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The title compound, [Ag2I2(C5H5N)2(C21H21P)2], has Ci mol­ecular symmetry. Each Ag atom is surrounded by a phosphine ligand, a pyridine ligand and two iodide anions in a distorted tetra­hedral coordination. The Ag...Ag separation in the binuclear species is 3.1130 (18) Å. The Ag—P distance is 2.4489 (12) Å, the Ag—N distance is 2.392 (3) Å, and the Ag—I distances are 2.8402 (14) and 2.8644 (8) Å.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536806043601/kp2051sup1.cif
Contains datablocks global, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536806043601/kp2051Isup2.hkl
Contains datablock I

CCDC reference: 630038

Key indicators

  • Single-crystal X-ray study
  • T = 298 K
  • Mean [sigma](C-C) = 0.007 Å
  • Disorder in main residue
  • R factor = 0.030
  • wR factor = 0.078
  • Data-to-parameter ratio = 14.9

checkCIF/PLATON results

No syntax errors found



Alert level C PLAT094_ALERT_2_C Ratio of Maximum / Minimum Residual Density .... 2.06 PLAT301_ALERT_3_C Main Residue Disorder ......................... 12.00 Perc. PLAT432_ALERT_2_C Short Inter X...Y Contact C22B .. C23B .. 3.11 Ang.
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 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 0 ALERT type 4 Improvement, methodology, query or suggestion 0 ALERT type 5 Informative message, check

Computing details top

Data collection: SMART-NT (Bruker, 1999); cell refinement: SAINT-Plus (Bruker, 1999); data reduction: SAINT-Plus and XPREP (Bruker, 1999); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: DIAMOND (Brandenburg & Putz, 2005); software used to prepare material for publication: WinGX (Farrugia, 1999).

Di-µ-iodo-bis[pyridine(tri-p-tolylphosphine)silver(I)] top
Crystal data top
C52H52Ag2I2N2P2Z = 1
Mr = 1236.44F(000) = 608
Triclinic, P1Dx = 1.632 Mg m3
Hall symbol: -P 1Mo Kα radiation, λ = 0.71073 Å
a = 10.006 (2) ÅCell parameters from 946 reflections
b = 11.957 (2) Åθ = 3.4–27.8°
c = 12.184 (2) ŵ = 2.10 mm1
α = 104.67 (3)°T = 298 K
β = 113.24 (3)°Cuboid, colourless
γ = 96.44 (3)°0.44 × 0.24 × 0.22 mm
V = 1258.4 (6) Å3
Data collection top
Bruker SMART CCD area-detector
diffractometer
4400 independent reflections
Radiation source: fine-focus sealed tube3631 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.015
