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The AgI atom in the title compound, [Ag(C5H6N2)2]2(C8H4O4)·10H2O, shows linear coordination. The cation and centrosymmetric anion inter­act indirectly via the non-coordinated water mol­ecules, to furnish a tightly held three-dimensional structure.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S160053680503597X/hb6298sup1.cif
Contains datablocks global, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S160053680503597X/hb6298Isup2.hkl
Contains datablock I

CCDC reference: 293904

Key indicators

  • Single-crystal X-ray study
  • T = 295 K
  • Mean [sigma](C-C) = 0.004 Å
  • R factor = 0.032
  • wR factor = 0.109
  • Data-to-parameter ratio = 14.7

checkCIF/PLATON results

No syntax errors found



Alert level C ABSTM02_ALERT_3_C The ratio of expected to reported Tmax/Tmin(RR') is < 0.90 Tmin and Tmax reported: 0.625 0.814 Tmin(prime) and Tmax expected: 0.720 0.806 RR(prime) = 0.860 Please check that your absorption correction is appropriate. PLAT029_ALERT_3_C _diffrn_measured_fraction_theta_full Low ....... 0.96 PLAT041_ALERT_1_C Calc. and Rep. SumFormula Strings Differ .... ? PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ .... ? PLAT045_ALERT_1_C Calculated and Reported Z Differ by ............ 2.00 Ratio PLAT061_ALERT_3_C Tmax/Tmin Range Test RR' too Large ............. 0.86 PLAT250_ALERT_2_C Large U3/U1 Ratio for Average U(i,j) Tensor .... 2.18 PLAT720_ALERT_4_C Number of Unusual/Non-Standard Label(s) ........ 14 PLAT731_ALERT_1_C Bond Calc 0.85(3), Rep 0.850(10) ...... 3.00 su-Rat O1W -H1W2 1.555 1.555 PLAT731_ALERT_1_C Bond Calc 0.85(3), Rep 0.840(10) ...... 3.00 su-Rat O4W -H4W2 1.555 1.555 PLAT731_ALERT_1_C Bond Calc 0.85(3), Rep 0.850(10) ...... 3.00 su-Rat N2 -H2N1 1.555 1.555 PLAT731_ALERT_1_C Bond Calc 0.85(3), Rep 0.850(10) ...... 3.00 su-Rat N2 -H2N2 1.555 1.555 PLAT731_ALERT_1_C Bond Calc 0.86(4), Rep 0.860(10) ...... 4.00 su-Rat N4 -H4N1 1.555 1.555 PLAT731_ALERT_1_C Bond Calc 0.84(4), Rep 0.840(10) ...... 4.00 su-Rat N4 -H4N2 1.555 1.555 PLAT735_ALERT_1_C D-H Calc 0.85(3), Rep 0.850(10) ...... 3.00 su-Rat N2 -H1# 1.555 1.555 PLAT735_ALERT_1_C D-H Calc 0.85(3), Rep 0.850(10) ...... 3.00 su-Rat N2 -H2# 1.555 1.555 PLAT735_ALERT_1_C D-H Calc 0.86(4), Rep 0.860(10) ...... 4.00 su-Rat N4 -H3# 1.555 1.555 PLAT735_ALERT_1_C D-H Calc 0.84(4), Rep 0.840(10) ...... 4.00 su-Rat N4 -H4# 1.555 1.555 PLAT735_ALERT_1_C D-H Calc 0.85(3), Rep 0.850(10) ...... 3.00 su-Rat O1W -H6# 1.555 1.555 PLAT735_ALERT_1_C D-H Calc 0.85(3), Rep 0.840(10) ...... 3.00 su-Rat O4W -H12# 1.555 1.555 PLAT736_ALERT_1_C H...A Calc 2.21(4), Rep 2.210(10) ...... 4.00 su-Rat H1# -O1W 1.555 1.555 PLAT736_ALERT_1_C H...A Calc 2.22(3), Rep 2.220(10) ...... 3.00 su-Rat H2# -O5W 1.555 2.567 PLAT736_ALERT_1_C H...A Calc 2.03(3), Rep 2.040(10) ...... 3.00 su-Rat H6# -O3W 1.555 1.565 PLAT736_ALERT_1_C H...A Calc 1.92(3), Rep 1.920(10) ...... 3.00 su-Rat H12# -O3W 1.555 1.555 PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd. # 4 H2 O
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 25 ALERT level C = Check and explain 0 ALERT level G = General alerts; check 19 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 3 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 (Bruker, 2003); cell refinement: SAINT (Bruker, 2003); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ORTEPII (Johnson, 1976); software used to prepare material for publication: SHELXL97.

