catena-Poly[silver(I)-μ₃-5-phenyl-1,2,3,4-tetra­zolato-κ³N¹:N²:N³]

The 5-phenyl­tetra­zolate anion in the title compound, [Ag(C₇H₅N₄)]_n, uses three of its four N atoms to link silver cations into a linear ribbon structure; the Ag atom shows a trigonal planar coordination.

Key indicators

• Single-crystal X-ray study
• T = 294 K
• Mean [sigma](C-C) = 0.007 Å
• R factor = 0.036
• wR factor = 0.092
• Data-to-parameter ratio = 13.4

checkCIF/PLATON results

No syntax errors found



Alert level B
PLAT061_ALERT_3_B Tmax/Tmin Range Test RR' too Large .............       0.75

Alert level C
ABSTM02_ALERT_3_C  The ratio of expected to reported Tmax/Tmin(RR') is < 0.90
            Tmin and Tmax reported:      0.446     0.774
            Tmin(prime) and Tmax expected:      0.574     0.764
            RR(prime) =      0.766
            Please check that your absorption correction is appropriate.
PLAT062_ALERT_4_C Rescale T(min) & T(max) by .....................       0.99
PLAT250_ALERT_2_C Large U3/U1 Ratio for Average U(i,j) Tensor ....       2.27

   0 ALERT level A = In general: serious problem
   1 ALERT level B = Potentially serious problem
   3 ALERT level C = Check and explain
   0 ALERT level G = General alerts; check

   0 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
   1 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check

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Computing details

Data collection: SMART (Bruker, 1998); cell refinement: SAINT (Bruker, 1998); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: X-SEED (Barbour, 2001); software used to prepare material for publication: publCIF (Westrip, 2006).

catena-Poly[silver(I)-µ₃-5-phenyl-1,2,3,4-tetrazolato-κ³N¹:N²:N³]

Crystal data

[Ag(C7H5N4)]	F(000) = 488
Mr = 253.02	Dx = 2.303 Mg m^−3
Monoclinic, P21/c	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ybc	Cell parameters from 1797 reflections
a = 10.433 (2) Å	θ = 3.5–26.4°
b = 6.275 (1) Å	µ = 2.70 mm^−1
c = 11.894 (2) Å	T = 294 K
β = 110.388 (2)°	Block, colorless
V = 729.9 (2) Å^3	0.20 × 0.18 × 0.10 mm
Z = 4

Data collection

Bruker SMART 1K area-detector diffractometer	1459 independent reflections
Radiation source: fine-focus sealed tube	1138 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.047
φ and ω scans	θmax = 26.4°, θmin = 3.5°
Absorption correction: multi-scan (SADABS; Sheldrick, 1996)	h = −12→12
Tmin = 0.446, Tmax = 0.774	k = −6→7
3709 measured reflections	l = −8→14

Refinement

Refinement on F^2	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F^2 > 2σ(F^2)] = 0.036	Hydrogen site location: inferred from neighbouring sites
wR(F^2) = 0.092	H-atom parameters constrained
S = 0.98	w = 1/[σ^2(Fo^2) + (0.0544P)^2] where P = (Fo^2 + 2Fc^2)/3
1459 reflections	(Δ/σ)max = 0.001
109 parameters	Δρmax = 1.16 e Å^−3
0 restraints	Δρmin = −1.37 e Å^−3

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq
Ag1	0.45223 (4)	0.64448 (5)	0.65057 (3)	0.0374 (2)
N1	0.3817 (3)	0.9693 (5)	0.5734 (3)	0.0216 (8)
N2	0.4378 (3)	1.1403 (5)	0.6450 (3)	0.0236 (8)
N3	0.4137 (4)	1.3089 (5)	0.5785 (3)	0.0275 (8)
N4	0.3444 (4)	1.2630 (6)	0.4645 (3)	0.0282 (8)
C1	0.3250 (4)	1.0513 (6)	0.4628 (4)	0.020 (1)
C2	0.2462 (4)	0.9371 (7)	0.3531 (4)	0.024 (1)
C3	0.2160 (4)	1.0412 (7)	0.2432 (4)	0.028 (1)
C4	0.1412 (5)	0.9424 (9)	0.1389 (4)	0.037 (1)
C5	0.0955 (5)	0.7372 (9)	0.1409 (5)	0.041 (1)
C6	0.1239 (5)	0.6325 (7)	0.2481 (5)	0.040 (1)
C7	0.2004 (4)	0.7296 (7)	0.3545 (4)	0.031 (1)
H3	0.2472	1.1795	0.2411	0.033*
H4	0.1211	1.0138	0.0663	0.045*
H5	0.0452	0.6696	0.0696	0.049*
H6	0.0913	0.4948	0.2491	0.048*
H7	0.2211	0.6564	0.4266	0.037*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Ag1	0.0623 (3)	0.0126 (2)	0.0260 (2)	−0.0028 (2)	0.0010 (2)	0.0003 (1)
N1	0.031 (2)	0.009 (2)	0.024 (2)	0.001 (1)	0.009 (2)	−0.001 (1)
N2	0.032 (2)	0.010 (2)	0.023 (2)	0.004 (1)	0.003 (2)	0.002 (1)
N3	0.042 (2)	0.011 (2)	0.024 (2)	−0.001 (1)	0.003 (2)	0.001 (2)
N4	0.041 (2)	0.013 (2)	0.023 (2)	−0.003 (2)	0.001 (2)	0.002 (2)
C1	0.022 (2)	0.012 (2)	0.022 (2)	0.002 (2)	0.005 (2)	0.001 (2)
C2	0.022 (2)	0.019 (2)	0.027 (2)	0.003 (2)	0.005 (2)	−0.001 (2)
C3	0.032 (2)	0.025 (2)	0.024 (2)	0.002 (2)	0.008 (2)	0.003 (2)
C4	0.041 (3)	0.042 (3)	0.025 (2)	0.002 (2)	0.006 (2)	−0.001 (2)
C5	0.039 (3)	0.043 (3)	0.032 (3)	−0.003 (2)	0.000 (2)	−0.015 (2)
C6	0.045 (3)	0.023 (2)	0.043 (3)	−0.008 (2)	0.004 (2)	−0.011 (2)
C7	0.040 (3)	0.020 (2)	0.032 (3)	−0.004 (2)	0.011 (2)	−0.002 (2)