Detector resolution: 512 pixels mm-1θmax = 25°, θmin = 1.8°
φ and ω scansh = 1111
Absorption correction: multi-scan
(SADABS; Bruker, 2004)
k = 1214
Tmin = 0.440, Tmax = 0.629l = 1114
6862 measured reflections
Refinement top
Refinement on F28 restraints
Least-squares matrix: fullH-atom parameters constrained
R[F2 > 2σ(F2)] = 0.03 w = 1/[σ2(Fo2) + (0.0385P)2 + 0.8633P]
where P = (Fo2 + 2Fc2)/3
wR(F2) = 0.078(Δ/σ)max < 0.001
S = 1.03Δρmax = 1.05 e Å3
4400 reflectionsΔρmin = 0.51 e Å3
295 parameters
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.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/UeqOcc. (<1)
Ag0.40816 (3)0.37172 (3)0.41150 (3)0.05861 (11)
I0.32215 (3)0.58235 (2)0.36615 (3)0.06131 (11)
P0.42104 (10)0.24610 (9)0.22467 (9)0.0445 (2)
C110.4627 (4)0.1032 (3)0.2325 (3)0.0446 (8)
C120.5363 (4)0.0896 (3)0.3498 (4)0.0536 (9)
H120.560.15240.42270.064*
C130.5748 (4)0.0160 (4)0.3596 (4)0.0580 (10)
H130.62610.02240.43930.07*
C140.5388 (4)0.1125 (3)0.2537 (4)0.0525 (9)
C150.4610 (5)0.0997 (4)0.1376 (4)0.0570 (10)
H150.43220.16420.06490.068*
C160.4249 (4)0.0054 (4)0.1259 (4)0.0548 (10)
H160.37460.01140.04590.066*
C170.5786 (6)0.2283 (4)0.2638 (5)0.0759 (13)
H17A0.68340.22060.28610.114*
H17B0.52090.29010.1840.114*
H17C0.5570.2480.32760.114*
C210.2517 (4)0.2091 (3)0.0767 (3)0.0452 (8)
C240.0192 (4)0.1549 (3)0.1437 (4)0.0551 (10)
C270.1620 (5)0.1300 (4)0.2610 (4)0.0754 (13)
H27A0.19920.20070.25910.113*
H27B0.2350.06760.26510.113*
H27C0.14330.10560.33390.113*
C220.1162 (9)0.2037 (12)0.0813 (7)0.065 (3)0.81 (2)
H220.11330.21860.1590.078*0.81 (2)
C230.0156 (7)0.1766 (13)0.0270 (7)0.073 (3)0.81 (2)
H230.10530.1730.02030.088*0.81 (2)
C250.1185 (7)0.1614 (11)0.1486 (6)0.059 (2)0.81 (2)
H250.1210.1480.22630.07*0.81 (2)
C260.2508 (7)0.1870 (12)0.0409 (7)0.059 (2)0.81 (2)
H260.34060.18960.04730.071*0.81 (2)
C22B0.123 (5)0.147 (4)0.073 (4)0.074 (11)0.19 (2)
H22B0.12570.12410.14170.089*0.19 (2)
C23B0.020 (4)0.118 (3)0.044 (3)0.071 (10)*0.19 (2)
H23B0.10770.0750.05030.085*0.19 (2)
C25B0.109 (3)0.210 (3)0.131 (3)0.055 (9)*0.19 (2)
H25B0.1110.23740.19580.065*0.19 (2)
C26B0.243 (4)0.230 (3)0.025 (3)0.041 (8)*0.19 (2)
H26B0.33130.26030.0270.05*0.19 (2)
C310.5664 (4)0.3147 (3)0.1909 (3)0.0447 (8)
C320.5510 (4)0.4149 (4)0.1533 (4)0.0609 (10)
