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The title dinuclear compound, [Ag2Cl2(C10H9N)4], has C2 symmetry. The AgI ion is coordinated by two methyl­isoquinoline mol­ecules and two Cl anions with a distorted tetra­hedral geometry. The distance of 3.0630 (9) Å between the two Ag atoms suggests the existence of an Ag—Ag bonding inter­action within the dinuclear complex mol­ecule.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536806001048/xu6093sup1.cif
Contains datablocks global, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536806001048/xu6093Isup2.hkl
Contains datablock I

CCDC reference: 298581

Key indicators

  • Single-crystal X-ray study
  • T = 291 K
  • Mean [sigma](C-C) = 0.005 Å
  • R factor = 0.031
  • wR factor = 0.096
  • Data-to-parameter ratio = 19.3

checkCIF/PLATON results

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Alert level B PLAT232_ALERT_2_B Hirshfeld Test Diff (M-X) Ag1 - Cl .. 43.64 su PLAT232_ALERT_2_B Hirshfeld Test Diff (M-X) Ag1 - Cl_a .. 51.68 su
Alert level C PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X) Ag1 - N2 .. 5.61 su PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for Ag1
0 ALERT level A = In general: serious problem 2 ALERT level B = Potentially serious problem 2 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 4 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: PROCESS-AUTO (Rigaku, 1998); cell refinement: PROCESS-AUTO; data reduction: PROCESS-AUTO; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: SHELXTL-Plus (Sheldrick, 1990); software used to prepare material for publication: SHELXL97.