Bis[bis(4-aminopyridine-κN1)silver(I)] terephthalate decahydrate top
Crystal data top
[Ag(C5H6N2)2]2(C8H4O4)·10H2OZ = 1
Mr = 936.48F(000) = 478
Triclinic, P1Dx = 1.596 Mg m3
Hall symbol: -P 1Mo Kα radiation, λ = 0.71073 Å
a = 9.1463 (5) ÅCell parameters from 3817 reflections
b = 10.7369 (6) Åθ = 2.4–28.1°
c = 10.9623 (7) ŵ = 1.08 mm1
α = 113.685 (1)°T = 295 K
β = 93.418 (1)°Block, colorless
γ = 95.906 (1)°0.30 × 0.20 × 0.20 mm
V = 974.6 (1) Å3
Data collection top
Bruker SMART APEX area-detector
diffractometer
4294 independent reflections
Radiation source: fine-focus sealed tube3955 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.018
φ and ω scansθmax = 27.5°, θmin = 2.0°
Absorption correction: multi-scan
(SADABS; Sheldrick, 1996)
h = 119
Tmin = 0.625, Tmax = 0.814k = 1312
6098 measured reflectionsl = 1412
Refinement top
Refinement on F2Secondary atom site location: difference Fourier map
Least-squares matrix: fullHydrogen site location: difmap and geom
R[F2 > 2σ(F2)] = 0.032H atoms treated by a mixture of independent and constrained refinement
wR(F2) = 0.109 w = 1/[σ2(Fo2) + (0.0673P)2 + 0.0987P]
where P = (Fo2 + 2Fc2)/3
S = 1.12(Δ/σ)max = 0.001
4294 reflectionsΔρmax = 0.49 e Å3
292 parametersΔρmin = 0.45 e Å3
14 restraintsExtinction correction: SHELXL97, Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4
Primary atom site location: structure-invariant direct methodsExtinction coefficient: 0.029 (2)
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
Ag10.46403 (2)0.27141 (2)0.29765 (2)0.0542 (2)
O10.4018 (2)0.1967 (2)0.6807 (2)0.0403 (4)
O20.6429 (2)0.2177 (2)0.7348 (2)0.0488 (4)
O1w0.0688 (2)0.9168 (2)0.6409 (2)0.0541 (5)
O2w0.3595 (2)0.9397 (2)0.5970 (2)0.0488 (4)
O3w0.1013 (2)0.1597 (2)0.6471 (2)0.0492 (4)
O4w0.0697 (2)0.3280 (2)0.8240 (2)0.0523 (5)
O5w0.0195 (3)0.3774 (2)1.0951 (2)0.0599 (5)
N10.3337 (2)0.4140 (2)0.4203 (2)0.0426 (5)
N20.0754 (3)0.6860 (2)0.6698 (2)0.0464 (5)
N30.6027 (2)0.1426 (2)0.1700 (2)0.0438 (5)
N40.8458 (4)0.1277 (3)0.1000 (3)0.0610 (7)
C10.2889 (3)0.5175 (3)0.3944 (3)0.0494 (6)