H320.46880.44660.1480.073*
C330.6558 (5)0.4676 (4)0.1238 (4)0.0670 (11)
H330.64180.53370.09740.08*
C340.7813 (4)0.4255 (4)0.1323 (4)0.0618 (11)
C350.8001 (4)0.3300 (4)0.1770 (4)0.0626 (11)
H350.88640.30230.18890.075*
C360.6937 (4)0.2748 (4)0.2043 (4)0.0534 (9)
H360.70850.20970.23220.064*
C370.8918 (6)0.4806 (5)0.0947 (6)0.0922 (16)
H37A0.97110.43960.10720.138*0.5
H37B0.93290.56290.14550.138*0.5
H37C0.84220.47440.00720.138*0.5
H37D0.85970.5450.06610.138*0.5
H37E0.89790.42170.02780.138*0.5
H37F0.98860.51020.16610.138*0.5
N0.2038 (4)0.3047 (3)0.4527 (3)0.0577 (8)
C420.1603 (5)0.3825 (4)0.5214 (4)0.0663 (11)
H420.21470.46130.55530.08*
C430.0411 (6)0.3559 (6)0.5466 (5)0.0811 (14)
H430.01630.41470.59640.097*
C440.0389 (6)0.2430 (6)0.4977 (5)0.0896 (17)
H440.12080.22210.51290.107*
C450.0005 (7)0.1591 (5)0.4257 (6)0.0993 (18)
H450.0540.08030.39050.119*
C460.1239 (6)0.1937 (4)0.4059 (5)0.0801 (14)
H460.15160.13610.35740.096*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Ag0.0620 (2)0.0649 (2)0.05410 (19)0.02197 (15)0.03155 (15)0.01485 (15)
I0.05580 (17)0.06029 (18)0.06207 (18)0.01919 (13)0.01682 (13)0.02327 (13)
P0.0419 (5)0.0534 (6)0.0402 (5)0.0159 (4)0.0193 (4)0.0144 (4)
C110.0412 (19)0.054 (2)0.0400 (19)0.0126 (16)0.0192 (15)0.0146 (16)
C120.053 (2)0.055 (2)0.042 (2)0.0081 (18)0.0147 (17)0.0111 (17)
C130.059 (2)0.063 (3)0.049 (2)0.013 (2)0.0160 (19)0.027 (2)
C140.054 (2)0.055 (2)0.061 (2)0.0151 (18)0.0321 (19)0.025 (2)
C150.069 (3)0.053 (2)0.052 (2)0.020 (2)0.031 (2)0.0117 (18)
C160.063 (2)0.063 (3)0.041 (2)0.025 (2)0.0231 (18)0.0164 (18)
C170.096 (4)0.066 (3)0.090 (3)0.033 (3)0.051 (3)0.042 (3)
C210.0385 (19)0.054 (2)0.046 (2)0.0150 (16)0.0191 (16)0.0178 (17)
C240.045 (2)0.057 (2)0.054 (2)0.0131 (18)0.0126 (18)0.0173 (19)
C270.051 (2)0.091 (3)0.065 (3)0.013 (2)0.007 (2)0.026 (3)
C220.045 (3)0.114 (8)0.047 (3)0.031 (4)0.027 (3)0.030 (4)
C230.037 (3)0.120 (9)0.065 (4)0.022 (4)0.027 (3)0.025 (4)
C250.051 (3)0.081 (6)0.039 (3)0.012 (3)0.019 (2)0.014 (3)
C260.041 (3)0.088 (7)0.050 (3)0.018 (3)0.024 (2)0.018 (4)
C22B0.071 (18)0.09 (3)0.08 (2)0.06 (2)0.032 (15)0.05 (2)
C310.0371 (18)0.055 (2)0.0389 (18)0.0101 (16)0.0146 (15)0.0146 (16)
C320.050 (2)0.060 (3)0.078 (3)0.0182 (19)0.029 (2)0.028 (2)
C330.059 (3)0.062 (3)0.081 (3)0.011 (2)0.027 (2)0.034 (2)
