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The asymmetric unit of the title compound, [Ag(C12H8N2)(C18H15P)]ClO4·0.5CH3CN, consists of two [Ag(phen)(PPh3)]+ complex cations (phen is 1,10-phenanthroline), two perchlorate anions and one acetonitrile solvent molecule. The AgI atoms assume a Y-shaped nearly planar geometry in which the metal ion is ligated by two phen N atoms and one P atom of a triphenyl­phosphine ligand. The two cations in the asymmetric unit are stacked in an inverse fashion through strong offset π–π stacking inter­actions with a face-to-face distance of 3.479 (2) Å, leading to accessible voids for acetonitrile solvent mol­ecules. The disordered solvent molecule could not be satisfactorily modelled and, therefore, it was eliminated from the final refinement.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536806055140/wm2075sup1.cif
Contains datablocks I, global

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536806055140/wm2075Isup2.hkl
Contains datablock I

CCDC reference: 637282

Key indicators

  • Single-crystal X-ray study
  • T = 180 K
  • Mean [sigma](C-C) = 0.007 Å
  • Some non-H atoms missing
  • R factor = 0.045
  • wR factor = 0.131
  • Data-to-parameter ratio = 20.1

checkCIF/PLATON results

No syntax errors found



Alert level B PLAT601_ALERT_2_B Structure Contains Solvent Accessible VOIDS of . 101.00 A   3
Alert level C CHEMW03_ALERT_2_C The ratio of given/expected molecular weight as calculated from the _atom_site* data lies outside the range 0.99 <> 1.01 From the CIF: _cell_formula_units_Z 8 From the CIF: _chemical_formula_weight 670.32 TEST: Calculate formula weight from _atom_site_* atom mass num sum C 12.01 30.00 360.33 H 1.01 23.00 23.18 N 14.01 2.00 28.01 O 16.00 4.00 64.00 P 30.97 1.00 30.97 Cl 35.45 1.00 35.45 Ag 107.87 1.00 107.87 Calculated formula weight 649.82 PLAT026_ALERT_3_C Ratio Observed / Unique Reflections too Low .... 47 Perc. PLAT041_ALERT_1_C Calc. and Rep. SumFormula Strings Differ .... ? PLAT043_ALERT_1_C Check Reported Molecular Weight ................ 670.32 PLAT044_ALERT_1_C Calculated and Reported Dx Differ .............. ? PLAT062_ALERT_4_C Rescale T(min) & T(max) by ..................... 0.98 PLAT068_ALERT_1_C Reported F000 Differs from Calcd (or Missing)... ? PLAT220_ALERT_2_C Large Non-Solvent C Ueq(max)/Ueq(min) ... 2.57 Ratio PLAT221_ALERT_4_C Large Solvent/Anion O Ueq(max)/Ueq(min) ... 3.41 Ratio PLAT230_ALERT_2_C Hirshfeld Test Diff for C235 - C236 .. 5.92 su PLAT244_ALERT_4_C Low 'Solvent' Ueq as Compared to Neighbors for Cl1 PLAT244_ALERT_4_C Low 'Solvent' Ueq as Compared to Neighbors for Cl2
Alert level G FORMU01_ALERT_2_G There is a discrepancy between the atom counts in the _chemical_formula_sum and the formula from the _atom_site* data. Atom count from _chemical_formula_sum:C31 H24.5 Ag1 Cl1 N2.5 O4 P1 Atom count from the _atom_site data: C30 H23 Ag1 Cl1 N2 O4 P1 CELLZ01_ALERT_1_G Difference between formula and atom_site contents detected. CELLZ01_ALERT_1_G ALERT: Large difference may be due to a symmetry error - see SYMMG tests From the CIF: _cell_formula_units_Z 8 From the CIF: _chemical_formula_sum C31 H24.50 Ag Cl N2.50 O4 P TEST: Compare cell contents of formula and atom_site data atom Z*formula cif sites diff C 248.00 240.00 8.00 H 196.00 184.00 12.00 Ag 8.00 8.00 0.00 Cl 8.00 8.00 0.00 N 20.00 16.00 4.00 O 32.00 32.00 0.00 P 8.00 8.00 0.00
0 ALERT level A = In general: serious problem 1 ALERT level B = Potentially serious problem 12 ALERT level C = Check and explain 3 ALERT level G = General alerts; check 6 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 5 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 4 ALERT type 4 Improvement, methodology, query or suggestion 0 ALERT type 5 Informative message, check

Computing details top

Data collection: CrysAlis CCD (Oxford Diffraction, 2006); cell refinement: CrysAlis RED (Oxford Diffraction, 2006); data reduction: CrysAlis RED; program(s) used to solve structure: SIR97 (Altomare et al., 1999); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ORTEPIII (Burnett & Johnson, 1996) and ORTEP-3 for Windows (Farrugia, 1997); software used to prepare material for publication: WinGX (Farrugia, 1999).

