Literature DB >> 22219773

Tris(3-amino-5,6-dimethyl-1,2,4-triazine-κN)silver(I) trifluromethane-sulfonate-3-amino-5,6-dimethyl-1,2,4-triazine (1/1).

Yu-Hang Jiang, Li-Na Cui, Xu Huang, Qiong-Hua Jin, Cun-Lin Zhang.   

Abstract

The asymmetric unit of the title compound, [Ag(C(5)H(8)N(4))(3)](CF(3)O(3)S)·C(5)H(8)N(4), contains two cations, two anions and two uncoordinated 3-amino-5,6-dimethyl-1,2,4-triazine (admt) ligands. It was prepared from the reaction of silver trifluoro-methane-sulfonate and admt in a 2:3 molar ratio. Both silver(I) ions are bonded to three admt mol-ecules via their 2-position triazine N atoms in almost regular trigonal-planar geometries. Three intra-molecular N-H⋯N hydrogen bonds between adjacent admt mol-ecules in each cation help to maintain their overall near planarities (r.m.s. deviations for the 28 non-H atoms = 0.139 and 0.153 Å). In the crystal, numerous N-H⋯N, N-H⋯O, C-H⋯O, C-H⋯N and C-H⋯F hydrogen-bonding interactions link the components into a three-dimensional network.

Entities:  

Year:  2011        PMID: 22219773      PMCID: PMC3246953          DOI: 10.1107/S1600536811040748

Source DB:  PubMed          Journal:  Acta Crystallogr Sect E Struct Rep Online        ISSN: 1600-5368


Related literature

For background to the properties and applications of silver complexes, see: Jin et al. (2010a ▶,b ▶); Effendy et al. (2007 ▶). Sang & Xu (2006 ▶). For related structures, see: Self et al. (1991 ▶); Wang & Cheng (2007 ▶); Liu et al. (2002 ▶); Jiang et al. (2011 ▶).

Experimental

Crystal data

[Ag(C5H8N4)3](CF3O3S)·C5H8N4 M = 753.56 Triclinic, a = 13.9357 (14) Å b = 15.1693 (15) Å c = 16.2257 (17) Å α = 76.735 (1)° β = 72.565 (1)° γ = 81.201 (2)° V = 3172.0 (6) Å3 Z = 4 Mo Kα radiation μ = 0.77 mm−1 T = 298 K 0.45 × 0.27 × 0.23 mm

Data collection

Bruker SMART CCD diffractometer Absorption correction: multi-scan (SADABS; Bruker, 2007 ▶) T min = 0.723, T max = 0.843 16692 measured reflections 11051 independent reflections 4939 reflections with I > 2σ(I) R int = 0.051

