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The title complex, [Ag2(NO3)2(C12H10N4)2], is a cyclic dimer containing a 14-membered centrosymmetric metallacyclic ring. The Ag atom is three-coordinated by two N atoms and one O atom. It complements the previously described monoclinic modification [Richardson & Steel (2003). Dalton Trans. pp. 992–1000] of the same phase.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536806015546/hb2033sup1.cif
Contains datablocks I, global

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536806015546/hb2033Isup2.hkl
Contains datablock I

CCDC reference: 610776

Key indicators

  • Single-crystal X-ray study
  • T = 293 K
  • Mean [sigma](C-C) = 0.006 Å
  • R factor = 0.040
  • wR factor = 0.087
  • Data-to-parameter ratio = 16.0

checkCIF/PLATON results

No syntax errors found



Alert level B PLAT242_ALERT_2_B Check Low Ueq as Compared to Neighbors for N5
Alert level C PLAT062_ALERT_4_C Rescale T(min) & T(max) by ..................... 0.86 PLAT199_ALERT_1_C Check the Reported _cell_measurement_temperature 293 K PLAT200_ALERT_1_C Check the Reported _diffrn_ambient_temperature . 293 K PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for O1
Alert level G ABSTM02_ALERT_3_G When printed, the submitted absorption T values will be replaced by the scaled T values. Since the ratio of scaled T's is identical to the ratio of reported T values, the scaling does not imply a change to the absorption corrections used in the study. Ratio of Tmax expected/reported 0.860 Tmax scaled 0.860 Tmin scaled 0.694
0 ALERT level A = In general: serious problem 1 ALERT level B = Potentially serious problem 4 ALERT level C = Check and explain 1 ALERT level G = General alerts; check 2 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 2 ALERT type 2 Indicator that the structure model may be wrong or deficient 1 ALERT type 3 Indicator that the structure quality may be low 1 ALERT type 4 Improvement, methodology, query or suggestion

Computing details top

Data collection: SMART (Siemens, 1996); cell refinement: SAINT (Siemens, 1994); data reduction: SHELXTL (Siemens, 1994); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: SHELXTL; software used to prepare material for publication: SHELXTL.