(1,10-Phenanthroline-κ2N,N')(triphenylphosphine-κP)silver(I) perchlorate acetonitrile hemisolvate top
Crystal data top
[Ag(C12H8N2)(C18H15P)]ClO4·0.5C2H3NF(000) = 2712
Mr = 670.32Dx = 1.588 Mg m3
Monoclinic, P21/cMo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ybcCell parameters from 6230 reflections
a = 16.6708 (12) Åθ = 2.6–32.2°
b = 22.9245 (17) ŵ = 0.91 mm1
c = 14.7068 (13) ÅT = 180 K
β = 94.063 (6)°Lath, colorless
V = 5606.4 (8) Å30.49 × 0.19 × 0.09 mm
Z = 8
Data collection top
Oxford Diffraction Xcalibur
diffractometer
13918 independent reflections
Radiation source: fine-focus sealed tube6516 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.061
Detector resolution: 8.2632 pixels mm-1θmax = 28.3°, θmin = 2.5°
ω and φ scansh = 2222
Absorption correction: multi-scan
(Blessing, 1995)
k = 2730
Tmin = 0.798, Tmax = 0.943l = 1918
50182 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)] = 0.045Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.131H-atom parameters constrained
S = 0.93 w = 1/[σ2(Fo2) + (0.0622P)2]
where P = (Fo2 + 2Fc2)/3
13918 reflections(Δ/σ)max = 0.005
691 parametersΔρmax = 0.79 e Å3
0 restraintsΔρmin = 1.18 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
Ag10.296318 (19)0.390574 (16)0.66223 (2)0.03907 (11)
P10.15703 (6)0.39742 (5)0.66687 (7)0.0280 (3)
N110.40999 (19)0.34109 (15)0.7063 (2)0.0301 (8)
N120.4021 (2)0.45575 (15)0.6475 (2)0.0320 (8)
C10.4790 (2)0.36862 (18)0.6870 (3)0.0267 (9)
C20.4750 (2)0.42836 (19)0.6573 (3)0.0294 (10)
C110.4148 (2)0.2864 (2)0.7387 (3)0.0349 (11)
H110.36660.26690.75170.042*
C120.4876 (3)0.25725 (19)0.7540 (3)0.0409 (12)
H120.48900.21900.77890.049*
C130.5573 (3)0.2842 (2)0.7329 (3)0.0409 (12)
H130.60720.26410.74120.049*
C140.5548 (2)0.34059 (19)0.6995 (3)0.0314 (10)
C150.6244 (3)0.3703 (2)0.6761 (3)0.0427 (12)
H150.67450.35050.68040.051*
C160.6216 (3)0.4270 (2)0.6473 (3)0.0453 (13)
H160.66960.44650.63370.054*
C170.5471 (3)0.4568 (2)0.6379 (3)0.0365 (11)
C180.5404 (3)0.5162 (2)0.6113 (3)0.0426 (12)
H180.58730.53750.59910.051*
C190.4670 (3)0.5428 (2)0.6031 (3)0.0461 (13)
H190.46220.58260.58540.055*
C200.3998 (3)0.5108 (2)0.6211 (3)0.0417 (12)
H200.34890.52950.61410.050*
C1110.1212 (2)0.37631 (18)0.7759 (3)0.0292 (10)
C1120.1680 (3)0.33881 (19)0.8311 (3)0.0388 (11)
H1120.21760.32480.81140.047*
C1130.1433 (3)0.3218 (2)0.9140 (3)0.0511 (14)
H1130.17550.29600.95170.061*
C1140.0709 (4)0.3423 (2)0.9424 (3)0.0533 (15)
H1140.05360.33070.99990.064*
C1150.0242 (3)0.3796 (2)0.8879 (3)0.0483 (14)
H1150.02550.39350.90730.058*
