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In the title compound, {[Ag(C3H10N2)][Ag(C7H4NO4)2]}n, one of three independent AgI atoms forms a mononuclear complex with a nearly linear environment, coordinated by two O atoms from two 4-nitro­benzoate anions. The other two Ag atoms lie on inversion centers and are coordinated in a linear configuration by two N atoms from two propane-1,3-di­amine ligands, giving zigzag polymeric chains with an [—Ag—N—C—C—C—N—]n backbone running along the [011] direction.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536804031071/ob6444sup1.cif
Contains datablocks global, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536804031071/ob6444Isup2.hkl
Contains datablock I

CCDC reference: 262222

Key indicators

  • Single-crystal X-ray study
  • T = 298 K
  • Mean [sigma](C-C) = 0.007 Å
  • R factor = 0.044
  • wR factor = 0.118
  • Data-to-parameter ratio = 12.3

checkCIF/PLATON results

No syntax errors found



Alert level C PLAT094_ALERT_2_C Ratio of Maximum / Minimum Residual Density .... 3.35 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for N1 PLAT250_ALERT_2_C Large U3/U1 Ratio for Average U(i,j) Tensor .... 2.02
0 ALERT level A = In general: serious problem 0 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 3 ALERT type 2 Indicator that the structure model may be wrong or deficient 0 ALERT type 3 Indicator that the structure quality may be low 0 ALERT type 4 Improvement, methodology, query or suggestion

Computing details top

Data collection: SMART (Bruker, 1998); cell refinement: SMART; data reduction: SAINT (Bruker, 1998); 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.