C340.047 (2)0.073 (3)0.056 (2)0.002 (2)0.0179 (19)0.019 (2)
C350.041 (2)0.086 (3)0.063 (3)0.019 (2)0.0226 (19)0.026 (2)
C360.046 (2)0.068 (3)0.052 (2)0.0204 (18)0.0208 (17)0.0259 (19)
C370.064 (3)0.117 (4)0.108 (4)0.008 (3)0.045 (3)0.052 (4)
N0.058 (2)0.063 (2)0.058 (2)0.0165 (17)0.0296 (17)0.0208 (17)
C420.065 (3)0.075 (3)0.059 (3)0.011 (2)0.034 (2)0.016 (2)
C430.071 (3)0.113 (4)0.067 (3)0.022 (3)0.040 (3)0.028 (3)
C440.065 (3)0.136 (5)0.081 (4)0.015 (3)0.036 (3)0.055 (4)
C450.090 (4)0.086 (4)0.108 (5)0.012 (3)0.034 (4)0.040 (4)
C460.099 (4)0.065 (3)0.082 (3)0.015 (3)0.046 (3)0.026 (3)
Geometric parameters (Å, º) top
Ag—N2.392 (3)C25—C261.379 (9)
Ag—P2.4489 (12)C25—H250.93
Ag—Ii2.8402 (14)C26—H260.93
Ag—I2.8644 (8)C22B—C23B1.49 (5)
Ag—Agi3.1138 (8)C22B—H22B0.93
I—Agi2.8402 (14)C23B—H23B0.93
P—C111.820 (4)C25B—C26B1.39 (4)
P—C211.825 (4)C25B—H25B0.93
P—C311.826 (4)C26B—H26B0.93
C11—C121.387 (5)C31—C361.374 (5)
C11—C161.394 (5)C31—C321.390 (5)
C12—C131.381 (5)C32—C331.375 (6)
C12—H120.93C32—H320.93
C13—C141.382 (6)C33—C341.381 (6)
C13—H130.93C33—H330.93
C14—C151.378 (5)C34—C351.385 (6)
C14—C171.504 (6)C34—C371.502 (6)
C15—C161.371 (5)C35—C361.384 (5)
C15—H150.93C35—H350.93
C16—H160.93C36—H360.93
C17—H17A0.96C37—H37A0.96
C17—H17B0.96C37—H37B0.96
C17—H17C0.96C37—H37C0.96
C21—C26B1.30 (3)C37—H37D0.96
C21—C221.374 (9)C37—H37E0.96
C21—C261.386 (8)C37—H37F0.96
C21—C22B1.40 (5)N—C421.320 (5)
C24—C25B1.31 (3)N—C461.320 (6)
C24—C231.364 (7)C42—C431.367 (6)
C24—C251.397 (8)C42—H420.93
C24—C23B1.40 (4)C43—C441.339 (7)
C24—C271.500 (5)C43—H430.93
C27—H27A0.96C44—C451.359 (8)
C27—H27B0.96C44—H440.93
C27—H27C0.96C45—C461.388 (7)
C22—C231.378 (10)C45—H450.93
C22—H220.93C46—H460.93
C23—H230.93
N—Ag—P117.09 (9)C21—C26—H26119.5
N—Ag—Ii107.99 (8)C21—C22B—C23B118 (3)
P—Ag—Ii111.63 (4)C21—C22B—H22B121.1
N—Ag—I96.24 (8)C23B—C22B—H22B121.1
P—Ag—I109.32 (3)C24—C23B—C22B119 (3)
Ii—Ag—I113.84 (4)C24—C23B—H23B120.4
N—Ag—Agi112.44 (9)C22B—C23B—H23B120.4
P—Ag—Agi129.83 (4)C24—C25B—C26B122 (3)
Ii—Ag—Agi57.29 (4)C24—C25B—H25B118.8
I—Ag—Agi56.54 (3)C26B—C25B—H25B118.8
Agi—I—Ag66.16 (4)C21—C26B—C25B124 (3)
C11—P—C21104.54 (17)C21—C26B—H26B118
C11—P—C31103.59 (16)C25B—C26B—H26B118
C21—P—C31103.37 (16)C36—C31—C32117.7 (3)
C11—P—Ag115.47 (12)C36—C31—P123.5 (3)