Refinement

R[F 2 > 2σ(F 2)] = 0.069 wR(F 2) = 0.192 S = 1.05 11051 reflections 827 parameters H-atom parameters constrained Δρmax = 0.91 e Å−3 Δρmin = −0.62 e Å−3 Data collection: SMART (Bruker, 2007 ▶); cell refinement: SAINT-Plus (Bruker, 2007 ▶); data reduction: SAINT-Plus; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008 ▶); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008 ▶); molecular graphics: SHELXTL (Sheldrick, 2008 ▶); software used to prepare material for publication: SHELXTL. Crystal structure: contains datablock(s) global, I. DOI: 10.1107/S1600536811040748/hb6434sup1.cif Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536811040748/hb6434Isup2.hkl Additional supplementary materials: crystallographic information; 3D view; checkCIF report
[Ag(C5H8N4)3](CF3O3S)·C5H8N4Z = 4
Mr = 753.56F(000) = 1536
Triclinic, P1Dx = 1.578 Mg m3
Hall symbol: -P 1Mo Kα radiation, λ = 0.71073 Å
a = 13.9357 (14) ÅCell parameters from 2772 reflections
b = 15.1693 (15) Åθ = 2.7–20.9°
c = 16.2257 (17) ŵ = 0.77 mm1
α = 76.735 (1)°T = 298 K
β = 72.565 (1)°Prism, yellow
γ = 81.201 (2)°0.45 × 0.27 × 0.23 mm
V = 3172.0 (6) Å3
Bruker SMART CCD diffractometer11051 independent reflections
Radiation source: fine-focus sealed tube4939 reflections with I > 2σ(I)
graphiteRint = 0.051
φ and ω scansθmax = 25.0°, θmin = 2.6°
Absorption correction: multi-scan (SADABS; Bruker, 2007)h = −16→16
Tmin = 0.723, Tmax = 0.843k = −18→17
16692 measured reflectionsl = −19→19
Refinement on F2Primary atom site location: structure-invariant direct methods
Least-squares matrix: fullSecondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.069Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.192H-atom parameters constrained
S = 1.05w = 1/[σ2(Fo2) + (0.0693P)2] where P = (Fo2 + 2Fc2)/3
11051 reflections(Δ/σ)max = 0.001
827 parametersΔρmax = 0.91 e Å3
0 restraintsΔρmin = −0.62 e Å3
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.
xyzUiso*/Ueq
Ag10.85834 (6)0.57530 (4)0.44760 (4)0.0605 (3)
Ag20.62635 (6)0.57511 (4)0.39966 (4)0.0590 (3)
F10.3350 (8)−0.0570 (6)0.2406 (5)0.163 (4)
F20.2818 (8)0.0807 (7)0.2091 (6)0.190 (5)
F30.4294 (9)0.0428 (6)0.1604 (6)0.195 (5)
F40.7901 (9)0.1723 (6)0.0993 (7)0.198 (5)
F50.8296 (10)0.2132 (7)−0.0413 (7)0.211 (5)
F60.9350 (11)0.1606 (7)0.0250 (7)0.236 (7)
N10.9816 (5)0.4714 (5)0.3048 (5)0.0559 (19)
N20.9583 (5)0.4562 (5)0.3925 (4)0.0520 (19)
N31.0454 (5)0.3090 (5)0.3950 (5)0.058 (2)
N40.9681 (5)0.3603 (4)0.5234 (4)0.059 (2)
H4A0.93430.40180.55160.071*
H4B0.98780.30890.55170.071*
N50.8133 (5)0.4731 (4)0.6360 (4)0.0486 (18)
N60.7866 (5)0.5570 (4)0.5936 (4)0.0492 (18)
N70.7011 (5)0.5999 (5)0.7311 (4)0.0513 (19)
N80.7078 (5)0.7007 (5)0.6006 (4)0.0558 (19)
H8A0.72790.71500.54410.067*
H8B0.67250.74030.63060.067*
N90.7701 (6)0.7679 (5)0.3997 (5)0.063 (2)
N100.8303 (5)0.7047 (5)0.3552 (4)0.0539 (19)
N110.8486 (6)0.8106 (6)0.2206 (5)0.066 (2)
N120.9279 (6)0.6665 (5)0.2261 (5)0.070 (2)
H12A0.95320.67940.16990.084*
H12B0.94140.61340.25510.084*
N130.7109 (6)0.6255 (5)0.2021 (4)0.061 (2)
N140.6504 (6)0.6667 (5)0.2660 (4)0.0538 (19)
N150.6378 (6)0.8034 (5)0.1625 (5)0.068 (2)
N160.5526 (6)0.7949 (5)0.3078 (5)0.067 (2)
H16A0.52990.85080.29500.081*
H16B0.53570.76540.36120.081*
N170.5076 (5)0.7193 (5)0.5054 (4)0.0526 (19)
N180.5390 (5)0.6308 (4)0.5218 (4)0.0443 (17)
N190.4663 (5)0.6253 (5)0.6749 (4)0.0463 (17)
N200.5450 (5)0.4976 (4)0.6228 (4)0.0516 (19)
H20A0.57660.46940.58070.062*
H20B0.53120.46840.67650.062*
N210.6949 (5)0.3913 (5)0.4975 (4)0.0482 (18)
N220.7082 (5)0.4332 (4)0.4127 (4)0.0491 (18)
N230.8044 (5)0.2997 (5)0.3675 (5)0.0542 (19)
N240.7741 (5)0.4263 (5)0.2654 (4)0.061 (2)
H24A0.80710.39740.22420.074*
H24B0.74830.48120.25230.074*
N250.4412 (6)0.6771 (6)0.1733 (5)0.070 (2)
N260.4880 (6)0.5936 (6)0.1872 (4)0.064 (2)
N270.5599 (6)0.6042 (6)0.0330 (5)0.074 (2)
N280.5937 (6)0.4778 (6)0.1324 (5)0.085 (3)
H28A0.58710.44740.18520.102*
H28B0.63150.45490.08840.102*
N291.0542 (8)0.8444 (7)0.3046 (7)0.095 (3)
N301.0023 (7)0.8291 (6)0.3872 (7)0.086 (3)
N310.9240 (7)0.9816 (6)0.3714 (7)0.092 (3)
N320.8858 (7)0.8821 (6)0.5052 (6)0.099 (3)
H32A0.84340.92410.52670.119*
H32B0.89370.82980.53810.119*
O10.3892 (7)0.1421 (5)0.3072 (5)0.115 (3)
