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The title structure, {[Ag(C8H10N4)]NO3·1.167H2O·0.33CH4O}n, consists of helical chains in which approximately linearly coordinated Ag atoms alternate with bridging 1,1′-dimethyl-2,2′-biimidazole ligands in a syn conformation. The environment of each Ag atom is completed by weak Ag—O bonds to a bidentate nitrate ion.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536805023044/rz6102sup1.cif
Contains datablocks I, global

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536805023044/rz6102Isup2.hkl
Contains datablock I

CCDC reference: 282596

Key indicators

  • Single-crystal X-ray study
  • T = 293 K
  • Mean [sigma](C-C) = 0.008 Å
  • Some non-H atoms missing
  • Disorder in main residue
  • R factor = 0.047
  • wR factor = 0.145
  • Data-to-parameter ratio = 15.3

checkCIF/PLATON results

No syntax errors found



Alert level A PLAT432_ALERT_2_A Short Inter X...Y Contact O1X .. C2X .. 2.10 Ang.
Author Response: This short contact is between two mutually exclusive disordered methanol positions (0.50 occupancies): methanol O1X-C1X is absent when O2X-C2X is present. Therefore, the short contact does not actually exist locally.
PLAT432_ALERT_2_A Short Inter X...Y Contact  O2X    ..  C1X     ..       2.59 Ang.
Author Response: This short contact is between two mutually exclusive disordered methanol positions (0.50 occupancies): methanol O1X-C1X is absent when O2X-C2X is present. Therefore, the short contact does not actually exist locally.
PLAT432_ALERT_2_A Short Inter X...Y Contact  C1X    ..  C2X     ..       2.60 Ang.
Author Response: This short contact is between two mutually exclusive disordered methanol positions (0.50 occupancies): methanol O1X-C1X is absent when O2X-C2X is present. Therefore, the short contact does not actually exist locally.

Alert level B CHEMW01_ALERT_1_B The ratio of given/expected molecular weight as calculated from the _chemical_formula_sum lies outside the range 0.95 <> 1.05 Calculated formula weight = 335.3723 Formula weight given = 363.4400 PLAT241_ALERT_2_B Check High Ueq as Compared to Neighbors for O21A PLAT242_ALERT_2_B Check Low Ueq as Compared to Neighbors for N2B PLAT242_ALERT_2_B Check Low Ueq as Compared to Neighbors for N2A PLAT413_ALERT_2_B Short Inter XH3 .. XHn H2X3 .. H16B .. 2.06 Ang. PLAT413_ALERT_2_B Short Inter XH3 .. XHn H2X3 .. H66B .. 1.91 Ang. PLAT432_ALERT_2_B Short Inter X...Y Contact O4 .. C1X .. 2.76 Ang.
Author Response: This short contact is between two mutually exclusive disordered methanol positions (0.50 occupancies): methanol O1X-C1X is absent when O2X-C2X is present. Therefore, the short contact does not actually exist locally.

Alert level C CHEMW01_ALERT_1_C The difference between the given and expected weight for compound is greater 1 mass unit. Check that all hydrogen atoms have been taken into account. PLAT041_ALERT_1_C Calc. and Rep. SumFormula Strings Differ .... ? PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ .... ? PLAT045_ALERT_1_C Calculated and Reported Z Differ by ............ 0.08 Ratio PLAT142_ALERT_4_C su on b - Axis Small or Missing (x 100000) ..... 20 Ang. PLAT143_ALERT_4_C su on c - Axis Small or Missing (x 100000) ..... 20 Ang. 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 C14 PLAT244_ALERT_4_C Low 'Solvent' Ueq as Compared to Neighbors for N1 PLAT244_ALERT_4_C Low 'Solvent' Ueq as Compared to Neighbors for N3 PLAT301_ALERT_3_C Main Residue Disorder ......................... 9.00 Perc. PLAT302_ALERT_4_C Anion/Solvent Disorder ......................... 16.00 Perc. PLAT313_ALERT_2_C Oxygen with three covalent bonds (rare) ........ O1X PLAT720_ALERT_4_C Number of Unusual/Non-Standard Label(s) ........ 6 PLAT764_ALERT_4_C Overcomplete CIF Bond List Detected (Rep/Expd) . 1.14 Ratio
Alert level G FORMU01_ALERT_1_G There is a discrepancy between the atom counts in the _chemical_formula_sum and _chemical_formula_moiety. This is usually due to the moiety formula being in the wrong format. Atom count from _chemical_formula_sum: C8.33 H13.33 Ag1 N3 O4.5 Atom count from _chemical_formula_moiety:C8.33 H13.654 Ag1 N5 O4.497 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:C8.33 H13.33 Ag1 N3 O4.5 Atom count from the _atom_site data: C8.333333 H13.33333 Ag1 N5 O4. 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 12 From the CIF: _chemical_formula_sum C8.33 H13.33 Ag1 N3 O4.5 TEST: Compare cell contents of formula and atom_site data atom Z*formula cif sites diff C 99.96 100.00 -0.04 H 159.96 160.00 -0.04 Ag 12.00 12.00 0.00 N 36.00 60.00 -24.00 O 54.00 54.00 0.00
3 ALERT level A = In general: serious problem 7 ALERT level B = Potentially serious problem 16 ALERT level C = Check and explain 4 ALERT level G = General alerts; check 10 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 12 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 7 ALERT type 4 Improvement, methodology, query or suggestion