C1160.0501 (3)0.3966 (2)0.8042 (3)0.0393 (11)
H1160.01820.42250.76650.047*
C1210.1220 (2)0.47215 (18)0.6572 (3)0.0283 (10)
C1220.1728 (3)0.51529 (17)0.6932 (3)0.0282 (10)
H1220.22600.50540.71520.034*
C1230.1475 (3)0.5725 (2)0.6975 (3)0.0376 (11)
H1230.18260.60170.72350.045*
C1240.0702 (3)0.5871 (2)0.6634 (3)0.0405 (12)
H1240.05210.62630.66760.049*
C1250.0200 (3)0.5458 (2)0.6237 (3)0.0380 (11)
H1250.03200.55640.59870.046*
C1260.0451 (2)0.48817 (19)0.6202 (3)0.0331 (10)
H1260.01020.45950.59260.040*
C1310.0964 (3)0.35537 (18)0.5819 (3)0.0312 (10)
C1320.0231 (3)0.33155 (19)0.5980 (3)0.0391 (11)
H1320.00150.33680.65550.047*
C1330.0195 (3)0.2998 (2)0.5298 (4)0.0559 (15)
H1330.07050.28380.54050.067*
C1340.0123 (4)0.2916 (2)0.4476 (4)0.0603 (16)
H1340.01690.27000.40110.072*
C1350.0862 (4)0.3144 (2)0.4317 (3)0.0532 (15)
H1350.10770.30860.37420.064*
C1360.1295 (3)0.34585 (19)0.4984 (3)0.0409 (12)
H1360.18110.36080.48780.049*
Ag20.626182 (19)0.502897 (16)0.85031 (2)0.03757 (11)
P20.76434 (6)0.51658 (5)0.83445 (7)0.0267 (3)
N210.50283 (19)0.54628 (15)0.8461 (2)0.0328 (9)
N220.5377 (2)0.43461 (15)0.9012 (2)0.0335 (9)
C30.4418 (2)0.5119 (2)0.8724 (3)0.0336 (11)
C40.4595 (3)0.45293 (19)0.9009 (3)0.0311 (10)
C210.4855 (3)0.6004 (2)0.8203 (3)0.0463 (13)
H210.52760.62430.80070.056*
C220.4086 (3)0.6242 (2)0.8206 (3)0.0480 (13)
H220.39900.66340.80230.058*
C230.3483 (3)0.5910 (2)0.8470 (3)0.0460 (13)
H230.29570.60700.84760.055*
C240.3621 (2)0.5331 (2)0.8737 (3)0.0340 (11)
C250.3009 (3)0.4950 (2)0.9009 (3)0.0444 (13)
H250.24740.50920.90210.053*
C260.3169 (3)0.4397 (2)0.9249 (3)0.0474 (13)
H260.27430.41530.94140.057*
C270.3970 (3)0.4165 (2)0.9263 (3)0.0391 (12)
C280.4172 (3)0.3593 (2)0.9506 (3)0.0481 (13)
H280.37650.33310.96690.058*
C290.4952 (4)0.3408 (2)0.9511 (3)0.0528 (14)
H290.50940.30200.96840.063*
C300.5534 (3)0.3802 (2)0.9256 (3)0.0458 (13)
H300.60750.36700.92590.055*
C2110.7969 (2)0.49284 (17)0.7256 (3)0.0243 (9)
C2120.7797 (2)0.52923 (19)0.6507 (3)0.0302 (10)
H2120.75850.56720.65900.036*
C2130.7936 (3)0.5097 (2)0.5641 (3)0.0369 (11)
H2130.78160.53430.51290.044*
C2140.8246 (2)0.4550 (2)0.5516 (3)0.0362 (11)
H2140.83410.44210.49190.043*
C2150.8419 (2)0.4188 (2)0.6249 (3)0.0374 (11)
H2150.86300.38090.61590.045*
C2160.8283 (2)0.43779 (18)0.7116 (3)0.0290 (10)
H2160.84070.41290.76230.035*
C2210.8205 (2)0.47497 (18)0.9228 (3)0.0273 (9)
C2220.7970 (2)0.41727 (19)0.9364 (3)0.0333 (10)
H2220.75580.40020.89710.040*
C2230.8334 (3)0.3853 (2)1.0063 (3)0.0400 (11)
H2230.81890.34551.01310.048*