O20.2964 (7)0.0192 (6)0.3926 (5)0.139 (3)
O30.4723 (7)−0.0104 (5)0.3231 (6)0.129 (3)
O40.8797 (9)0.3176 (7)0.1157 (6)0.169 (4)
O50.7677 (10)0.3640 (8)0.0392 (7)0.214 (6)
O60.9379 (8)0.3509 (6)−0.0429 (5)0.149 (4)
S10.3813 (2)0.04741 (18)0.32365 (17)0.0701 (8)
S20.8694 (3)0.3218 (2)0.03687 (17)0.0847 (10)
C10.9898 (7)0.3756 (6)0.4356 (6)0.052 (2)
C21.0662 (7)0.3246 (6)0.3096 (7)0.065 (3)
C31.0311 (7)0.4084 (7)0.2618 (6)0.058 (3)
C41.1296 (8)0.2516 (7)0.2610 (7)0.103 (4)
H4C1.19780.26770.23610.154*
H4D1.10210.24680.21470.154*
H4E1.12890.19440.30130.154*
C51.0511 (8)0.4285 (7)0.1647 (6)0.084 (3)
H5A1.02560.49000.14580.127*
H5B1.01810.38750.14740.127*
H5C1.12260.42110.13790.127*
C60.7315 (6)0.6171 (6)0.6418 (5)0.048 (2)
C70.7255 (7)0.5173 (6)0.7707 (5)0.052 (2)
C80.7839 (6)0.4525 (6)0.7222 (5)0.049 (2)
C90.6924 (8)0.4960 (6)0.8691 (5)0.077 (3)
H9A0.64670.54520.89040.115*
H9B0.75040.48830.89130.115*
H9C0.65910.44100.88880.115*
C100.8154 (7)0.3597 (6)0.7640 (5)0.070 (3)
H10A0.85260.32600.71920.105*
H10B0.75680.32960.79970.105*
H10C0.85750.36330.80020.105*
C110.8691 (7)0.7275 (7)0.2671 (6)0.059 (3)
C120.7896 (8)0.8702 (7)0.2633 (7)0.067 (3)
C130.7515 (8)0.8503 (7)0.3542 (7)0.065 (3)
C140.7622 (9)0.9608 (6)0.2120 (7)0.098 (4)
H14A0.81020.97110.15500.147*
H14B0.76271.00750.24280.147*
H14C0.69590.96180.20510.147*
C150.6843 (8)0.9157 (6)0.4067 (7)0.084 (3)
H15A0.66150.88580.46710.126*
H15B0.62720.93780.38390.126*
H15C0.72100.96590.40290.126*
C160.6146 (7)0.7535 (7)0.2442 (6)0.061 (3)
C170.7000 (8)0.7623 (8)0.1020 (6)0.074 (3)
C180.7366 (7)0.6708 (7)0.1215 (6)0.064 (3)
C190.7335 (10)0.8184 (8)0.0091 (6)0.116 (5)
H19A0.70580.88040.00900.175*
H19B0.70990.7942−0.03020.175*
H19C0.80590.8160−0.00990.175*
C200.8052 (8)0.6208 (7)0.0535 (6)0.096 (4)
H20C0.82170.55950.08110.144*
H20D0.86590.65080.02600.144*
H20E0.77180.61980.00980.144*
C210.5172 (6)0.5868 (6)0.6048 (5)0.046 (2)
C220.4371 (6)0.7125 (6)0.6571 (5)0.048 (2)
C230.4594 (6)0.7599 (6)0.5694 (5)0.050 (2)
C240.3812 (7)0.7587 (6)0.7333 (5)0.071 (3)
H24C0.36650.71390.78670.107*
H24D0.31930.79010.72320.107*
H24E0.42230.80140.73830.107*
C250.4255 (7)0.8606 (5)0.5461 (6)0.070 (3)
H25A0.44860.88120.48360.105*
H25B0.45330.89450.57520.105*
H25C0.35310.86940.56490.105*
C260.7627 (6)0.3861 (6)0.3496 (5)0.049 (2)
C270.7902 (7)0.2612 (6)0.4510 (6)0.053 (2)
C280.7321 (7)0.3089 (6)0.5175 (6)0.052 (2)
C290.8393 (7)0.1653 (6)0.4724 (6)0.076 (3)
H29A0.86380.14030.41990.114*
H29B0.79050.12800.51540.114*
H29C0.89470.16700.49560.114*
C300.7119 (7)0.2661 (6)0.6133 (5)0.072 (3)
H30A0.67540.31020.64810.108*
H30B0.77480.24530.62730.108*
H30C0.67250.21560.62590.108*
C310.5450 (8)0.5607 (7)0.1187 (6)0.068 (3)
C320.5135 (8)0.6842 (7)0.0203 (6)0.075 (3)
C330.4539 (8)0.7238 (7)0.0937 (7)0.073 (3)
C340.5243 (10)0.7321 (8)−0.0731 (7)0.119 (5)
H34A0.55190.6895−0.11160.179*
H34B0.56860.7793−0.08770.179*
H34C0.45920.7583−0.07990.179*
C350.4012 (9)0.8178 (8)0.0817 (7)0.112 (4)
H35A0.35540.82110.04700.168*
H35B0.45030.86100.05220.168*
H35C0.36430.83160.13820.168*
C360.9397 (10)0.8981 (8)0.4200 (8)0.085 (3)
C370.9790 (10)0.9965 (8)0.2892 (9)0.096 (4)
C381.0467 (10)0.9251 (10)0.2541 (9)0.097 (4)
C390.9637 (11)1.0926 (8)0.2341 (9)0.141 (6)
H39A0.89281.10980.24190.212*
H39B0.99641.09230.17300.212*
H39C0.99241.13530.25310.212*
C401.1061 (11)0.9389 (9)0.1612 (9)0.152 (6)
H40A1.14350.88270.14850.228*
H40B1.15200.98410.15020.228*
H40C1.06140.95890.12420.228*
C410.3497 (14)0.0270 (10)0.2315 (10)0.119 (5)
C420.8448 (17)0.2119 (12)0.0317 (11)0.141 (6)
U11U22U33U12U13U23
Ag10.0740 (6)0.0538 (5)0.0445 (4)0.0110 (4)−0.0075 (4)−0.0140 (3)
Ag20.0749 (6)0.0506 (4)0.0435 (4)0.0070 (4)−0.0073 (4)−0.0135 (3)
F10.252 (11)0.104 (6)0.166 (8)−0.009 (7)−0.089 (7)−0.056 (5)
F20.249 (12)0.172 (9)0.200 (9)0.077 (8)−0.161 (10)−0.068 (7)
F30.287 (14)0.167 (8)0.085 (6)0.017 (9)−0.001 (7)−0.027 (5)
F40.245 (13)0.124 (7)0.176 (9)−0.063 (8)0.002 (9)0.019 (6)
F50.319 (16)0.196 (10)0.153 (9)−0.064 (10)−0.087 (10)−0.047 (7)
F60.284 (15)0.157 (9)0.183 (10)0.088 (10)−0.005 (10)−0.017 (7)
N10.052 (5)0.061 (5)0.054 (5)−0.003 (4)−0.008 (4)−0.020 (4)
N20.048 (5)0.060 (5)0.052 (5)0.002 (4)−0.010 (4)−0.027 (4)
N30.052 (5)0.059 (5)0.068 (5)0.007 (4)−0.015 (4)−0.033 (4)