catena-Poly[[silver(I)-µ-propane-1,3-diamine-κ2N:N'] bis(4-nitrobenzoato-κO)silver(I)] top
Crystal data top
[Ag(C3H10N2)][Ag(C7H4NO4)2]Z = 2
Mr = 622.09F(000) = 612
Triclinic, P1Dx = 2.071 Mg m3
Hall symbol: -P 1Mo Kα radiation, λ = 0.71073 Å
a = 9.530 (5) ÅCell parameters from 3715 reflections
b = 9.561 (6) Åθ = 2.3–26.5°
c = 11.609 (5) ŵ = 2.02 mm1
α = 108.472 (5)°T = 298 K
β = 93.918 (6)°Block, colourless
γ = 92.673 (5)°0.32 × 0.26 × 0.18 mm
V = 998.3 (9) Å3
Data collection top
Bruker SMART CCD area-detector
diffractometer
3493 independent reflections
Radiation source: fine-focus sealed tube2999 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.021
ω scansθmax = 25.0°, θmin = 1.9°
Absorption correction: multi-scan
(SADABS; Sheldrick, 1996)
h = 1110
Tmin = 0.553, Tmax = 0.699k = 1111
5306 measured reflectionsl = 1310
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)] = 0.044Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.118H-atom parameters constrained
S = 1.07 w = 1/[σ2(Fo2) + (0.0841P)2]
where P = (Fo2 + 2Fc2)/3
3493 reflections(Δ/σ)max < 0.001
283 parametersΔρmax = 3.45 e Å3
0 restraintsΔρmin = 1.03 e Å3
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
Ag10.69262 (4)0.78451 (4)0.94922 (3)0.04570 (16)
Ag20.00001.00001.00000.04001 (17)
Ag30.50000.50001.00000.04101 (18)
N10.4868 (4)1.3292 (5)1.6375 (4)0.0471 (10)
N21.0062 (5)0.1639 (5)0.3478 (4)0.0452 (10)
N30.0462 (4)0.8229 (4)1.0705 (3)0.0369 (8)
H3A0.00120.83461.13690.044*
H3B0.01120.73751.01430.044*
N40.2878 (4)0.5072 (4)0.9275 (3)0.0374 (8)
H4A0.26780.42630.86160.045*
H4B0.22940.50070.98360.045*
O10.6288 (4)0.9274 (4)1.1106 (3)0.0438 (8)
O20.7773 (4)0.8365 (4)1.2238 (3)0.0506 (9)
O30.3923 (6)1.4070 (6)1.6248 (4)0.0857 (16)
O40.5407 (5)1.3308 (6)1.7369 (4)0.0695 (12)
O50.7371 (4)0.6517 (4)0.7726 (3)0.0541 (10)
O60.8831 (4)0.5589 (4)0.8850 (3)0.0420 (8)
O70.9545 (6)0.1712 (5)0.2505 (4)0.0689 (13)
O81.0909 (6)0.0740 (5)0.3564 (4)0.0796 (15)
C10.6850 (5)0.9213 (5)1.2117 (4)0.0346 (10)
C20.6331 (4)1.0297 (5)1.3234 (4)0.0301 (9)
C30.6865 (5)1.0345 (5)1.4395 (4)0.0335 (10)
H30.75440.97081.44800.040*
C40.6389 (5)1.1337 (5)1.5427 (4)0.0337 (10)
H40.67491.13761.62030.040*
C50.5374 (5)1.2259 (5)1.5280 (4)0.0341 (10)
C60.4811 (5)1.2243 (5)1.4145 (4)0.0401 (11)
H60.41271.28791.40700.048*
C70.5292 (5)1.1257 (5)1.3128 (4)0.0385 (10)
H70.49221.12261.23570.046*
C80.8299 (5)0.5636 (5)0.7848 (4)0.0345 (10)
C90.8752 (4)0.4598 (5)0.6697 (4)0.0278 (9)
C100.8186 (5)0.4604 (5)0.5556 (4)0.0323 (10)
H100.75140.52630.55070.039*
C110.8616 (5)0.3638 (5)0.4500 (4)0.0328 (9)
H110.82420.36380.37390.039*
C120.9619 (5)0.2671 (5)0.4602 (4)0.0317 (9)
C131.0198 (5)0.2633 (5)0.5720 (4)0.0362 (10)
H131.08630.19650.57630.043*
C140.9763 (5)0.3610 (5)0.6765 (4)0.0342 (9)
H141.01470.36110.75240.041*
C150.1959 (5)0.8056 (5)1.1044 (4)0.0404 (10)
H15A0.20080.72141.13380.048*
H15B0.23330.89311.17030.048*
C160.2869 (5)0.7829 (5)0.9971 (5)0.0428 (11)
H16A0.27650.86490.96570.051*
H16B0.38480.78731.02780.051*
C170.2549 (5)0.6393 (5)0.8914 (4)0.0397 (10)
H17A0.15600.63070.86240.048*
H17B0.31000.64230.82480.048*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Ag10.0552 (3)0.0479 (3)0.0307 (2)0.01787 (18)0.00715 (17)0.00524 (17)
Ag20.0442 (3)0.0396 (3)0.0369 (3)0.0157 (2)0.0009 (2)0.0120 (2)
Ag30.0410 (3)0.0449 (3)0.0399 (3)0.0170 (2)0.0024 (2)0.0158 (2)
N10.052 (3)0.049 (3)0.037 (2)0.013 (2)0.0098 (19)0.006 (2)
N20.055 (3)0.041 (2)0.037 (2)0.011 (2)0.009 (2)0.0061 (19)
N30.040 (2)0.041 (2)0.0298 (19)0.0093 (16)0.0044 (15)0.0094 (17)
N40.044 (2)0.0360 (19)0.0311 (19)0.0097 (16)0.0025 (16)0.0085 (16)
O10.0516 (19)0.0465 (19)0.0303 (17)0.0124 (15)0.0043 (15)0.0066 (15)
O20.057 (2)0.052 (2)0.042 (2)0.0258 (18)0.0090 (17)0.0082 (17)
O30.103 (4)0.093 (4)0.056 (3)0.064 (3)0.016 (3)0.008 (3)
O40.086 (3)0.084 (3)0.031 (2)0.025 (2)0.010 (2)0.003 (2)