C20.2066 (3)0.6110 (3)0.4741 (3)0.0462 (6)
C30.1600 (3)0.6010 (2)0.5900 (2)0.0370 (5)
C40.2110 (3)0.4955 (3)0.6189 (3)0.0441 (5)
C50.2939 (3)0.4088 (3)0.5351 (3)0.0461 (6)
C60.6447 (3)0.0340 (3)0.1874 (3)0.0477 (6)
C70.7274 (3)0.0549 (3)0.1032 (3)0.0456 (6)
C80.7721 (3)0.0383 (3)0.0102 (2)0.0410 (5)
C90.7307 (3)0.0775 (3)0.0257 (3)0.0470 (6)
C100.6476 (3)0.1616 (3)0.0638 (3)0.0467 (6)
C110.5192 (2)0.2567 (2)0.7570 (2)0.0307 (4)
C120.5092 (2)0.3836 (2)0.8828 (2)0.0299 (4)
C130.3742 (2)0.4279 (2)0.9156 (2)0.0393 (5)
C140.3652 (3)0.5438 (2)1.0315 (2)0.0416 (5)
H10.31580.52590.31730.059*
H20.18140.68140.45160.055*
H40.18750.48540.69610.053*
H50.32570.34070.55800.055*
H60.61600.01880.26080.057*
H70.75450.12750.12110.055*
H90.75980.09690.09670.056*
H100.62080.23660.05000.056*
H130.28850.37960.85940.047*
H140.27370.57281.05160.050*
H2n10.045 (4)0.749 (3)0.651 (3)0.05 (1)*
H2n20.049 (3)0.673 (4)0.737 (2)0.05 (1)*
H4n10.864 (5)0.195 (3)0.081 (5)0.09 (1)*
H4n20.882 (4)0.096 (4)0.152 (4)0.08 (1)*
H1w10.158 (2)0.925 (3)0.626 (3)0.05 (1)*
H1w20.013 (3)0.990 (2)0.653 (4)0.07 (1)*
H2w10.384 (4)0.909 (3)0.513 (1)0.07 (1)*
H2w20.358 (3)1.025 (1)0.626 (3)0.05 (1)*
H3w10.194 (1)0.174 (4)0.666 (4)0.09 (1)*
H3w20.077 (4)0.146 (4)0.567 (2)0.07 (1)*
H4w10.157 (2)0.291 (3)0.789 (3)0.06 (1)*
H4w20.009 (3)0.279 (3)0.778 (3)0.06 (1)*
H5w10.017 (4)0.358 (4)1.017 (2)0.07 (1)*
H5w20.034 (4)0.463 (1)1.118 (4)0.07 (1)*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Ag10.0469 (2)0.0465 (2)0.0552 (2)0.0113 (1)0.0121 (1)0.0045 (1)
O10.040 (1)0.038 (1)0.031 (1)0.006 (1)0.001 (1)0.002 (1)
O20.040 (1)0.040 (1)0.047 (1)0.012 (1)0.005 (1)0.005 (1)
O1w0.049 (1)0.048 (1)0.066 (1)0.006 (1)0.001 (1)0.024 (1)
O2w0.062 (1)0.039 (1)0.039 (1)0.016 (1)0.005 (1)0.007 (1)
O3w0.039 (1)0.059 (1)0.043 (1)0.006 (1)0.008 (1)0.014 (1)
O4w0.041 (1)0.055 (1)0.044 (1)0.007 (1)0.005 (1)0.003 (1)
O5w0.075 (1)0.052 (1)0.051 (1)0.003 (1)0.001 (1)0.021 (1)
N10.042 (1)0.037 (1)0.044 (1)0.009 (1)0.008 (1)0.011 (1)
N20.049 (1)0.043 (1)0.046 (1)0.015 (1)0.009 (1)0.014 (1)
N30.040 (1)0.041 (1)0.046 (1)0.006 (1)0.008 (1)0.012 (1)