N40.067 (6)0.047 (4)0.054 (5)0.018 (4)−0.014 (4)−0.014 (3)
N50.045 (5)0.049 (4)0.046 (4)−0.001 (4)−0.006 (3)−0.010 (3)
N60.058 (5)0.044 (4)0.040 (4)0.002 (4)−0.003 (4)−0.017 (3)
N70.049 (5)0.060 (5)0.042 (4)−0.005 (4)−0.003 (4)−0.018 (4)
N80.057 (5)0.056 (5)0.049 (4)0.010 (4)−0.007 (4)−0.018 (4)
N90.066 (6)0.056 (5)0.066 (5)0.005 (4)−0.019 (4)−0.019 (4)
N100.055 (5)0.051 (5)0.055 (5)−0.002 (4)−0.019 (4)−0.006 (4)
N110.063 (6)0.069 (6)0.063 (5)−0.008 (5)−0.024 (4)0.004 (5)
N120.067 (6)0.077 (6)0.050 (5)−0.001 (5)0.002 (4)−0.010 (4)
N130.067 (6)0.074 (5)0.041 (4)−0.002 (4)−0.012 (4)−0.017 (4)
N140.060 (5)0.060 (5)0.044 (4)−0.006 (4)−0.017 (4)−0.013 (4)
N150.082 (7)0.071 (5)0.048 (5)−0.009 (5)−0.020 (5)0.002 (4)
N160.083 (6)0.057 (5)0.056 (5)0.010 (5)−0.021 (4)−0.009 (4)
N170.056 (5)0.048 (5)0.052 (4)0.006 (4)−0.013 (4)−0.016 (4)
N180.046 (5)0.049 (4)0.036 (4)0.006 (4)−0.006 (3)−0.018 (3)
N190.046 (5)0.051 (4)0.042 (4)0.000 (4)−0.009 (3)−0.017 (3)
N200.056 (5)0.050 (5)0.039 (4)0.003 (4)−0.001 (3)−0.012 (3)
N210.045 (5)0.051 (5)0.048 (4)0.010 (4)−0.016 (4)−0.016 (4)
N220.046 (5)0.048 (4)0.053 (4)0.003 (4)−0.010 (4)−0.018 (4)
N230.050 (5)0.052 (5)0.065 (5)0.006 (4)−0.016 (4)−0.027 (4)
N240.066 (6)0.068 (5)0.046 (4)0.009 (4)−0.007 (4)−0.023 (4)
N250.077 (6)0.077 (6)0.058 (5)0.000 (5)−0.012 (5)−0.030 (5)
N260.068 (6)0.075 (6)0.049 (5)0.004 (5)−0.014 (4)−0.023 (4)
N270.084 (7)0.076 (6)0.048 (5)0.009 (5)−0.008 (4)−0.011 (4)
N280.113 (8)0.075 (6)0.053 (5)0.023 (6)−0.011 (5)−0.019 (4)
N290.089 (8)0.090 (8)0.101 (8)0.015 (6)−0.028 (7)−0.025 (6)
N300.083 (7)0.071 (6)0.098 (7)0.014 (6)−0.027 (6)−0.015 (6)
N310.102 (8)0.071 (6)0.098 (7)0.007 (6)−0.033 (7)−0.010 (6)
N320.098 (8)0.084 (7)0.099 (7)0.028 (6)−0.021 (6)−0.017 (6)
O10.150 (8)0.069 (5)0.138 (7)0.010 (5)−0.045 (6)−0.048 (5)
O20.143 (8)0.122 (7)0.111 (7)−0.015 (6)0.033 (6)−0.033 (5)
O30.135 (8)0.108 (6)0.152 (8)0.066 (6)−0.067 (6)−0.053 (5)
O40.227 (12)0.205 (11)0.095 (7)−0.073 (9)−0.031 (7)−0.049 (7)
O50.198 (13)0.191 (11)0.171 (10)0.092 (10)−0.010 (9)0.000 (8)
O60.182 (10)0.146 (8)0.084 (6)−0.048 (7)0.026 (6)−0.017 (5)
S10.087 (2)0.0575 (17)0.0635 (16)0.0187 (16)−0.0222 (15)−0.0228 (13)
S20.122 (3)0.0719 (19)0.0451 (15)−0.0117 (19)0.0017 (17)−0.0132 (13)
C10.048 (6)0.055 (6)0.058 (6)0.001 (5)−0.015 (5)−0.021 (5)
C20.056 (7)0.061 (7)0.082 (7)0.005 (5)−0.010 (6)−0.042 (6)
C30.053 (7)0.073 (7)0.057 (6)−0.006 (5)−0.011 (5)−0.036 (5)
C40.109 (10)0.091 (8)0.107 (9)0.016 (7)−0.010 (7)−0.062 (7)
C50.089 (9)0.103 (8)0.058 (6)−0.008 (7)0.000 (6)−0.036 (6)
C60.044 (6)0.054 (6)0.047 (5)0.000 (5)−0.010 (4)−0.017 (4)
C70.056 (6)0.056 (6)0.043 (5)−0.003 (5)−0.009 (4)−0.013 (4)
C80.049 (6)0.055 (6)0.040 (5)0.005 (5)−0.011 (4)−0.014 (4)
C90.090 (8)0.088 (7)0.049 (6)−0.009 (6)−0.007 (5)−0.021 (5)
C100.067 (7)0.075 (7)0.054 (6)0.007 (6)−0.006 (5)−0.004 (5)
C110.063 (7)0.063 (7)0.054 (6)−0.005 (6)−0.024 (5)−0.011 (5)
C120.070 (8)0.057 (7)0.075 (7)−0.013 (6)−0.031 (6)0.007 (6)
C130.068 (8)0.057 (6)0.075 (7)0.006 (6)−0.033 (6)−0.011 (5)
C140.112 (10)0.067 (7)0.107 (9)−0.007 (7)−0.043 (8)0.017 (6)
C150.085 (8)0.060 (7)0.105 (8)0.030 (6)−0.036 (7)−0.023 (6)
C160.067 (7)0.071 (7)0.047 (6)−0.003 (6)−0.024 (5)−0.004 (5)
C170.079 (8)0.091 (8)0.050 (6)−0.013 (7)−0.020 (6)−0.002 (6)
C180.065 (7)0.077 (7)0.045 (6)−0.002 (6)−0.009 (5)−0.016 (5)
C190.139 (12)0.121 (10)0.070 (8)−0.018 (9)−0.022 (8)0.016 (7)
C200.103 (10)0.117 (9)0.057 (6)−0.010 (8)−0.002 (6)−0.020 (6)
C210.045 (6)0.054 (6)0.039 (5)−0.005 (5)−0.007 (4)−0.019 (4)
C220.043 (6)0.057 (6)0.049 (5)0.004 (5)−0.010 (4)−0.028 (4)
C230.044 (6)0.054 (6)0.052 (5)0.008 (5)−0.013 (4)−0.019 (5)
C240.077 (8)0.070 (6)0.059 (6)0.011 (6)−0.006 (5)−0.025 (5)
C250.079 (8)0.056 (6)0.064 (6)0.017 (6)−0.012 (5)−0.016 (5)
C260.044 (6)0.052 (6)0.053 (6)0.000 (5)−0.009 (4)−0.024 (5)
C270.056 (6)0.045 (5)0.063 (6)0.001 (5)−0.021 (5)−0.018 (5)
C280.048 (6)0.051 (6)0.060 (6)0.003 (5)−0.019 (5)−0.019 (5)
C290.079 (8)0.059 (6)0.089 (7)0.007 (6)−0.019 (6)−0.025 (5)
C300.074 (8)0.068 (6)0.062 (6)0.015 (6)−0.014 (5)−0.011 (5)
C310.084 (8)0.071 (7)0.044 (6)0.001 (6)−0.011 (5)−0.019 (5)
C320.088 (9)0.074 (7)0.057 (6)0.001 (7)−0.015 (6)−0.015 (6)
C330.080 (8)0.079 (8)0.062 (7)0.002 (6)−0.020 (6)−0.026 (6)