Di-µ-chloro-bis[bis(3-methylisoquinoline-κN)silver(I)] top
Crystal data top
[Ag2Cl2(C10H9N)4]F(000) = 1728
Mr = 859.37Dx = 1.546 Mg m3
Monoclinic, C2/cMo Kα radiation, λ = 0.71069 Å
Hall symbol: -C 2ycCell parameters from 11437 reflections
a = 24.760 (5) Åθ = 2.1–27.5°
b = 10.963 (5) ŵ = 1.24 mm1
c = 16.881 (5) ÅT = 291 K
β = 126.328 (5)°Block, colorless
V = 3692 (2) Å30.27 × 0.22 × 0.21 mm
Z = 4
Data collection top
Rigaku R-AXIS RAPID
diffractometer
4228 independent reflections
Radiation source: rotor-target2635 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.037
Detector resolution: 10.0 pixels mm-1θmax = 27.5°, θmin = 2.0°
ω scansh = 3225
Absorption correction: multi-scan
(ABSCOR; Higashi, 1995)
k = 1414
Tmin = 0.711, Tmax = 0.776l = 2121
17327 measured reflections
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)] = 0.031Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.096H-atom parameters constrained
S = 0.88 w = 1/[σ2(Fo2) + (0.0537P)2]
where P = (Fo2 + 2Fc2)/3
4228 reflections(Δ/σ)max = 0.002
219 parametersΔρmax = 0.52 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
Ag10.924643 (14)0.30581 (2)0.70188 (2)0.07698 (13)
C10.89290 (14)0.0206 (3)0.7132 (2)0.0575 (7)
C20.89658 (14)0.1028 (3)0.7054 (2)0.0582 (7)
H20.88620.15500.73800.070*
C30.91592 (13)0.1517 (2)0.6487 (2)0.0514 (7)
C40.92333 (17)0.2780 (3)0.6397 (3)0.0696 (9)
H40.91400.33430.67130.084*
C50.94385 (18)0.3175 (3)0.5856 (3)0.0809 (10)
H50.94920.40080.58170.097*
C60.95712 (17)0.2364 (3)0.5358 (3)0.0791 (10)
H60.97070.26540.49840.095*
C70.95008 (15)0.1143 (3)0.5420 (2)0.0667 (8)
H70.95850.05990.50820.080*
C80.93013 (13)0.0697 (2)0.5992 (2)0.0493 (6)
C90.92444 (14)0.0560 (2)0.6118 (2)0.0556 (7)
H90.93340.11100.57900.067*
C110.8736 (2)0.0773 (4)0.7739 (3)0.0910 (12)
H11A0.90890.13060.82190.136*
H11B0.86670.01450.80650.136*
H11C0.83310.12330.73200.136*
C130.86579 (14)0.5146 (3)0.7584 (2)0.0548 (7)
H130.90220.48830.81980.066*
C140.82878 (14)0.6140 (3)0.7549 (2)0.0534 (7)
C150.84491 (18)0.6753 (3)0.8404 (3)0.0716 (9)
H150.88100.64970.90240.086*
C160.8067 (2)0.7725 (4)0.8303 (4)0.0913 (12)
H160.81730.81410.88590.110*
C170.7525 (2)0.8097 (4)0.7381 (5)0.0992 (14)
H170.72690.87530.73310.119*
C180.73570 (18)0.7534 (4)0.6551 (4)0.0889 (11)
H180.69930.78100.59400.107*
C190.77360 (14)0.6527 (3)0.6614 (3)0.0630 (8)
C200.76057 (14)0.5895 (3)0.5797 (2)0.0733 (9)
H200.72450.61310.51700.088*
C210.79948 (15)0.4945 (3)0.5901 (2)0.0657 (8)
C220.7884 (2)0.4254 (4)0.5043 (3)0.1032 (13)
H22A0.82590.43810.50210.155*
H22B0.74820.45410.44430.155*
H22C0.78410.33990.51190.155*
N10.85255 (11)0.4563 (2)0.68088 (18)0.0556 (6)
N20.90750 (11)0.1003 (2)0.66593 (18)0.0559 (6)
