2—H2C109 (5)N2—C4—H4B108.9
Ag1ii—N2—H2C112 (5)C3—C4—H4B108.8
C4—N2—H2D108 (5)H4A—C4—H4B107.7
N2i—Ag1—N1—C1140 (6)C1—C2—C3—C4175.4 (5)
Ag1—N1—C1—C253.7 (6)Ag1ii—N2—C4—C350.6 (7)
N1—C1—C2—C3169.2 (5)C2—C3—C4—N261.6 (7)
Symmetry codes: (i) x+1/2, y+3/2, z+1/2; (ii) x1/2, y+3/2, z1/2.
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
N2—H2C···F10.91 (8)2.17 (8)2.987 (8)150 (7)
N1—H1C···F1iii0.902.113.012 (7)175
N2—H2D···F2ii0.81 (7)2.23 (7)3.018 (8)165 (6)
Symmetry codes: (ii) x1/2, y+3/2, z1/2; (iii) x1/2, y+3/2, z+1/2.
 

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