C2240.8904 (3)0.4096 (2)1.0668 (3)0.0409 (12)
H2240.91400.38711.11590.049*
C2250.9130 (3)0.4666 (2)1.0558 (3)0.0391 (11)
H2250.95190.48371.09790.047*
C2260.8790 (2)0.49949 (19)0.9829 (3)0.0314 (10)
H2260.89590.53860.97450.038*
C2310.7996 (3)0.59121 (18)0.8405 (3)0.0329 (10)
C2320.8770 (3)0.6064 (2)0.8175 (3)0.0404 (11)
H2320.91360.57660.80290.048*
C2330.9010 (4)0.6642 (2)0.8159 (3)0.0624 (10)
H2330.95390.67390.80110.075*
C2340.8487 (4)0.7071 (2)0.8354 (3)0.0624 (10)
H2340.86530.74670.83250.075*
C2350.7730 (4)0.6947 (2)0.8591 (4)0.0624 (10)
H2350.73780.72530.87390.075*
C2360.7473 (3)0.6364 (2)0.8613 (3)0.0477 (13)
H2360.69440.62750.87710.057*
Cl10.36517 (8)0.32393 (5)0.43762 (9)0.0478 (3)
O110.3348 (2)0.37324 (14)0.4850 (2)0.0554 (10)
O120.3196 (4)0.2759 (2)0.4467 (6)0.187 (4)
O130.3683 (4)0.3398 (2)0.3459 (3)0.130 (2)
O140.4464 (3)0.3133 (2)0.4656 (4)0.129 (2)
Cl20.82101 (9)0.24403 (7)0.72982 (12)0.0660 (4)
O210.8906 (3)0.2144 (2)0.7191 (4)0.127 (2)
O220.7547 (3)0.2069 (2)0.7289 (4)0.1169 (18)
O230.8215 (6)0.2777 (5)0.7991 (8)0.296 (7)
O240.8076 (4)0.2803 (4)0.6558 (8)0.257 (6)
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Ag10.02404 (18)0.0419 (2)0.0518 (2)0.00519 (15)0.00614 (15)0.00445 (18)
P10.0236 (5)0.0312 (7)0.0296 (6)0.0048 (5)0.0049 (5)0.0036 (5)
N110.0285 (19)0.029 (2)0.034 (2)0.0026 (15)0.0045 (15)0.0003 (16)
N120.033 (2)0.028 (2)0.035 (2)0.0050 (16)0.0009 (16)0.0021 (17)
C10.020 (2)0.032 (2)0.027 (2)0.0018 (18)0.0012 (17)0.0020 (19)
C20.025 (2)0.035 (3)0.028 (2)0.0029 (19)0.0015 (18)0.004 (2)
C110.028 (2)0.035 (3)0.041 (3)0.001 (2)0.002 (2)0.001 (2)
C120.046 (3)0.024 (3)0.052 (3)0.006 (2)0.002 (2)0.003 (2)
C130.034 (3)0.035 (3)0.054 (3)0.004 (2)0.002 (2)0.005 (2)
C140.021 (2)0.035 (3)0.037 (3)0.0027 (19)0.0020 (18)0.003 (2)
C150.023 (2)0.053 (3)0.052 (3)0.002 (2)0.002 (2)0.004 (3)
C160.023 (2)0.052 (3)0.061 (3)0.011 (2)0.005 (2)0.000 (3)
C170.035 (3)0.040 (3)0.035 (3)0.010 (2)0.005 (2)0.000 (2)
C180.053 (3)0.044 (3)0.031 (3)0.021 (2)0.006 (2)0.008 (2)
C190.068 (4)0.020 (3)0.051 (3)0.007 (2)0.008 (3)0.006 (2)
C200.050 (3)0.034 (3)0.041 (3)0.005 (2)0.004 (2)0.007 (2)
C1110.030 (2)0.029 (3)0.028 (2)0.0030 (19)0.0049 (18)0.0030 (18)
C1120.049 (3)0.028 (3)0.039 (3)0.014 (2)0.003 (2)0.001 (2)
C1130.085 (4)0.031 (3)0.034 (3)0.019 (3)0.014 (3)0.007 (2)
C1140.099 (5)0.034 (3)0.030 (3)0.029 (3)0.023 (3)0.003 (2)
C1150.073 (4)0.036 (3)0.041 (3)0.010 (3)0.031 (3)0.002 (2)
C1160.042 (3)0.037 (3)0.039 (3)0.001 (2)0.007 (2)0.002 (2)
C1210.026 (2)0.033 (3)0.026 (2)0.0027 (19)0.0081 (18)0.0002 (19)