C340.143 (12)0.108 (10)0.078 (8)0.024 (9)−0.016 (8)−0.005 (7)
C350.127 (12)0.095 (9)0.108 (9)0.030 (8)−0.026 (8)−0.041 (7)
C360.090 (10)0.070 (8)0.097 (9)0.003 (7)−0.037 (8)−0.015 (7)
C370.099 (10)0.086 (9)0.095 (9)−0.001 (8)−0.027 (8)−0.004 (8)
C380.097 (11)0.089 (10)0.100 (10)0.000 (8)−0.022 (8)−0.017 (8)
C390.163 (15)0.092 (10)0.153 (13)−0.020 (10)−0.052 (11)0.024 (9)
C400.160 (15)0.137 (13)0.125 (12)0.007 (11)−0.007 (11)−0.013 (10)
C410.159 (16)0.081 (10)0.124 (12)0.036 (11)−0.060 (12)−0.036 (9)
C420.20 (2)0.149 (16)0.074 (10)−0.023 (15)−0.034 (12)−0.021 (10)
Ag1—N102.241 (6)O3—S11.427 (8)
Ag1—N62.248 (6)O4—S21.316 (9)
Ag1—N22.287 (7)O5—S21.457 (12)
Ag2—N142.251 (7)O6—S21.380 (8)
Ag2—N182.264 (6)S1—C411.781 (14)
Ag2—N222.273 (6)S2—C421.777 (18)
F1—C411.290 (14)C2—C31.430 (12)
F2—C411.234 (14)C2—C41.520 (12)
F3—C411.345 (17)C3—C51.482 (11)
F4—C421.217 (16)C4—H4C0.9600
F5—C421.260 (15)C4—H4D0.9600
F6—C421.36 (2)C4—H4E0.9600
N1—C31.301 (10)C5—H5A0.9600
N1—N21.334 (8)C5—H5B0.9600
N2—C11.342 (10)C5—H5C0.9600
N3—C21.300 (11)C7—C81.405 (11)
N3—C11.348 (10)C7—C91.494 (11)
N4—C11.336 (9)C8—C101.479 (11)
N4—H4A0.8600C9—H9A0.9600
N4—H4B0.8600C9—H9B0.9600
N5—C81.311 (9)C9—H9C0.9600
N5—N61.355 (8)C10—H10A0.9600
N6—C61.336 (9)C10—H10B0.9600
N7—C71.315 (10)C10—H10C0.9600
N7—C61.357 (9)C12—C131.388 (12)
N8—C61.333 (9)C12—C141.493 (12)
N8—H8A0.8600C13—C151.488 (12)
N8—H8B0.8600C14—H14A0.9600
N9—C131.329 (10)C14—H14B0.9600
N9—N101.362 (9)C14—H14C0.9600
N10—C111.350 (10)C15—H15A0.9600
N11—C121.302 (12)C15—H15B0.9600
N11—C111.349 (11)C15—H15C0.9600
N12—C111.301 (10)C17—C181.402 (13)
N12—H12A0.8600C17—C191.524 (12)
N12—H12B0.8600C18—C201.496 (12)
N13—C181.301 (10)C19—H19A0.9600
N13—N141.338 (9)C19—H19B0.9600
N14—C161.341 (10)C19—H19C0.9600
N15—C171.309 (12)C20—H20C0.9600
N15—C161.338 (10)C20—H20D0.9600
N16—C161.342 (11)C20—H20E0.9600
N16—H16A0.8600C22—C231.405 (11)
N16—H16B0.8600C22—C241.509 (10)
N17—C231.288 (9)C23—C251.522 (11)
N17—N181.339 (8)C24—H24C0.9600
N18—C211.325 (9)C24—H24D0.9600
N19—C221.315 (9)C24—H24E0.9600
N19—C211.354 (9)C25—H25A0.9600
N20—C211.340 (9)C25—H25B0.9600
N20—H20A0.8600C25—H25C0.9600
N20—H20B0.8600C27—C281.414 (11)
N21—C281.287 (9)C27—C291.521 (11)
N21—N221.346 (8)C28—C301.499 (11)
N22—C261.356 (9)C29—H29A0.9600
N23—C271.314 (10)C29—H29B0.9600
N23—C261.354 (10)C29—H29C0.9600
N24—C261.335 (9)C30—H30A0.9600
N24—H24A0.8600C30—H30B0.9600
N24—H24B0.8600C30—H30C0.9600
N25—C331.298 (11)C32—C331.433 (13)
N25—N261.335 (9)C32—C341.496 (13)
N26—C311.311 (10)C33—C351.500 (13)
N27—C321.287 (11)C34—H34A0.9600
N27—C311.364 (10)C34—H34B0.9600
N28—C311.338 (11)C34—H34C0.9600
N28—H28A0.8600C35—H35A0.9600
N28—H28B0.8600C35—H35B0.9600
N29—N301.304 (11)C35—H35C0.9600
N29—C381.316 (13)C37—C381.427 (15)
N30—C361.355 (13)C37—C391.546 (14)
N31—C371.311 (13)C38—C401.470 (15)
N31—C361.354 (12)C39—H39A0.9600
N32—C361.347 (12)C39—H39B0.9600
N32—H32A0.8600C39—H39C0.9600
N32—H32B0.8600C40—H40A0.9600
O1—S11.415 (7)C40—H40B0.9600
O2—S11.405 (8)C40—H40C0.9600
N10—Ag1—N6121.8 (3)C12—C14—H14A109.5
N10—Ag1—N2119.6 (3)C12—C14—H14B109.5
N6—Ag1—N2118.6 (2)H14A—C14—H14B109.5
N14—Ag2—N18119.9 (3)C12—C14—H14C109.5
N14—Ag2—N22119.5 (3)H14A—C14—H14C109.5
N18—Ag2—N22120.0 (2)H14B—C14—H14C109.5
C3—N1—N2120.7 (8)C13—C15—H15A109.5
N1—N2—C1118.8 (7)C13—C15—H15B109.5
N1—N2—Ag1111.7 (5)H15A—C15—H15B109.5
C1—N2—Ag1129.4 (6)C13—C15—H15C109.5
C2—N3—C1116.8 (8)H15A—C15—H15C109.5
C1—N4—H4A120.0H15B—C15—H15C109.5
C1—N4—H4B120.0N15—C16—N14124.5 (9)
H4A—N4—H4B120.0N15—C16—N16116.7 (9)
C8—N5—N6119.7 (7)N14—C16—N16118.8 (8)
C6—N6—N5118.5 (7)N15—C17—C18121.7 (9)
C6—N6—Ag1129.8 (6)N15—C17—C19117.4 (10)
N5—N6—Ag1111.4 (5)C18—C17—C19120.9 (10)
C7—N7—C6116.4 (7)N13—C18—C17119.8 (9)
C6—N8—H8A120.0N13—C18—C20117.0 (9)
C6—N8—H8B120.0C17—C18—C20123.2 (9)
H8A—N8—H8B120.0C17—C19—H19A109.5
C13—N9—N10118.3 (8)C17—C19—H19B109.5
C11—N10—N9119.4 (7)H19A—C19—H19B109.5
C11—N10—Ag1129.3 (6)C17—C19—H19C109.5
N9—N10—Ag1111.2 (5)H19A—C19—H19C109.5
C12—N11—C11118.0 (9)H19B—C19—H19C109.5
C11—N12—H12A120.0C18—C20—H20C109.5
C11—N12—H12B120.0C18—C20—H20D109.5
H12A—N12—H12B120.0H20C—C20—H20D109.5
C18—N13—N14119.8 (8)C18—C20—H20E109.5
N13—N14—C16118.5 (7)H20C—C20—H20E109.5
N13—N14—Ag2112.2 (5)H20D—C20—H20E109.5