Cl1.02016 (4)0.34900 (7)0.89130 (6)0.0626 (2)
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Ag10.0886 (2)0.05781 (17)0.0895 (2)0.00676 (12)0.05550 (18)0.01013 (12)
C10.0527 (16)0.0663 (18)0.0553 (17)0.0098 (14)0.0330 (14)0.0095 (14)
C20.0563 (17)0.0606 (18)0.0576 (18)0.0122 (14)0.0336 (15)0.0037 (14)
C30.0412 (13)0.0462 (14)0.0550 (17)0.0042 (12)0.0221 (13)0.0023 (12)
C40.0664 (19)0.0499 (16)0.076 (2)0.0069 (15)0.0334 (18)0.0034 (15)
C50.074 (2)0.0536 (19)0.095 (3)0.0063 (17)0.039 (2)0.0074 (18)
C60.074 (2)0.073 (2)0.094 (3)0.0008 (18)0.052 (2)0.021 (2)
C70.074 (2)0.0618 (19)0.077 (2)0.0095 (16)0.0513 (18)0.0083 (16)
C80.0451 (14)0.0467 (14)0.0546 (16)0.0044 (12)0.0287 (13)0.0025 (12)
C90.0623 (17)0.0462 (15)0.0610 (18)0.0057 (13)0.0380 (16)0.0019 (13)
C110.108 (3)0.106 (3)0.089 (3)0.029 (2)0.075 (3)0.031 (2)
C130.0517 (16)0.0585 (17)0.0581 (18)0.0037 (13)0.0347 (15)0.0110 (14)
C140.0525 (16)0.0543 (16)0.0672 (19)0.0012 (13)0.0430 (15)0.0045 (13)
C150.081 (2)0.076 (2)0.078 (2)0.0013 (18)0.059 (2)0.0006 (17)
C160.116 (3)0.083 (2)0.126 (4)0.002 (2)0.100 (3)0.015 (2)
C170.093 (3)0.082 (3)0.157 (5)0.024 (2)0.093 (3)0.007 (3)
C180.063 (2)0.085 (2)0.120 (3)0.023 (2)0.055 (2)0.015 (2)
C190.0455 (15)0.0642 (18)0.083 (2)0.0042 (14)0.0398 (17)0.0071 (16)
C200.0434 (16)0.089 (2)0.064 (2)0.0047 (17)0.0189 (16)0.0024 (18)
C210.0507 (16)0.072 (2)0.066 (2)0.0088 (16)0.0302 (16)0.0099 (16)
C220.084 (3)0.123 (3)0.074 (3)0.004 (2)0.031 (2)0.032 (2)
N10.0539 (14)0.0516 (13)0.0652 (16)0.0017 (11)0.0375 (13)0.0003 (12)
N20.0576 (14)0.0499 (13)0.0619 (15)0.0044 (11)0.0363 (13)0.0054 (11)
Cl0.0729 (5)0.0537 (4)0.0638 (5)0.0028 (3)0.0419 (4)0.0020 (3)
Geometric parameters (Å, º) top
Ag1—N12.299 (2)C11—H11B0.9600
Ag1—N22.306 (3)C11—H11C0.9600
Ag1—Cl2.6612 (11)C13—N11.311 (4)
Ag1—Cli2.6671 (10)C13—C141.402 (4)
Ag1—Ag1i3.0630 (9)C13—H130.9300
C1—C21.368 (4)C14—C191.408 (4)
C1—N21.369 (4)C14—C151.417 (4)
C1—C111.497 (4)C15—C161.367 (5)
C2—C31.406 (4)C15—H150.9300
C2—H20.9300C16—C171.384 (7)
C3—C81.406 (4)C16—H160.9300
C3—C41.417 (4)C17—C181.352 (6)
C4—C51.353 (5)C17—H170.9300
C4—H40.9300C18—C191.411 (5)
C5—C61.391 (6)C18—H180.9300
C5—H50.9300C19—C201.400 (5)
C6—C71.362 (5)C20—C211.357 (4)
C6—H60.9300C20—H200.9300
C7—C81.407 (4)C21—N11.366 (4)
C7—H70.9300C21—C221.508 (5)
C8—C91.414 (4)C22—H22A0.9600
C9—N21.305 (4)C22—H22B0.9600
C9—H90.9300C22—H22C0.9600
C11—H11A0.9600
N1—Ag1—N2130.96 (8)H11B—C11—H11C109.5
N1—Ag1—Cl96.53 (7)N1—C13—C14124.5 (3)
N2—Ag1—Cl112.58 (7)N1—C13—H13117.7
N1—Ag1—Cli113.83 (6)C14—C13—H13117.7
N2—Ag1—Cli95.56 (6)C13—C14—C19117.2 (3)
Cl—Ag1—Cli106.02 (3)C13—C14—C15122.9 (3)
N1—Ag1—Ag1i132.26 (6)C19—C14—C15119.9 (3)
N2—Ag1—Ag1i96.67 (6)C16—C15—C14119.1 (4)