C1220.034 (2)0.024 (2)0.027 (2)0.0008 (19)0.0081 (18)0.0013 (18)
C1230.038 (3)0.038 (3)0.037 (3)0.006 (2)0.005 (2)0.006 (2)
C1240.050 (3)0.032 (3)0.039 (3)0.010 (2)0.001 (2)0.002 (2)
C1250.033 (3)0.036 (3)0.045 (3)0.009 (2)0.000 (2)0.011 (2)
C1260.026 (2)0.036 (3)0.037 (3)0.0029 (19)0.0016 (19)0.003 (2)
C1310.033 (2)0.023 (2)0.036 (3)0.0085 (19)0.0009 (19)0.0003 (19)
C1320.033 (3)0.033 (3)0.051 (3)0.007 (2)0.000 (2)0.006 (2)
C1330.030 (3)0.043 (3)0.092 (5)0.007 (2)0.013 (3)0.000 (3)
C1340.085 (4)0.031 (3)0.060 (4)0.014 (3)0.028 (3)0.006 (3)
C1350.101 (5)0.023 (3)0.035 (3)0.021 (3)0.001 (3)0.001 (2)
C1360.064 (3)0.024 (3)0.036 (3)0.011 (2)0.011 (2)0.004 (2)
Ag20.02512 (18)0.0454 (2)0.0429 (2)0.00155 (16)0.00761 (14)0.00088 (17)
P20.0236 (5)0.0264 (6)0.0305 (6)0.0013 (4)0.0040 (5)0.0002 (5)
N210.0257 (19)0.029 (2)0.044 (2)0.0014 (16)0.0027 (16)0.0023 (18)
N220.039 (2)0.027 (2)0.036 (2)0.0013 (17)0.0093 (17)0.0003 (17)
C30.025 (2)0.055 (3)0.022 (2)0.005 (2)0.0015 (17)0.010 (2)
C40.034 (2)0.036 (3)0.024 (2)0.006 (2)0.0039 (18)0.0092 (19)
C210.036 (3)0.045 (3)0.058 (3)0.003 (2)0.008 (2)0.019 (3)
C220.043 (3)0.042 (3)0.060 (3)0.013 (2)0.003 (3)0.013 (3)
C230.034 (3)0.064 (4)0.040 (3)0.009 (3)0.006 (2)0.004 (3)
C240.029 (2)0.047 (3)0.027 (2)0.004 (2)0.0066 (19)0.006 (2)
C250.029 (2)0.073 (4)0.032 (3)0.003 (3)0.0067 (19)0.012 (3)
C260.033 (3)0.067 (4)0.043 (3)0.021 (3)0.010 (2)0.009 (3)
C270.047 (3)0.049 (3)0.023 (2)0.015 (2)0.007 (2)0.009 (2)
C280.063 (4)0.049 (4)0.033 (3)0.020 (3)0.009 (2)0.003 (2)
C290.080 (4)0.030 (3)0.049 (3)0.003 (3)0.008 (3)0.000 (2)
C300.052 (3)0.041 (3)0.045 (3)0.001 (2)0.009 (2)0.003 (2)
C2110.0190 (19)0.022 (2)0.032 (2)0.0018 (17)0.0016 (16)0.0027 (18)
C2120.028 (2)0.027 (2)0.036 (3)0.0017 (18)0.0022 (19)0.002 (2)
C2130.040 (3)0.036 (3)0.035 (3)0.009 (2)0.007 (2)0.008 (2)
C2140.035 (3)0.043 (3)0.032 (3)0.005 (2)0.009 (2)0.004 (2)
C2150.028 (2)0.046 (3)0.040 (3)0.004 (2)0.008 (2)0.007 (2)
C2160.024 (2)0.034 (3)0.029 (2)0.0078 (18)0.0005 (18)0.0023 (19)
C2210.022 (2)0.029 (2)0.032 (2)0.0012 (18)0.0084 (18)0.0001 (19)
C2220.029 (2)0.034 (3)0.037 (3)0.005 (2)0.0020 (19)0.004 (2)
C2230.044 (3)0.032 (3)0.045 (3)0.000 (2)0.015 (2)0.005 (2)
C2240.042 (3)0.050 (3)0.031 (3)0.008 (2)0.012 (2)0.008 (2)
C2250.032 (2)0.058 (3)0.027 (3)0.001 (2)0.0002 (19)0.000 (2)
C2260.026 (2)0.027 (2)0.042 (3)0.0051 (19)0.0070 (19)0.004 (2)
C2310.039 (3)0.029 (3)0.030 (2)0.001 (2)0.001 (2)0.0024 (19)
C2320.057 (3)0.029 (3)0.035 (3)0.011 (2)0.002 (2)0.000 (2)