C21—P—Ag115.15 (12)C32—C31—P118.8 (3)
C31—P—Ag113.29 (12)C33—C32—C31120.8 (4)
C12—C11—C16117.5 (3)C33—C32—H32119.6
C12—C11—P119.1 (3)C31—C32—H32119.6
C16—C11—P123.3 (3)C32—C33—C34122.0 (4)
C13—C12—C11120.8 (4)C32—C33—H33119
C13—C12—H12119.6C34—C33—H33119
C11—C12—H12119.6C33—C34—C35116.7 (4)
C12—C13—C14121.5 (4)C33—C34—C37121.6 (4)
C12—C13—H13119.2C35—C34—C37121.7 (4)
C14—C13—H13119.2C36—C35—C34121.5 (4)
C15—C14—C13117.3 (4)C36—C35—H35119.2
C15—C14—C17120.9 (4)C34—C35—H35119.2
C13—C14—C17121.8 (4)C31—C36—C35121.1 (4)
C16—C15—C14121.9 (4)C31—C36—H36119.5
C16—C15—H15119C35—C36—H36119.5
C14—C15—H15119C34—C37—H37A109.5
C15—C16—C11120.8 (4)C34—C37—H37B109.5
C15—C16—H16119.6H37A—C37—H37B109.5
C11—C16—H16119.6C34—C37—H37C109.5
C14—C17—H17A109.5H37A—C37—H37C109.5
C14—C17—H17B109.5H37B—C37—H37C109.5
H17A—C17—H17B109.5C34—C37—H37D109.5
C14—C17—H17C109.5H37A—C37—H37D141.1
H17A—C17—H17C109.5H37B—C37—H37D56.3
H17B—C17—H17C109.5H37C—C37—H37D56.3
C22—C21—C26117.4 (5)C34—C37—H37E109.5
C26B—C21—C22B118 (2)H37A—C37—H37E56.3
C26B—C21—P126.3 (14)H37B—C37—H37E141.1
C22—C21—P118.5 (4)H37C—C37—H37E56.3
C26—C21—P124.1 (3)H37D—C37—H37E109.5
C22B—C21—P115.5 (15)C34—C37—H37F109.5
C23—C24—C25116.6 (4)H37A—C37—H37F56.3
C25B—C24—C23B118 (2)H37B—C37—H37F56.3
C25B—C24—C27122.0 (14)H37C—C37—H37F141.1
C23—C24—C27122.3 (4)H37D—C37—H37F109.5
C25—C24—C27121.1 (4)H37E—C37—H37F109.5
C23B—C24—C27120.2 (16)C42—N—C46116.0 (4)
C24—C27—H27A109.5C42—N—Ag119.5 (3)
C24—C27—H27B109.5C46—N—Ag124.4 (3)
H27A—C27—H27B109.5N—C42—C43124.9 (5)
C24—C27—H27C109.5N—C42—H42117.6
H27A—C27—H27C109.5C43—C42—H42117.6
H27B—C27—H27C109.5C44—C43—C42118.2 (5)
C21—C22—C23121.2 (6)C44—C43—H43120.9
C21—C22—H22119.4C42—C43—H43120.9
C23—C22—H22119.4C43—C44—C45119.5 (5)
C24—C23—C22122.4 (5)C43—C44—H44120.3
C24—C23—H23118.8C45—C44—H44120.3
C22—C23—H23118.8C44—C45—C46118.5 (5)
C26—C25—C24121.5 (5)C44—C45—H45120.7
C26—C25—H25119.3C46—C45—H45120.7
C24—C25—H25119.3N—C46—C45122.9 (5)
C25—C26—C21120.9 (5)N—C46—H46118.5
C25—C26—H26119.5C45—C46—H46118.5
N—Ag—I—Agi112.83 (9)C24—C25—C26—C210.9 (12)
P—Ag—I—Agi125.58 (4)C26B—C21—C26—C2576 (4)
Ii—Ag—I—Agi0C22—C21—C26—C250.3 (10)
N—Ag—P—C1168.25 (16)C22B—C21—C26—C2531.5 (15)
Ii—Ag—P—C1156.92 (13)P—C21—C26—C25179.0 (5)
I—Ag—P—C11176.23 (12)C26B—C21—C22B—C23B5.1 (15)
Agi—Ag—P—C11121.69 (13)C22—C21—C22B—C23B75 (3)