O50.069 (2)0.058 (2)0.0340 (19)0.033 (2)0.0084 (17)0.0078 (17)
O60.0508 (19)0.0456 (19)0.0256 (17)0.0009 (15)0.0026 (14)0.0065 (15)
O70.100 (3)0.071 (3)0.030 (2)0.028 (2)0.007 (2)0.0045 (19)
O80.099 (3)0.077 (3)0.056 (3)0.052 (3)0.012 (2)0.004 (2)
C10.038 (2)0.030 (2)0.034 (3)0.0013 (19)0.008 (2)0.0076 (19)
C20.032 (2)0.030 (2)0.028 (2)0.0027 (17)0.0022 (17)0.0087 (18)
C30.034 (2)0.036 (2)0.031 (2)0.0068 (19)0.0008 (19)0.013 (2)
C40.039 (2)0.038 (2)0.022 (2)0.0016 (19)0.0003 (18)0.0083 (19)
C50.039 (2)0.034 (2)0.027 (2)0.0021 (19)0.0053 (18)0.0061 (19)
C60.042 (2)0.044 (3)0.035 (3)0.020 (2)0.006 (2)0.010 (2)
C70.044 (3)0.043 (3)0.028 (2)0.013 (2)0.0020 (19)0.010 (2)
C80.039 (2)0.034 (2)0.027 (2)0.0021 (19)0.0066 (19)0.0040 (19)
C90.028 (2)0.031 (2)0.025 (2)0.0005 (16)0.0000 (16)0.0101 (18)
C100.034 (2)0.034 (2)0.030 (2)0.0060 (18)0.0005 (18)0.0114 (19)
C110.036 (2)0.036 (2)0.026 (2)0.0007 (18)0.0011 (18)0.0104 (19)
C120.038 (2)0.030 (2)0.024 (2)0.0010 (18)0.0051 (18)0.0044 (18)
C130.038 (2)0.037 (2)0.034 (2)0.0143 (19)0.0021 (19)0.010 (2)
C140.041 (2)0.037 (2)0.025 (2)0.0065 (19)0.0004 (18)0.0100 (19)
C150.051 (3)0.033 (2)0.034 (2)0.007 (2)0.006 (2)0.0066 (19)
C160.035 (2)0.039 (2)0.057 (3)0.0078 (19)0.002 (2)0.019 (2)
C170.040 (2)0.050 (3)0.035 (2)0.012 (2)0.0044 (19)0.021 (2)
Geometric parameters (Å, º) top
Ag1—O12.087 (5)C3—H30.9300
Ag1—O52.124 (5)C4—C51.377 (7)
Ag2—N3i2.151 (5)C4—H40.9300
Ag2—N32.151 (5)C5—C61.383 (7)
Ag3—N4ii2.150 (6)C6—C71.379 (7)
Ag3—N42.150 (6)C6—H60.9300
N1—O31.224 (6)C7—H70.9300
N1—O41.226 (7)C8—C91.494 (7)
N1—C51.468 (7)C9—C141.395 (6)
N2—O71.225 (7)C9—C101.397 (7)
N2—O81.229 (6)C10—C111.381 (7)
N2—C121.467 (6)C10—H100.9300
N3—C151.484 (7)C11—C121.385 (7)
N3—H3A0.9000C11—H110.9300
N3—H3B0.9000C12—C131.386 (7)
N4—C171.491 (6)C13—C141.380 (7)
N4—H4A0.9000C13—H130.9300
N4—H4B0.9000C14—H140.9300
O1—C11.275 (6)C15—C161.531 (8)
O2—C11.255 (6)C15—H15A0.9700
O5—C81.281 (6)C15—H15B0.9700
O6—C81.251 (6)C16—C171.524 (7)
C1—C21.511 (7)C16—H16A0.9700
C2—C31.393 (7)C16—H16B0.9700
C2—C71.406 (7)C17—H17A0.9700
C3—C41.391 (7)C17—H17B0.9700
O1—Ag1—O5172.24 (13)C6—C7—H7119.4
N3i—Ag2—N3180.000 (1)C2—C7—H7119.4
N4ii—Ag3—N4180.000 (1)O6—C8—O5124.6 (4)
O3—N1—O4123.8 (5)O6—C8—C9119.0 (4)
O3—N1—C5118.5 (5)O5—C8—C9116.4 (4)
O4—N1—C5117.7 (4)C14—C9—C10119.5 (4)
O7—N2—O8123.8 (5)C14—C9—C8119.3 (4)
O7—N2—C12117.8 (4)C10—C9—C8121.2 (4)
O8—N2—C12118.4 (4)C11—C10—C9120.5 (4)
C15—N3—Ag2118.2 (3)C11—C10—H10119.7
C15—N3—H3A107.8C9—C10—H10119.7
Ag2—N3—H3A107.8C10—C11—C12118.4 (4)
C15—N3—H3B107.8C10—C11—H11120.8
Ag2—N3—H3B107.8C12—C11—H11120.8
H3A—N3—H3B107.1C11—C12—C13122.5 (4)
C17—N4—Ag3117.2 (3)C11—C12—N2118.2 (4)
C17—N4—H4A108.0C13—C12—N2119.3 (4)
Ag3—N4—H4A108.0C14—C13—C12118.3 (4)
C17—N4—H4B108.0C14—C13—H13120.8
Ag3—N4—H4B108.0C12—C13—H13120.8
H4A—N4—H4B107.2C13—C14—C9120.7 (4)
C1—O1—Ag1118.3 (3)C13—C14—H14119.6
C8—O5—Ag1108.3 (3)C9—C14—H14119.6
O2—C1—O1125.8 (4)N3—C15—C16112.3 (4)
O2—C1—C2119.7 (5)N3—C15—H15A109.1
O1—C1—C2114.5 (4)C16—C15—H15A109.1
C3—C2—C7118.7 (4)N3—C15—H15B109.1
C3—C2—C1120.2 (4)C16—C15—H15B109.1
C7—C2—C1121.1 (4)H15A—C15—H15B107.9
C4—C3—C2120.5 (4)C17—C16—C15116.3 (4)
C4—C3—H3119.7C17—C16—H16A108.2
C2—C3—H3119.7C15—C16—H16A108.2
C5—C4—C3118.7 (4)C17—C16—H16B108.2
C5—C4—H4120.6C15—C16—H16B108.2
C3—C4—H4120.6H16A—C16—H16B107.4
C4—C5—C6122.6 (4)N4—C17—C16112.0 (4)
C4—C5—N1118.3 (4)N4—C17—H17A109.2
C6—C5—N1119.0 (4)C16—C17—H17A109.2
C7—C6—C5118.2 (4)N4—C17—H17B109.2
C7—C6—H6120.9C16—C17—H17B109.2
C5—C6—H6120.9H17A—C17—H17B107.9
C6—C7—C2121.2 (4)
Symmetry codes: (i) x, y+2, z+2; (ii) x+1, y+1, z+2.
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
N4—H4B···O6ii0.902.133.008 (7)167
N4—H4A···O2ii0.902.393.203 (9)150
N3—H3B···O6iii0.902.143.025 (7)167
N3—H3A···O2iii0.902.403.204 (8)149
Symmetry codes: (ii) x+1, y+1, z+2; (iii) x1, y, z.
 

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