C2330.098 (3)0.035 (2)0.050 (2)0.0111 (18)0.024 (2)0.0012 (15)
C2340.098 (3)0.035 (2)0.050 (2)0.0111 (18)0.024 (2)0.0012 (15)
C2350.098 (3)0.035 (2)0.050 (2)0.0111 (18)0.024 (2)0.0012 (15)
C2360.045 (3)0.051 (3)0.045 (3)0.012 (3)0.009 (2)0.002 (3)
Cl10.0557 (8)0.0367 (7)0.0522 (8)0.0097 (6)0.0129 (6)0.0060 (6)
O110.076 (3)0.046 (2)0.046 (2)0.0170 (18)0.0223 (18)0.0021 (17)
O120.158 (5)0.036 (3)0.387 (11)0.023 (3)0.149 (7)0.037 (4)
O130.212 (6)0.119 (5)0.058 (3)0.079 (4)0.013 (3)0.024 (3)
O140.091 (4)0.138 (5)0.153 (5)0.064 (3)0.035 (3)0.047 (4)
Cl20.0553 (9)0.0426 (9)0.1010 (13)0.0070 (7)0.0113 (8)0.0094 (9)
O210.096 (4)0.101 (4)0.187 (6)0.037 (3)0.037 (4)0.034 (4)
O220.080 (3)0.079 (4)0.191 (6)0.029 (3)0.002 (3)0.012 (3)
O230.246 (10)0.337 (13)0.321 (13)0.125 (9)0.131 (9)0.243 (12)
O240.159 (7)0.187 (8)0.431 (16)0.057 (6)0.060 (8)0.216 (10)
Geometric parameters (Å, º) top
Ag1—N112.264 (3)P2—C2111.811 (4)
Ag1—P12.3332 (11)P2—C2211.817 (4)
Ag1—N122.333 (3)N21—C211.324 (5)
P1—C1211.812 (4)N21—C31.365 (5)
P1—C1111.816 (4)N22—C301.319 (6)
P1—C1311.825 (4)N22—C41.369 (5)
N11—C111.341 (5)C3—C241.416 (6)
N11—C11.360 (5)C3—C41.440 (6)
N12—C201.320 (5)C4—C271.407 (6)
N12—C21.366 (5)C21—C221.394 (6)
C1—C141.418 (5)C21—H210.9500
C1—C21.438 (6)C22—C231.339 (6)
C2—C171.414 (6)C22—H220.9500
C11—C121.391 (6)C23—C241.399 (7)
C11—H110.9500C23—H230.9500
C12—C131.371 (6)C24—C251.423 (6)
C12—H120.9500C25—C261.337 (7)
C13—C141.383 (6)C25—H250.9500
C13—H130.9500C26—C271.437 (7)
C14—C151.408 (6)C26—H260.9500
C15—C161.367 (6)C27—C281.393 (7)
C15—H150.9500C28—C291.367 (7)
C16—C171.414 (6)C28—H280.9500
C16—H160.9500C29—C301.396 (7)
C17—C181.419 (7)C29—H290.9500
C18—C191.367 (7)C30—H300.9500
C18—H180.9500C211—C2161.387 (5)
C19—C201.380 (6)C211—C2121.396 (5)
C19—H190.9500C212—C2131.385 (6)
C20—H200.9500C212—H2120.9500
C111—C1161.365 (6)C213—C2141.373 (6)
C111—C1121.385 (6)C213—H2130.9500
C112—C1131.372 (6)C214—C2151.374 (6)
C112—H1120.9500C214—H2140.9500
C113—C1141.387 (7)C215—C2161.382 (6)
C113—H1130.9500C215—H2150.9500
C114—C1151.375 (7)C216—H2160.9500
C114—H1140.9500C221—C2261.388 (6)
C115—C1161.388 (6)C221—C2221.398 (6)
C115—H1150.9500C222—C2231.369 (6)
C116—H1160.9500C222—H2220.9500
C121—C1221.383 (6)C223—C2241.372 (6)
C121—C1261.405 (6)C223—H2230.9500
C122—C1231.382 (6)C224—C2251.373 (6)
C122—H1220.9500C224—H2240.9500
C123—C1241.389 (6)C225—C2261.398 (6)
C123—H1230.9500C225—H2250.9500
C124—C1251.368 (6)C226—H2260.9500
C124—H1240.9500C231—C2321.400 (6)
C125—C1261.387 (6)C231—C2361.401 (6)
C125—H1250.9500C232—C2331.387 (6)