N—Ag—P—C2153.82 (16)C26—C21—C22B—C23B29.6 (13)
Ii—Ag—P—C21178.99 (13)P—C21—C22B—C23B178.1 (6)
I—Ag—P—C2154.16 (14)C25B—C24—C23B—C22B2.7 (19)
Agi—Ag—P—C21116.24 (13)C23—C24—C23B—C22B75 (3)
N—Ag—P—C31172.51 (15)C25—C24—C23B—C22B30.0 (15)
Ii—Ag—P—C3162.32 (13)C27—C24—C23B—C22B178.1 (6)
I—Ag—P—C3164.53 (13)C21—C22B—C23B—C241.0 (12)
Agi—Ag—P—C312.46 (13)C23—C24—C25B—C26B31 (3)
C21—P—C11—C12150.9 (3)C25—C24—C25B—C26B82 (4)
C31—P—C11—C12101.1 (3)C23B—C24—C25B—C26B2 (3)
Ag—P—C11—C1223.3 (3)C27—C24—C25B—C26B177.6 (17)
C21—P—C11—C1629.4 (4)C22—C21—C26B—C25B20 (2)
C31—P—C11—C1678.5 (3)C26—C21—C26B—C25B94 (5)
Ag—P—C11—C16157.0 (3)C22B—C21—C26B—C25B10 (3)
C16—C11—C12—C132.1 (6)P—C21—C26B—C25B173.7 (17)
P—C11—C12—C13177.5 (3)C24—C25B—C26B—C218 (4)
C11—C12—C13—C141.4 (6)C11—P—C31—C3615.0 (3)
C12—C13—C14—C150.8 (6)C21—P—C31—C36123.8 (3)
C12—C13—C14—C17179.2 (4)Ag—P—C31—C36110.9 (3)
C13—C14—C15—C162.4 (6)C11—P—C31—C32167.1 (3)
C17—C14—C15—C16179.2 (4)C21—P—C31—C3258.2 (3)
C14—C15—C16—C111.7 (6)Ag—P—C31—C3267.1 (3)
C12—C11—C16—C150.6 (6)C36—C31—C32—C333.6 (6)
P—C11—C16—C15179.0 (3)P—C31—C32—C33178.3 (3)
C11—P—C21—C26B109.0 (18)C31—C32—C33—C341.2 (7)
C31—P—C21—C26B0.9 (18)C32—C33—C34—C352.5 (7)
Ag—P—C21—C26B123.2 (17)C32—C33—C34—C37177.4 (5)
C11—P—C21—C2299.2 (7)C33—C34—C35—C363.9 (6)
C31—P—C21—C22152.7 (7)C37—C34—C35—C36176.0 (4)
Ag—P—C21—C2228.6 (7)C32—C31—C36—C352.2 (6)
C11—P—C21—C2681.6 (8)P—C31—C36—C35179.8 (3)
C31—P—C21—C2626.6 (8)C34—C35—C36—C311.6 (6)
Ag—P—C21—C26150.7 (7)P—Ag—N—C42156.8 (3)
C11—P—C21—C22B67.5 (17)Ii—Ag—N—C4276.2 (3)
C31—P—C21—C22B175.6 (17)I—Ag—N—C4241.3 (3)
Ag—P—C21—C22B60.3 (17)Agi—Ag—N—C4215.0 (3)
C26B—C21—C22—C2323.7 (14)P—Ag—N—C4619.7 (4)
C26—C21—C22—C230.5 (8)Ii—Ag—N—C46107.3 (4)
C22B—C21—C22—C2389 (4)I—Ag—N—C46135.2 (3)
P—C21—C22—C23179.8 (5)Agi—Ag—N—C46168.5 (3)
C25B—C24—C23—C2226.2 (16)C46—N—C42—C430.1 (7)
C25—C24—C23—C220.1 (9)Ag—N—C42—C43176.9 (4)
C23B—C24—C23—C2288 (3)N—C42—C43—C440.5 (8)
C27—C24—C23—C22177.7 (5)C42—C43—C44—C450.2 (8)
C21—C22—C23—C240.7 (9)C43—C44—C45—C460.4 (9)
C25B—C24—C25—C2678 (4)C42—N—C46—C450.5 (7)
C23—C24—C25—C260.7 (10)Ag—N—C46—C45176.1 (4)
C23B—C24—C25—C2630.0 (17)C44—C45—C46—N0.8 (9)
C27—C24—C25—C26178.5 (6)
Symmetry code: (i) x+1, y+1, z+1.
 

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