bis[µ-1-(2-pyridylmethyl)-1H-benzotriazole]bis[nitratosilver(I)] top
Crystal data top
[Ag2(NO3)2(C12H10N4)2]Z = 1
Mr = 760.24F(000) = 376
Triclinic, P1Dx = 1.873 Mg m3
Hall symbol: -P 1Mo Kα radiation, λ = 0.71073 Å
a = 8.914 (5) ÅCell parameters from 1572 reflections
b = 9.020 (6) Åθ = 2.4–27.5°
c = 9.505 (6) ŵ = 1.51 mm1
α = 109.898 (8)°T = 293 K
β = 101.234 (3)°Prism, colourless
γ = 101.797 (4)°0.30 × 0.20 × 0.10 mm
V = 673.8 (7) Å3
Data collection top
Siemens SMART
diffractometer
3046 independent reflections
Radiation source: fine-focus sealed tube2412 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.017
ω scansθmax = 27.5°, θmin = 2.4°
Absorption correction: multi-scan
(SADABS; Sheldrick, 1996)
h = 1111
Tmin = 0.808, Tmax = 1.000k = 1011
5247 measured reflectionsl = 1211
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)] = 0.040Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.087H-atom parameters constrained
S = 1.01 w = 1/[σ2(Fo2) + (0.0284P)2 + 0.95P]
where P = (Fo2 + 2Fc2)/3
3046 reflections(Δ/σ)max = 0.001
190 parametersΔρmax = 0.58 e Å3
0 restraintsΔρmin = 0.81 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
O30.1927 (5)0.2919 (4)0.6869 (4)0.0886 (11)
C50.7464 (4)1.0462 (5)0.5538 (4)0.0502 (9)
H50.78460.96210.49940.060*
C40.7702 (5)1.1918 (6)0.5358 (5)0.0601 (10)
H40.82711.20760.46720.072*
C30.7124 (5)1.3192 (5)0.6165 (5)0.0591 (10)
H3A0.73161.41590.59910.071*
C20.6290 (4)1.3055 (5)0.7195 (4)0.0484 (8)
H20.59141.39030.77330.058*
C60.6612 (4)1.0316 (4)0.6589 (4)0.0378 (7)
C10.6030 (4)1.1568 (4)0.7400 (4)0.0379 (7)
N30.5264 (3)1.1043 (4)0.8333 (3)0.0434 (7)
Ag10.58099 (4)0.75635 (4)0.99602 (4)0.06602 (14)
O10.3484 (4)0.4920 (4)0.8934 (3)0.0739 (9)
N40.7906 (3)0.7452 (4)0.9039 (3)0.0438 (7)
N10.6143 (3)0.9106 (3)0.7087 (3)0.0410 (6)
N20.5337 (4)0.9551 (4)0.8137 (3)0.0453 (7)
N50.2847 (4)0.4326 (4)0.7501 (4)0.0495 (7)
C80.7949 (4)0.7514 (4)0.7663 (4)0.0402 (7)
O20.3166 (4)0.5132 (4)0.6728 (4)0.0797 (9)
C70.6419 (4)0.7485 (4)0.6632 (4)0.0450 (8)
H7A0.64600.71120.55590.054*
H7B0.55280.67020.66840.054*
C120.9219 (5)0.7361 (5)0.9930 (4)0.0595 (10)
H120.92060.73281.08950.071*
C90.9301 (5)0.7524 (5)0.7167 (5)0.0578 (10)
H90.93090.75960.62150.069*
C111.0583 (5)0.7313 (6)0.9470 (5)0.0715 (13)
H111.14590.72061.00980.086*
C101.0642 (5)0.7425 (7)0.8094 (5)0.0729 (13)
H101.15690.74340.77820.087*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
O30.105 (3)0.066 (2)0.068 (2)0.0029 (19)0.034 (2)0.0060 (17)
C50.050 (2)0.070 (2)0.0399 (19)0.0249 (18)0.0249 (16)0.0214 (18)
C40.060 (2)0.079 (3)0.057 (2)0.019 (2)0.033 (2)0.037 (2)
C30.065 (3)0.060 (2)0.063 (2)0.018 (2)0.025 (2)0.034 (2)
C20.051 (2)0.048 (2)0.048 (2)0.0198 (17)0.0141 (17)0.0184 (17)
C60.0370 (17)0.0482 (18)0.0311 (15)0.0185 (14)0.0115 (13)0.0149 (14)
C10.0387 (17)0.0499 (19)0.0295 (15)0.0196 (15)0.0133 (13)0.0150 (14)
N30.0482 (17)0.0556 (18)0.0378 (15)0.0274 (14)0.0220 (13)0.0196 (13)
Ag10.0740 (2)0.0756 (2)0.0686 (2)0.03799 (18)0.04992 (19)0.02704 (17)
O10.075 (2)0.086 (2)0.0463 (17)0.0129 (17)0.0078 (15)0.0204 (16)
N40.0446 (16)0.0554 (18)0.0393 (15)0.0222 (14)0.0201 (13)0.0193 (14)
N10.0480 (16)0.0497 (16)0.0393 (15)0.0270 (13)0.0232 (13)0.0210 (13)
N20.0549 (18)0.0526 (17)0.0455 (16)0.0284 (14)0.0287 (14)0.0248 (14)
N50.0487 (18)0.059 (2)0.0462 (18)0.0232 (16)0.0233 (15)0.0184 (16)
C80.0441 (18)0.0446 (18)0.0391 (17)0.0208 (15)0.0199 (15)0.0165 (15)
O20.095 (2)0.092 (2)0.080 (2)0.034 (2)0.0460 (19)0.052 (2)
C70.051 (2)0.0477 (19)0.0408 (18)0.0258 (16)0.0161 (16)0.0150 (16)
C120.057 (2)0.086 (3)0.041 (2)0.026 (2)0.0139 (18)0.029 (2)
C90.056 (2)0.084 (3)0.055 (2)0.033 (2)0.0328 (19)0.036 (2)
C110.045 (2)0.109 (4)0.067 (3)0.033 (2)0.012 (2)0.039 (3)
C100.049 (2)0.117 (4)0.074 (3)0.039 (3)0.037 (2)0.045 (3)
Geometric parameters (Å, º) top
O3—N51.228 (4)O1—N51.242 (4)
C5—C41.361 (6)N4—C81.336 (4)
C5—C61.392 (4)N4—C121.340 (5)
C5—H50.9300N1—N21.341 (4)
C4—C31.404 (6)N1—C71.464 (4)
C4—H40.9300N5—O21.229 (4)
C3—C21.362 (5)C8—C91.376 (5)
C3—H3A0.9300C8—C71.506 (5)
C2—C11.400 (5)C7—H7A0.9700
C2—H20.9300C7—H7B0.9700
C6—N11.353 (4)C12—C111.374 (6)
C6—C11.393 (4)C12—H120.9300
C1—N31.367 (4)C9—C101.379 (6)
N3—N21.312 (4)C9—H90.9300
N3—Ag1i2.199 (3)C11—C101.355 (6)
Ag1—N3i2.199 (3)C11—H110.9300
Ag1—N42.218 (3)C10—H100.9300
Ag1—O12.558 (4)
C4—C5—C6115.5 (3)N2—N1—C6111.4 (3)
C4—C5—H5122.2N2—N1—C7120.1 (3)
C6—C5—H5122.2C6—N1—C7128.6 (3)
C5—C4—C3122.7 (4)N3—N2—N1107.6 (3)
C5—C4—H4118.6O3—N5—O2120.8 (4)
C3—C4—H4118.6O3—N5—O1119.2 (4)
C2—C3—C4122.0 (4)O2—N5—O1120.0 (4)
C2—C3—H3A119.0N4—C8—C9122.0 (3)
C4—C3—H3A119.0N4—C8—C7116.9 (3)
C3—C2—C1116.4 (3)C9—C8—C7121.1 (3)
C3—C2—H2121.8N1—C7—C8112.4 (3)
C1—C2—H2121.8N1—C7—H7A109.1
N1—C6—C5133.5 (3)C8—C7—H7A109.1
N1—C6—C1104.0 (3)N1—C7—H7B109.1
C5—C6—C1122.5 (3)C8—C7—H7B109.1
N3—C1—C6107.9 (3)H7A—C7—H7B107.9
N3—C1—C2131.2 (3)N4—C12—C11122.4 (4)
C6—C1—C2120.9 (3)N4—C12—H12118.8
N2—N3—C1109.1 (3)C11—C12—H12118.8
N2—N3—Ag1i123.0 (2)C8—C9—C10119.3 (4)
C1—N3—Ag1i127.8 (2)C8—C9—H9120.3
N3i—Ag1—N4148.45 (12)C10—C9—H9120.3
N3i—Ag1—O193.29 (12)C10—C11—C12119.5 (4)
N4—Ag1—O1117.89 (11)C10—C11—H11120.2
N5—O1—Ag1114.9 (3)C12—C11—H11120.2
C8—N4—C12118.0 (3)C11—C10—C9118.7 (4)
C8—N4—Ag1123.8 (2)C11—C10—H10120.7
C12—N4—Ag1118.2 (2)C9—C10—H10120.7
Symmetry code: (i) x+1, y+2, z+2.
 

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