C126—H1260.9500C232—H2320.9500
C131—C1321.374 (6)C233—C2341.357 (7)
C131—C1361.398 (6)C233—H2330.9500
C132—C1331.392 (7)C234—C2351.363 (7)
C132—H1320.9500C234—H2340.9500
C133—C1341.368 (8)C235—C2361.406 (7)
C133—H1330.9500C235—H2350.9500
C134—C1351.374 (7)C236—H2360.9500
C134—H1340.9500Cl1—O121.350 (5)
C135—C1361.380 (7)Cl1—O131.402 (5)
C135—H1350.9500Cl1—O141.409 (5)
C136—H1360.9500Cl1—O111.438 (3)
Ag2—N212.281 (3)Cl2—O231.278 (7)
Ag2—N222.311 (3)Cl2—O211.363 (5)
Ag2—P22.3524 (11)Cl2—O241.376 (8)
P2—C2311.809 (4)Cl2—O221.394 (4)
N11—Ag1—P1147.14 (9)C231—P2—Ag2115.98 (15)
N11—Ag1—N1274.01 (12)C211—P2—Ag2113.88 (13)
P1—Ag1—N12136.06 (9)C221—P2—Ag2108.49 (13)
C121—P1—C111101.32 (19)C21—N21—C3118.1 (4)
C121—P1—C131106.62 (19)C21—N21—Ag2126.5 (3)
C111—P1—C131105.23 (19)C3—N21—Ag2115.4 (3)
C121—P1—Ag1112.18 (14)C30—N22—C4117.5 (4)
C111—P1—Ag1113.48 (14)C30—N22—Ag2127.6 (3)
C131—P1—Ag1116.62 (14)C4—N22—Ag2114.9 (3)
C11—N11—C1118.6 (4)N21—C3—C24121.6 (4)
C11—N11—Ag1126.7 (3)N21—C3—C4118.9 (4)
C1—N11—Ag1114.3 (3)C24—C3—C4119.5 (4)
C20—N12—C2118.5 (4)N22—C4—C27122.7 (4)
C20—N12—Ag1129.3 (3)N22—C4—C3117.7 (4)
C2—N12—Ag1111.6 (3)C27—C4—C3119.6 (4)
N11—C1—C14121.5 (4)N21—C21—C22123.2 (4)
N11—C1—C2118.9 (4)N21—C21—H21118.4
C14—C1—C2119.5 (4)C22—C21—H21118.4
N12—C2—C17122.0 (4)C23—C22—C21119.3 (5)
N12—C2—C1119.5 (4)C23—C22—H22120.3
C17—C2—C1118.6 (4)C21—C22—H22120.3
N11—C11—C12122.4 (4)C22—C23—C24120.4 (4)
N11—C11—H11118.8C22—C23—H23119.8
C12—C11—H11118.8C24—C23—H23119.8
C13—C12—C11119.4 (4)C23—C24—C3117.3 (4)
C13—C12—H12120.3C23—C24—C25123.6 (4)
C11—C12—H12120.3C3—C24—C25119.0 (4)
C12—C13—C14119.8 (4)C26—C25—C24121.5 (4)
C12—C13—H13120.1C26—C25—H25119.2
C14—C13—H13120.1C24—C25—H25119.2
C13—C14—C15122.3 (4)C25—C26—C27121.5 (4)
C13—C14—C1118.3 (4)C25—C26—H26119.2
C15—C14—C1119.4 (4)C27—C26—H26119.2
C16—C15—C14121.7 (4)C28—C27—C4117.2 (5)
C16—C15—H15119.1C28—C27—C26124.0 (4)
C14—C15—H15119.1C4—C27—C26118.8 (5)
C15—C16—C17119.9 (4)C29—C28—C27120.4 (5)
C15—C16—H16120.0C29—C28—H28119.8
C17—C16—H16120.0C27—C28—H28119.8
C2—C17—C16120.7 (4)C28—C29—C30118.5 (5)
C2—C17—C18116.5 (4)C28—C29—H29120.8
C16—C17—C18122.7 (4)C30—C29—H29120.8
C19—C18—C17120.4 (4)N22—C30—C29123.8 (5)
C19—C18—H18119.8N22—C30—H30118.1
C17—C18—H18119.8C29—C30—H30118.1
C18—C19—C20118.6 (4)C216—C211—C212119.1 (4)
C18—C19—H19120.7C216—C211—P2123.0 (3)
C20—C19—H19120.7C212—C211—P2117.4 (3)
N12—C20—C19123.9 (5)C213—C212—C211119.6 (4)
N12—C20—H20118.0C213—C212—H212120.2
C19—C20—H20118.0C211—C212—H212120.2
C116—C111—C112119.9 (4)C214—C213—C212120.5 (4)