C16—N14—Ag2129.3 (6)N18—C21—N20119.3 (7)
C17—N15—C16115.6 (9)N18—C21—N19124.7 (8)
C16—N16—H16A120.0N20—C21—N19116.0 (7)
C16—N16—H16B120.0N19—C22—C23119.9 (7)
H16A—N16—H16B120.0N19—C22—C24117.9 (7)
C23—N17—N18120.2 (7)C23—C22—C24122.1 (8)
C21—N18—N17118.0 (6)N17—C23—C22121.1 (8)
C21—N18—Ag2128.0 (5)N17—C23—C25117.5 (7)
N17—N18—Ag2113.9 (5)C22—C23—C25121.4 (7)
C22—N19—C21116.0 (7)C22—C24—H24C109.5
C21—N20—H20A120.0C22—C24—H24D109.5
C21—N20—H20B120.0H24C—C24—H24D109.5
H20A—N20—H20B120.0C22—C24—H24E109.5
C28—N21—N22120.7 (7)H24C—C24—H24E109.5
N21—N22—C26118.0 (7)H24D—C24—H24E109.5
N21—N22—Ag2112.0 (5)C23—C25—H25A109.5
C26—N22—Ag2130.0 (6)C23—C25—H25B109.5
C27—N23—C26116.9 (7)H25A—C25—H25B109.5
C26—N24—H24A120.0C23—C25—H25C109.5
C26—N24—H24B120.0H25A—C25—H25C109.5
H24A—N24—H24B120.0H25B—C25—H25C109.5
C33—N25—N26119.9 (8)N24—C26—N23118.2 (7)
C31—N26—N25118.4 (8)N24—C26—N22118.3 (8)
C32—N27—C31115.9 (8)N23—C26—N22123.5 (8)
C31—N28—H28A120.0N23—C27—C28120.3 (8)
C31—N28—H28B120.0N23—C27—C29117.7 (8)
H28A—N28—H28B120.0C28—C27—C29122.0 (8)
N30—N29—C38120.9 (11)N21—C28—C27120.7 (8)
N29—N30—C36118.5 (9)N21—C28—C30117.5 (8)
C37—N31—C36116.4 (11)C27—C28—C30121.8 (8)
C36—N32—H32A120.0C27—C29—H29A109.5
C36—N32—H32B120.0C27—C29—H29B109.5
H32A—N32—H32B120.0H29A—C29—H29B109.5
O2—S1—O1113.3 (5)C27—C29—H29C109.5
O2—S1—O3115.2 (5)H29A—C29—H29C109.5
O1—S1—O3116.6 (6)H29B—C29—H29C109.5
O2—S1—C41101.2 (8)C28—C30—H30A109.5
O1—S1—C41105.7 (6)C28—C30—H30B109.5
O3—S1—C41102.3 (6)H30A—C30—H30B109.5
O4—S2—O6126.8 (7)C28—C30—H30C109.5
O4—S2—O5105.8 (7)H30A—C30—H30C109.5
O6—S2—O5111.8 (6)H30B—C30—H30C109.5
O4—S2—C42107.6 (7)N26—C31—N28118.5 (9)
O6—S2—C42104.8 (7)N26—C31—N27125.3 (10)
O5—S2—C4295.6 (10)N28—C31—N27116.1 (9)
N4—C1—N2119.2 (8)N27—C32—C33120.3 (9)
N4—C1—N3117.2 (8)N27—C32—C34117.3 (9)
N2—C1—N3123.5 (8)C33—C32—C34122.5 (10)
N3—C2—C3121.1 (8)N25—C33—C32120.1 (10)
N3—C2—C4118.6 (9)N25—C33—C35117.9 (9)
C3—C2—C4120.3 (9)C32—C33—C35121.9 (10)
N1—C3—C2118.9 (8)C32—C34—H34A109.5
N1—C3—C5118.0 (9)C32—C34—H34B109.5
C2—C3—C5123.1 (9)H34A—C34—H34B109.5
C2—C4—H4C109.5C32—C34—H34C109.5
C2—C4—H4D109.5H34A—C34—H34C109.5
H4C—C4—H4D109.5H34B—C34—H34C109.5
C2—C4—H4E109.5C33—C35—H35A109.5
H4C—C4—H4E109.5C33—C35—H35B109.5
H4D—C4—H4E109.5H35A—C35—H35B109.5
C3—C5—H5A109.5C33—C35—H35C109.5
C3—C5—H5B109.5H35A—C35—H35C109.5
H5A—C5—H5B109.5H35B—C35—H35C109.5
C3—C5—H5C109.5N32—C36—N31117.3 (12)
H5A—C5—H5C109.5N32—C36—N30118.5 (11)
H5B—C5—H5C109.5N31—C36—N30124.1 (12)
N8—C6—N6118.8 (7)N31—C37—C38120.1 (11)
N8—C6—N7117.1 (8)N31—C37—C39116.7 (12)
N6—C6—N7124.0 (8)C38—C37—C39123.2 (13)
N7—C7—C8121.0 (7)N29—C38—C37119.8 (12)
N7—C7—C9117.7 (8)N29—C38—C40119.0 (13)
C8—C7—C9121.2 (8)C37—C38—C40121.2 (12)
N5—C8—C7120.2 (8)C37—C39—H39A109.5
N5—C8—C10116.9 (7)C37—C39—H39B109.5
C7—C8—C10122.9 (7)H39A—C39—H39B109.5
C7—C9—H9A109.5C37—C39—H39C109.5
C7—C9—H9B109.5H39A—C39—H39C109.5
H9A—C9—H9B109.5H39B—C39—H39C109.5
C7—C9—H9C109.5C38—C40—H40A109.5
H9A—C9—H9C109.5C38—C40—H40B109.5
H9B—C9—H9C109.5H40A—C40—H40B109.5
C8—C10—H10A109.5C38—C40—H40C109.5
C8—C10—H10B109.5H40A—C40—H40C109.5
H10A—C10—H10B109.5H40B—C40—H40C109.5
C8—C10—H10C109.5F2—C41—F1113.1 (16)
H10A—C10—H10C109.5F2—C41—F3102.6 (13)
H10B—C10—H10C109.5F1—C41—F3105.4 (13)
N12—C11—N11119.3 (9)F2—C41—S1114.6 (11)
N12—C11—N10118.3 (9)F1—C41—S1111.9 (10)
N11—C11—N10122.4 (9)F3—C41—S1108.2 (13)
N11—C12—C13121.1 (9)F4—C42—F5120 (2)
N11—C12—C14118.4 (10)F4—C42—F6103.2 (16)
C13—C12—C14120.4 (10)F5—C42—F6101.8 (16)
N9—C13—C12120.8 (9)F4—C42—S2114.5 (12)
N9—C13—C15115.6 (9)F5—C42—S2110.1 (13)
C12—C13—C15123.6 (9)F6—C42—S2105.1 (15)
C3—N1—N2—C12.2 (12)N13—N14—C16—N15−2.2 (13)
C3—N1—N2—Ag1−174.4 (6)Ag2—N14—C16—N15176.5 (6)
N10—Ag1—N2—N1−8.4 (6)N13—N14—C16—N16179.0 (8)
N6—Ag1—N2—N1169.6 (5)Ag2—N14—C16—N16−2.3 (13)
N10—Ag1—N2—C1175.5 (7)C16—N15—C17—C182.3 (15)
N6—Ag1—N2—C1−6.6 (8)C16—N15—C17—C19−176.3 (9)
C8—N5—N6—C60.8 (11)N14—N13—C18—C17−0.6 (14)
C8—N5—N6—Ag1175.4 (6)N14—N13—C18—C20179.5 (8)
N10—Ag1—N6—C6−7.1 (8)N15—C17—C18—N13−2.0 (16)
N2—Ag1—N6—C6175.0 (7)C19—C17—C18—N13176.6 (10)
N10—Ag1—N6—N5179.1 (5)N15—C17—C18—C20178.0 (10)
N2—Ag1—N6—N51.2 (6)C19—C17—C18—C20−3.5 (16)
C13—N9—N10—C110.2 (12)N17—N18—C21—N20178.0 (7)