N40.077 (2)0.060 (2)0.053 (1)0.030 (1)0.026 (1)0.023 (1)
C10.056 (2)0.053 (2)0.046 (1)0.012 (1)0.013 (1)0.025 (1)
C20.055 (2)0.045 (1)0.047 (1)0.014 (1)0.008 (1)0.025 (1)
C30.035 (1)0.034 (1)0.039 (1)0.004 (1)0.001 (1)0.012 (1)
C40.053 (1)0.041 (1)0.044 (1)0.012 (1)0.009 (1)0.022 (1)
C50.050 (1)0.038 (1)0.055 (2)0.012 (1)0.007 (1)0.022 (1)
C60.053 (2)0.046 (1)0.047 (1)0.006 (1)0.013 (1)0.020 (1)
C70.053 (2)0.044 (1)0.045 (1)0.012 (1)0.010 (1)0.022 (1)
C80.042 (1)0.040 (1)0.038 (1)0.007 (1)0.004 (1)0.013 (1)
C90.058 (2)0.047 (1)0.041 (1)0.010 (1)0.009 (1)0.021 (1)
C100.049 (1)0.042 (1)0.052 (2)0.009 (1)0.003 (1)0.022 (1)
C110.036 (1)0.025 (1)0.026 (1)0.005 (1)0.003 (1)0.006 (1)
C120.036 (1)0.025 (1)0.026 (1)0.007 (1)0.004 (1)0.007 (1)
C130.030 (1)0.037 (1)0.037 (1)0.006 (1)0.002 (1)0.001 (1)
C140.032 (1)0.038 (1)0.042 (1)0.010 (1)0.004 (1)0.002 (1)
Geometric parameters (Å, º) top
Ag1—N12.118 (2)O1w—H1w20.85 (1)
Ag1—N32.121 (2)O2w—H2w10.85 (1)
O1—C111.259 (3)O2w—H2w20.84 (1)
O2—C111.250 (3)O3w—H3w10.85 (1)
N1—C11.348 (3)O3w—H3w20.85 (1)
N1—C51.351 (4)O4w—H4w10.85 (1)
N2—C31.335 (3)O4w—H4w20.84 (1)
N3—C101.340 (4)O5w—H5w10.84 (1)
N3—C61.344 (4)O5w—H5w20.84 (1)
N4—C81.341 (4)N2—H2n10.85 (1)
C1—C21.366 (4)N2—H2n20.85 (1)
C2—C31.404 (4)N4—H4n10.86 (1)
C3—C41.408 (3)N4—H4n20.84 (1)
C4—C51.352 (4)C1—H10.93
C6—C71.364 (4)C2—H20.93
C7—C81.402 (3)C4—H40.93
C8—C91.406 (4)C5—H50.93
C9—C101.369 (4)C6—H60.93
C11—C121.516 (3)C7—H70.93
C12—C14i1.381 (3)C9—H90.93
C12—C131.385 (3)C10—H100.93
C13—C141.391 (3)C13—H130.93
C14—C12i1.381 (3)C14—H140.93
O1w—H1w10.84 (1)
N1—Ag1—N3174.9 (1)H2w1—O2w—H2w2106 (3)
C1—N1—C5115.2 (2)H3w1—O3w—H3w2111 (4)
C1—N1—Ag1124.0 (2)H4w1—O4w—H4w2109 (3)
C5—N1—Ag1120.8 (2)H5w1—O5w—H5w296 (4)
C10—N3—C6116.4 (2)C3—N2—H2n1120 (2)
C10—N3—Ag1121.6 (2)C3—N2—H2n2118 (2)
C6—N3—Ag1121.9 (2)H2n1—N2—H2n2121 (3)
N1—C1—C2124.3 (2)C8—N4—H4n1114 (3)
C1—C2—C3120.2 (2)C8—N4—H4n2112 (3)
N2—C3—C2123.3 (2)H4n1—N4—H4n2133 (4)
N2—C3—C4121.4 (2)N1—C1—H1117.9
C2—C3—C4115.3 (2)C2—C1—H1117.9
C5—C4—C3120.3 (2)C1—C2—H2119.9
N1—C5—C4124.6 (2)C3—C2—H2119.9