C116—C111—P1121.7 (3)C214—C213—H213119.8
C112—C111—P1118.4 (3)C212—C213—H213119.8
C113—C112—C111120.3 (5)C213—C214—C215120.4 (4)
C113—C112—H112119.8C213—C214—H214119.8
C111—C112—H112119.8C215—C214—H214119.8
C112—C113—C114119.6 (5)C214—C215—C216119.7 (4)
C112—C113—H113120.2C214—C215—H215120.2
C114—C113—H113120.2C216—C215—H215120.2
C115—C114—C113120.2 (4)C215—C216—C211120.7 (4)
C115—C114—H114119.9C215—C216—H216119.6
C113—C114—H114119.9C211—C216—H216119.6
C114—C115—C116119.5 (5)C226—C221—C222118.9 (4)
C114—C115—H115120.2C226—C221—P2123.1 (3)
C116—C115—H115120.2C222—C221—P2117.7 (3)
C111—C116—C115120.4 (5)C223—C222—C221120.1 (4)
C111—C116—H116119.8C223—C222—H222120.0
C115—C116—H116119.8C221—C222—H222120.0
C122—C121—C126118.6 (4)C222—C223—C224121.2 (4)
C122—C121—P1117.4 (3)C222—C223—H223119.4
C126—C121—P1123.9 (3)C224—C223—H223119.4
C123—C122—C121121.1 (4)C223—C224—C225119.5 (4)
C123—C122—H122119.5C223—C224—H224120.2
C121—C122—H122119.5C225—C224—H224120.2
C122—C123—C124119.4 (4)C224—C225—C226120.3 (4)
C122—C123—H123120.3C224—C225—H225119.9
C124—C123—H123120.3C226—C225—H225119.9
C125—C124—C123120.7 (4)C221—C226—C225119.9 (4)
C125—C124—H124119.6C221—C226—H226120.1
C123—C124—H124119.6C225—C226—H226120.1
C124—C125—C126119.9 (4)C232—C231—C236117.9 (4)
C124—C125—H125120.0C232—C231—P2121.6 (3)
C126—C125—H125120.0C236—C231—P2120.3 (4)
C125—C126—C121120.2 (4)C233—C232—C231120.9 (5)
C125—C126—H126119.9C233—C232—H232119.6
C121—C126—H126119.9C231—C232—H232119.6
C132—C131—C136120.0 (4)C234—C233—C232120.0 (6)
C132—C131—P1123.2 (3)C234—C233—H233120.0
C136—C131—P1116.7 (3)C232—C233—H233120.0
C131—C132—C133119.9 (5)C233—C234—C235121.5 (6)
C131—C132—H132120.0C233—C234—H234119.2
C133—C132—H132120.0C235—C234—H234119.2
C134—C133—C132119.9 (5)C234—C235—C236119.5 (6)
C134—C133—H133120.1C234—C235—H235120.2
C132—C133—H133120.1C236—C235—H235120.2
C133—C134—C135120.5 (5)C231—C236—C235120.2 (5)
C133—C134—H134119.8C231—C236—H236119.9
C135—C134—H134119.8C235—C236—H236119.9
C134—C135—C136120.5 (5)O12—Cl1—O13111.5 (5)
C134—C135—H135119.7O12—Cl1—O14111.5 (4)
C136—C135—H135119.7O13—Cl1—O14103.0 (4)
C135—C136—C131119.2 (5)O12—Cl1—O11112.0 (3)
C135—C136—H136120.4O13—Cl1—O11107.5 (2)
C131—C136—H136120.4O14—Cl1—O11111.0 (3)
N21—Ag2—N2273.11 (12)O23—Cl2—O21115.8 (6)
N21—Ag2—P2145.71 (9)O23—Cl2—O24104.9 (8)
N22—Ag2—P2140.72 (10)O21—Cl2—O24107.6 (4)
C231—P2—C211102.17 (18)O23—Cl2—O22109.6 (5)
C231—P2—C221108.2 (2)O21—Cl2—O22112.1 (3)
C211—P2—C221107.66 (18)O24—Cl2—O22106.1 (5)
 

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