C13—N9—N10—Ag1176.0 (6)Ag2—N18—C21—N20−2.7 (11)
N6—Ag1—N10—C11178.0 (7)N17—N18—C21—N19−1.0 (12)
N2—Ag1—N10—C11−4.2 (8)Ag2—N18—C21—N19178.4 (6)
N6—Ag1—N10—N92.6 (6)C22—N19—C21—N180.4 (12)
N2—Ag1—N10—N9−179.5 (5)C22—N19—C21—N20−178.6 (7)
C18—N13—N14—C162.6 (12)C21—N19—C22—C23−0.2 (12)
C18—N13—N14—Ag2−176.4 (7)C21—N19—C22—C24−179.3 (7)
N18—Ag2—N14—N13174.4 (5)N18—N17—C23—C22−1.2 (13)
N22—Ag2—N14—N132.9 (6)N18—N17—C23—C25−179.7 (7)
N18—Ag2—N14—C16−4.5 (8)N19—C22—C23—N170.6 (13)
N22—Ag2—N14—C16−176.0 (7)C24—C22—C23—N17179.7 (8)
C23—N17—N18—C211.3 (11)N19—C22—C23—C25179.1 (8)
C23—N17—N18—Ag2−178.1 (6)C24—C22—C23—C25−1.8 (13)
N14—Ag2—N18—C21179.4 (6)C27—N23—C26—N24−178.6 (8)
N22—Ag2—N18—C21−9.2 (8)C27—N23—C26—N22−0.1 (12)
N14—Ag2—N18—N17−1.2 (6)N21—N22—C26—N24178.3 (7)
N22—Ag2—N18—N17170.2 (5)Ag2—N22—C26—N241.3 (12)
C28—N21—N22—C26−0.5 (11)N21—N22—C26—N23−0.3 (12)
C28—N21—N22—Ag2177.0 (6)Ag2—N22—C26—N23−177.3 (6)
N14—Ag2—N22—N21172.9 (5)C26—N23—C27—C281.1 (12)
N18—Ag2—N22—N211.4 (6)C26—N23—C27—C29−178.0 (8)
N14—Ag2—N22—C26−9.9 (8)N22—N21—C28—C271.7 (12)
N18—Ag2—N22—C26178.6 (7)N22—N21—C28—C30−178.6 (7)
C33—N25—N26—C31−0.9 (13)N23—C27—C28—N21−2.0 (13)
C38—N29—N30—C360.5 (17)C29—C27—C28—N21177.1 (8)
N1—N2—C1—N4179.0 (7)N23—C27—C28—C30178.2 (8)
Ag1—N2—C1—N4−5.1 (12)C29—C27—C28—C30−2.6 (13)
N1—N2—C1—N31.1 (12)N25—N26—C31—N28178.6 (8)
Ag1—N2—C1—N3177.0 (6)N25—N26—C31—N27−1.1 (15)
C2—N3—C1—N4−179.9 (8)C32—N27—C31—N260.2 (16)
C2—N3—C1—N2−1.9 (13)C32—N27—C31—N28−179.5 (9)
C1—N3—C2—C3−0.2 (13)C31—N27—C32—C332.5 (15)
C1—N3—C2—C4179.5 (8)C31—N27—C32—C34−177.2 (10)
N2—N1—C3—C2−4.2 (13)N26—N25—C33—C323.5 (15)
N2—N1—C3—C5177.7 (8)N26—N25—C33—C35−179.0 (9)
N3—C2—C3—N13.3 (14)N27—C32—C33—N25−4.5 (16)
C4—C2—C3—N1−176.4 (9)C34—C32—C33—N25175.2 (10)
N3—C2—C3—C5−178.7 (9)N27—C32—C33—C35178.1 (10)
C4—C2—C3—C51.6 (14)C34—C32—C33—C35−2.2 (17)
N5—N6—C6—N8177.8 (7)C37—N31—C36—N32178.3 (11)
Ag1—N6—C6—N84.4 (12)C37—N31—C36—N30−4.8 (17)
N5—N6—C6—N70.6 (12)N29—N30—C36—N32179.7 (10)
Ag1—N6—C6—N7−172.8 (6)N29—N30—C36—N312.9 (17)
C7—N7—C6—N8−179.7 (7)C36—N31—C37—C383.4 (18)
C7—N7—C6—N6−2.4 (12)C36—N31—C37—C39−178.3 (10)
C6—N7—C7—C82.8 (12)N30—N29—C38—C37−1.7 (19)
C6—N7—C7—C9−179.7 (8)N30—N29—C38—C40−179.5 (12)
N6—N5—C8—C7−0.4 (12)N31—C37—C38—N290(2)
N6—N5—C8—C10179.8 (7)C39—C37—C38—N29−178.6 (12)
N7—C7—C8—N5−1.5 (13)N31—C37—C38—C40177.4 (13)
C9—C7—C8—N5−179.0 (8)C39—C37—C38—C40−1(2)
N7—C7—C8—C10178.3 (8)O2—S1—C41—F272.2 (15)
C9—C7—C8—C100.8 (14)O1—S1—C41—F2−46.1 (16)
C12—N11—C11—N12−180.0 (9)O3—S1—C41—F2−168.7 (14)
C12—N11—C11—N100.5 (14)O2—S1—C41—F1−58.3 (14)
N9—N10—C11—N12178.8 (8)O1—S1—C41—F1−176.6 (12)
Ag1—N10—C11—N123.8 (12)O3—S1—C41—F160.9 (14)
N9—N10—C11—N11−1.7 (13)O2—S1—C41—F3−174.1 (9)
Ag1—N10—C11—N11−176.6 (6)O1—S1—C41—F367.6 (11)
C11—N11—C12—C132.1 (14)O3—S1—C41—F3−54.9 (11)
C11—N11—C12—C14−176.9 (8)O4—S2—C42—F438 (2)
N10—N9—C13—C122.3 (13)O6—S2—C42—F4175.6 (16)
N10—N9—C13—C15179.3 (8)O5—S2—C42—F4−70.1 (17)
N11—C12—C13—N9−3.6 (15)O4—S2—C42—F5176.9 (15)
C14—C12—C13—N9175.4 (9)O6—S2—C42—F5−45.9 (18)
N11—C12—C13—C15179.6 (9)O5—S2—C42—F568.4 (17)
C14—C12—C13—C15−1.4 (15)O4—S2—C42—F6−74.1 (13)
C17—N15—C16—N14−0.2 (14)O6—S2—C42—F663.0 (12)
C17—N15—C16—N16178.6 (9)O5—S2—C42—F6177.3 (11)
D—H···AD—HH···AD···AD—H···A
N4—H4A···N50.862.152.977 (9)161
N8—H8A···N90.862.223.077 (10)173
N12—H12B···N10.862.173.018 (11)169
N16—H16B···N170.862.213.052 (10)165
N20—H20A···N210.862.183.004 (9)161
N24—H24B···N130.862.193.044 (11)169
N4—H4B···N30i0.862.102.935 (11)162
N8—H8B···O1ii0.862.193.032 (11)168
N12—H12A···O6iii0.862.263.047 (11)152
N16—H16A···O3iv0.862.233.032 (11)155
N20—H20B···N26ii0.862.153.003 (9)172
N24—H24A···O40.862.263.121 (12)175
N28—H28A···N19ii0.862.243.084 (10)167
N28—H28B···O50.862.222.978 (15)146
N32—H32A···O2ii0.862.172.982 (13)156
N32—H32B···N3i0.862.303.142 (12)166
C5—H5B···O40.962.563.486 (17)161
C9—H9A···N27v0.962.563.363 (12)141
C15—H15B···O3iv0.962.583.538 (15)177
C35—H35C···F1iv0.962.543.375 (14)145
C40—H40A···F5iii0.962.433.208 (17)138
Ag1—N102.241 (6)
Ag1—N62.248 (6)
Ag1—N22.287 (7)
Ag2—N142.251 (7)
Ag2—N182.264 (6)
Ag2—N222.273 (6)
N10—Ag1—N6121.8 (3)
N10—Ag1—N2119.6 (3)
N6—Ag1—N2118.6 (2)
N14—Ag2—N18119.9 (3)
N14—Ag2—N22119.5 (3)
N18—Ag2—N22120.0 (2)
Table 2