N3—C6—C7123.4 (2)C5—C4—H4119.8
C6—C7—C8120.8 (2)C3—C4—H4119.8
N4—C8—C7122.9 (2)N1—C5—H5117.7
N4—C8—C9121.8 (2)C4—C5—H5117.7
C7—C8—C9115.3 (2)N3—C6—H6118.3
C10—C9—C8120.1 (2)C7—C6—H6118.3
N3—C10—C9124.0 (2)C6—C7—H7119.6
O2—C11—O1123.8 (2)C8—C7—H7119.6
O2—C11—C12118.4 (2)C10—C9—H9120.0
O1—C11—C12117.8 (2)C8—C9—H9120.0
C14i—C12—C13118.6 (2)N3—C10—H10118.0
C14i—C12—C11120.5 (2)C9—C10—H10118.0
C13—C12—C11120.9 (2)C12—C13—H13119.6
C12—C13—C14120.8 (2)C14—C13—H13119.6
C12i—C14—C13120.6 (2)C12i—C14—H14119.7
H1w1—O1w—H1w2110 (3)C13—C14—H14119.7
C5—N1—C1—C21.3 (4)C6—C7—C8—C92.5 (4)
Ag1—N1—C1—C2179.0 (2)N4—C8—C9—C10176.0 (3)
N1—C1—C2—C31.6 (5)C7—C8—C9—C102.4 (4)
C1—C2—C3—N2177.8 (3)C6—N3—C10—C90.6 (4)
C1—C2—C3—C43.4 (4)Ag1—N3—C10—C9176.5 (2)
N2—C3—C4—C5178.6 (3)C8—C9—C10—N31.0 (4)
C2—C3—C4—C52.6 (4)O2—C11—C12—C14i1.8 (3)
C1—N1—C5—C42.2 (4)O1—C11—C12—C14i178.2 (2)
Ag1—N1—C5—C4179.9 (2)O2—C11—C12—C13177.0 (2)
C3—C4—C5—N10.3 (4)O1—C11—C12—C133.0 (3)
C10—N3—C6—C70.6 (4)C14i—C12—C13—C140.7 (4)
Ag1—N3—C6—C7176.5 (2)C11—C12—C13—C14179.5 (2)
N3—C6—C7—C81.0 (4)C12—C13—C14—C12i0.7 (4)
C6—C7—C8—N4175.9 (3)
Symmetry code: (i) x+1, y+1, z+2.
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
N2—H2n1···O1w0.85 (1)2.21 (1)3.039 (3)166 (3)
N2—H2n2···O5wii0.85 (1)2.22 (1)3.068 (3)176 (3)
N4—H4n1···O5wiii0.86 (1)2.28 (2)3.081 (4)155 (4)
N4—H4n2···O1wiv0.84 (1)2.40 (2)3.191 (4)158 (4)
O1w—H1w1···O2w0.84 (1)1.89 (1)2.727 (3)178 (3)
O1w—H1w2···O3wv0.85 (1)2.04 (1)2.870 (3)169 (4)
O2w—H2w1···O1vi0.85 (1)1.95 (1)2.778 (2)164 (3)
O2w—H2w2···O2vii0.84 (1)1.92 (1)2.748 (3)165 (3)
O3w—H3w1···O10.85 (1)1.88 (1)2.718 (3)172 (4)
O3w—H3w2···O1wvi0.85 (1)2.09 (2)2.913 (3)164 (4)
O4w—H4w1···O2viii0.85 (1)1.88 (1)2.718 (3)172 (4)
O4w—H4w2···O3w0.84 (1)1.92 (1)2.757 (3)170 (3)
O5w—H5w1···O4w0.84 (1)2.03 (1)2.853 (3)170 (4)
O5w—H5w2···O4wii0.84 (1)2.06 (1)2.898 (3)180 (4)
Symmetry codes: (ii) x, y+1, z+2; (iii) x+1, y, z+1; (iv) x+1, y1, z1; (v) x, y+1, z; (vi) x, y+1, z+1; (vii) x1, y+1, z; (viii) x1, y, z.
 

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