Cl—Ag1—Ag1i55.00 (2)C16—C15—H15120.5
Cli—Ag1—Ag1i54.82 (2)C14—C15—H15120.5
C2—C1—N2121.3 (3)C15—C16—C17120.5 (4)
C2—C1—C11122.9 (3)C15—C16—H16119.7
N2—C1—C11115.8 (3)C17—C16—H16119.7
C1—C2—C3120.8 (3)C18—C17—C16122.0 (4)
C1—C2—H2119.6C18—C17—H17119.0
C3—C2—H2119.6C16—C17—H17119.0
C2—C3—C8117.8 (2)C17—C18—C19119.7 (4)
C2—C3—C4124.3 (3)C17—C18—H18120.1
C8—C3—C4117.9 (3)C19—C18—H18120.1
C5—C4—C3120.6 (3)C20—C19—C14117.4 (3)
C5—C4—H4119.7C20—C19—C18123.9 (3)
C3—C4—H4119.7C14—C19—C18118.7 (3)
C4—C5—C6121.4 (3)C21—C20—C19121.4 (3)
C4—C5—H5119.3C21—C20—H20119.3
C6—C5—H5119.3C19—C20—H20119.3
C7—C6—C5119.7 (3)C20—C21—N1121.1 (3)
C7—C6—H6120.2C20—C21—C22123.4 (3)
C5—C6—H6120.2N1—C21—C22115.5 (3)
C6—C7—C8120.5 (3)C21—C22—H22A109.5
C6—C7—H7119.8C21—C22—H22B109.5
C8—C7—H7119.8H22A—C22—H22B109.5
C3—C8—C7119.9 (3)C21—C22—H22C109.5
C3—C8—C9116.8 (3)H22A—C22—H22C109.5
C7—C8—C9123.2 (3)H22B—C22—H22C109.5
N2—C9—C8124.8 (3)C13—N1—C21118.4 (2)
N2—C9—H9117.6C13—N1—Ag1118.93 (19)
C8—C9—H9117.6C21—N1—Ag1122.4 (2)
C1—C11—H11A109.5C9—N2—C1118.4 (2)
C1—C11—H11B109.5C9—N2—Ag1117.58 (18)
H11A—C11—H11B109.5C1—N2—Ag1122.77 (19)
C1—C11—H11C109.5Ag1—Cl—Ag1i70.18 (3)
H11A—C11—H11C109.5
N2—C1—C2—C30.4 (4)C19—C20—C21—C22178.6 (3)
C11—C1—C2—C3179.0 (3)C14—C13—N1—C210.5 (4)
C1—C2—C3—C81.1 (4)C14—C13—N1—Ag1175.03 (19)
C1—C2—C3—C4177.6 (3)C20—C21—N1—C130.9 (4)
C2—C3—C4—C5178.3 (3)C22—C21—N1—C13178.4 (3)
C8—C3—C4—C50.4 (4)C20—C21—N1—Ag1175.2 (2)
C3—C4—C5—C61.2 (5)C22—C21—N1—Ag14.1 (4)
C4—C5—C6—C70.7 (6)N2—Ag1—N1—C13118.9 (2)
C5—C6—C7—C80.6 (5)Cl—Ag1—N1—C138.7 (2)
C2—C3—C8—C7179.6 (3)Cli—Ag1—N1—C13119.47 (19)
C4—C3—C8—C70.9 (4)Ag1i—Ag1—N1—C1356.2 (2)
C2—C3—C8—C90.7 (4)N2—Ag1—N1—C2166.7 (2)
C4—C3—C8—C9178.0 (3)Cl—Ag1—N1—C21165.6 (2)
C6—C7—C8—C31.4 (5)Cli—Ag1—N1—C2154.9 (2)
C6—C7—C8—C9177.5 (3)Ag1i—Ag1—N1—C21118.1 (2)
C3—C8—C9—N20.4 (4)C8—C9—N2—C11.2 (4)
C7—C8—C9—N2178.4 (3)C8—C9—N2—Ag1166.6 (2)
N1—C13—C14—C190.2 (4)C2—C1—N2—C90.8 (4)
N1—C13—C14—C15179.6 (3)C11—C1—N2—C9179.8 (3)
C13—C14—C15—C16179.0 (3)C2—C1—N2—Ag1166.3 (2)
C19—C14—C15—C160.7 (4)C11—C1—N2—Ag113.1 (4)
C14—C15—C16—C170.9 (5)N1—Ag1—N2—C9126.5 (2)
C15—C16—C17—C180.9 (6)Cl—Ag1—N2—C9111.9 (2)
C16—C17—C18—C190.8 (6)Cli—Ag1—N2—C91.9 (2)
C13—C14—C19—C200.4 (4)Ag1i—Ag1—N2—C957.1 (2)
C15—C14—C19—C20179.3 (3)N1—Ag1—N2—C166.3 (3)
C13—C14—C19—C18179.2 (3)Cl—Ag1—N2—C155.4 (2)
C15—C14—C19—C180.6 (4)Cli—Ag1—N2—C1165.3 (2)
C17—C18—C19—C20179.2 (4)Ag1i—Ag1—N2—C1110.1 (2)
C17—C18—C19—C140.6 (5)N1—Ag1—Cl—Ag1i138.26 (6)
C14—C19—C20—C210.1 (5)N2—Ag1—Cl—Ag1i82.09 (7)
C18—C19—C20—C21178.7 (3)Cli—Ag1—Cl—Ag1i21.13 (3)
C19—C20—C21—N10.6 (5)
Symmetry code: (i) x+2, y, z+3/2.
 

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