Hydrogen-bond geometry (Å, °)

D—H⋯AD—HH⋯ADAD—H⋯A
N4—H4A⋯N50.862.152.977 (9)161
N8—H8A⋯N90.862.223.077 (10)173
N12—H12B⋯N10.862.173.018 (11)169
N16—H16B⋯N170.862.213.052 (10)165
N20—H20A⋯N210.862.183.004 (9)161
N24—H24B⋯N130.862.193.044 (11)169
N4—H4B⋯N30i0.862.102.935 (11)162
N8—H8B⋯O1ii0.862.193.032 (11)168
N12—H12A⋯O6iii0.862.263.047 (11)152
N16—H16A⋯O3iv0.862.233.032 (11)155
N20—H20B⋯N26ii0.862.153.003 (9)172
N24—H24A⋯O40.862.263.121 (12)175
N28—H28A⋯N19ii0.862.243.084 (10)167
N28—H28B⋯O50.862.222.978 (15)146
N32—H32A⋯O2ii0.862.172.982 (13)156
N32—H32B⋯N3i0.862.303.142 (12)166
C5—H5B⋯O40.962.563.486 (17)161
C9—H9A⋯N27v0.962.563.363 (12)141
C15—H15B⋯O3iv0.962.583.538 (15)177
C35—H35C⋯F1iv0.962.543.375 (14)145
C40—H40A⋯F5iii0.962.433.208 (17)138

Symmetry codes: (i) ; (ii) ; (iii) ; (iv) ; (v) .

  2 in total

1.  A short history of SHELX.

Authors:  George M Sheldrick
Journal:  Acta Crystallogr A       Date:  2007-12-21       Impact factor: 2.290

2.  Tetra-kis(triphenyl-phosphane-κP)silver(I) trifluoro-methane-sulfonate dichloro-methane monosolvate.

Authors:  Yu-Hang Jiang; Li-Na Cui; Xu Huang; Qiong-Hua Jin; Cun-Lin Zhang
Journal:  Acta Crystallogr Sect E Struct Rep Online       Date:  2011-10-08
  2 in total
  1 in total

1.  5,6-Dimethyl-1,2,4-triazin-3-amine.

Authors:  Man-Hua Wu; Qi-Ming Qiu; Sen Gao; Qiong-Hua Jin; Cun-Lin Zhang
Journal:  Acta Crystallogr Sect E Struct Rep Online       Date:  2011-12-07
  1 in total

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