Geometric parameters (Å, º)

Ag1—N1	2.251 (3)	C2—C3	1.396 (6)
Ag1—N2^i	2.299 (3)	C3—C4	1.362 (6)
Ag1—N3^ii	2.256 (3)	C4—C5	1.376 (7)
N1—C1	1.343 (5)	C5—C6	1.371 (8)
N1—N2	1.368 (4)	C6—C7	1.380 (7)
N2—N3	1.292 (5)	C3—H3	0.93
N3—N4	1.327 (5)	C4—H4	0.93
N4—C1	1.342 (5)	C5—H5	0.93
C1—C2	1.464 (6)	C6—H6	0.93
C2—C7	1.389 (6)	C7—H7	0.93
N1—Ag1—N2^i	114.4 (1)	C7—C2—C1	122.5 (4)
N1—Ag1—N3^ii	134.5 (1)	C3—C2—C1	118.6 (4)
N2^i—Ag1—N3^ii	110.4 (1)	C4—C3—C2	120.7 (5)
C1—N1—N2	104.9 (3)	C3—C4—C5	120.1 (5)
C1—N1—Ag1	135.7 (3)	C6—C5—C4	120.0 (4)
N2—N1—Ag1	116.6 (2)	C5—C6—C7	120.6 (4)
N3—N2—N1	108.1 (3)	C6—C7—C2	119.7 (4)
N3—N2—Ag1^iii	123.8 (3)	C4—C3—H3	119.7
N1—N2—Ag1^iii	128.0 (2)	C2—C3—H3	119.7
N2—N3—N4	111.6 (3)	C3—C4—H4	119.9
N2—N3—Ag1^iv	124.1 (3)	C5—C4—H4	119.9
N4—N3—Ag1^iv	123.5 (3)	C6—C5—H5	120.0
N3—N4—C1	104.8 (3)	C4—C5—H5	120.0
N4—C1—N1	110.5 (3)	C5—C6—H6	119.7
N4—C1—C2	122.2 (4)	C7—C6—H6	119.7
N1—C1—C2	127.2 (4)	C6—C7—H7	120.2
C7—C2—C3	118.9 (4)	C2—C7—H7	120.2
N3^ii—Ag1—N1—C1	−17.2 (5)	N2—N1—C1—N4	0.0 (5)
N2^i—Ag1—N1—C1	173.8 (4)	Ag1—N1—C1—N4	−159.4 (3)
N3^ii—Ag1—N1—N2	−175.0 (2)	N2—N1—C1—C2	−177.2 (4)
N2^i—Ag1—N1—N2	16.1 (4)	Ag1—N1—C1—C2	23.4 (6)
C1—N1—N2—N3	0.2 (4)	N4—C1—C2—C7	−165.6 (4)
Ag1—N1—N2—N3	164.3 (3)	N1—C1—C2—C7	11.3 (6)
C1—N1—N2—Ag1^iii	177.3 (3)	N4—C1—C2—C3	14.2 (6)
Ag1—N1—N2—Ag1^iii	−18.6 (4)	N1—C1—C2—C3	−168.9 (4)
N1—N2—N3—N4	−0.4 (5)	C7—C2—C3—C4	0.9 (7)
Ag1^iii—N2—N3—N4	−177.6 (3)	C1—C2—C3—C4	−179.0 (4)
N1—N2—N3—Ag1^iv	170.0 (2)	C2—C3—C4—C5	−0.5 (7)
Ag1^iii—N2—N3—Ag1^iv	−7.2 (5)	C3—C4—C5—C6	0.7 (7)
N2—N3—N4—C1	0.4 (5)	C4—C5—C6—C7	−1.2 (8)
Ag1^iv—N3—N4—C1	−170.1 (3)	C5—C6—C7—C2	1.5 (8)
N3—N4—C1—N1	−0.2 (5)	C3—C2—C7—C6	−1.4 (6)
N3—N4—C1—C2	177.1 (4)	C1—C2—C7—C6	178.5 (4)

Symmetry codes: (i) −x+1, y−1/2, −z+3/2; (ii) x, y−1, z; (iii) −x+1, y+1/2, −z+3/2; (iv) x, y+1, z.