Computing details top

Data collection: SMART (Bruker, 1999); cell refinement: SAINT (Bruker, 1999); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: SHELXTL (Bruker, 1997); software used to prepare material for publication: UdMX (Maris, 2004).

catena-Poly[[silver(I)-µ2-1,1'-dimethyl-2,2'-biimidazole-κN3:N3'] nitrate 1.167-hydrate methanol 0.33-solvate] top
Crystal data top
[Ag(C8H10N4)]NO3·1.167H2O·0.33CH4OF(000) = 2176
Mr = 363.44Dx = 1.765 Mg m3
Monoclinic, P21/cCu Kα radiation, λ = 1.54178 Å
Hall symbol: -P 2ybcCell parameters from 24951 reflections
a = 8.3497 (1) Åθ = 2.8–72.9°
b = 23.0390 (2) ŵ = 12.05 mm1
c = 21.3683 (2) ÅT = 293 K
β = 93.342 (1)°Needle, colourless
V = 4103.60 (7) Å30.59 × 0.11 × 0.05 mm
Z = 12
Data collection top
Bruker SMART 2000
diffractometer
8069 independent reflections
Radiation source: Sealed Tube5837 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.053
Detector resolution: 5.5 pixels mm-1θmax = 73.0°, θmin = 2.8°
ω scansh = 98
Absorption correction: multi-scan
(SADABS; Sheldrick, 1996)
k = 2828
Tmin = 0.25, Tmax = 0.55l = 2626
49852 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)] = 0.047Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.145H-atom parameters constrained
S = 1.02 w = 1/[σ2(Fo2) + (0.0883P)2]
where P = (Fo2 + 2Fc2)/3
8069 reflections(Δ/σ)max = 0.001
527 parametersΔρmax = 0.94 e Å3
54 restraintsΔρmin = 0.58 e Å3
Special details top

Experimental. X-ray crystallographic data for I were collected from a single-crystal sample, which was mounted on a loop fiber. Data were collected using a Bruker Platform diffractometer, equipped with a Bruker SMART 2 K Charged-Coupled Device (CCD) Area Detector using the program SMART and normal focus sealed tube source graphite monochromated Cu—Kα radiation. The crystal-to-detector distance was 4.908 cm, and the data collection was carried out in 512 x 512 pixel mode, utilizing 4 x 4 pixel binning. The initial unit-cell parameters were determined by a least-squares fit of the angular setting of strong reflections, collected by a 9.0 degree scan in 30 frames over four different parts of the reciprocal space (120 frames total). One complete sphere of data was collected, to better than 0.8 Å resolution. Upon completion of the data collection, the first 101 frames were recollected in order to improve the decay correction analysis.

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*/UeqOcc. (<1)
Ag10.40172 (5)0.773068 (15)0.314511 (17)0.06312 (13)
Ag20.06620 (4)0.727548 (15)0.280294 (16)0.06484 (13)
Ag30.28122 (5)0.769567 (16)0.253897 (17)0.06506 (13)
N110.4895 (5)0.69338 (17)0.35132 (18)0.0623 (10)
C120.5579 (6)0.64951 (19)0.3227 (2)0.0565 (10)
N130.6162 (5)0.61018 (18)0.3641 (2)0.0707 (11)
C140.5832 (8)0.6304 (3)0.4224 (3)0.0924 (19)
H140.61040.61270.46060.111*
C150.5036 (8)0.6812 (2)0.4135 (2)0.0804 (16)
H150.46470.70410.44500.097*
C160.7133 (8)0.5590 (3)0.3528 (3)0.098 (2)
H16A0.73640.55750.30930.147*
H16B0.65540.52470.36350.147*
H16C0.81190.56100.37810.147*
N210.3055 (5)0.84544 (17)0.26406 (18)0.0601 (9)
C220.2242 (6)0.8452 (2)0.2089 (2)0.0596 (11)
N230.1597 (5)0.89782 (18)0.1967 (2)0.0713 (11)
C240.2014 (7)0.9328 (2)0.2469 (3)0.0794 (16)
H240.17290.97150.25200.095*
C250.2927 (7)0.8998 (2)0.2875 (3)0.0735 (14)
H250.33950.91250.32570.088*
C260.0513 (8)0.9147 (3)0.1436 (3)0.105 (2)
H26A0.10960.93670.11420.157*
H26B0.03410.93810.15820.157*
H26C0.00730.88060.12340.157*
N310.1512 (6)0.74343 (18)0.1904 (2)0.0670 (11)
C320.2041 (6)0.7926 (2)0.1699 (2)0.0613 (11)
N330.2432 (5)0.7881 (2)0.1096 (2)0.0777 (13)
C340.2127 (8)0.7326 (3)0.0914 (3)0.093 (2)
H340.22870.71670.05230.112*
C350.1548 (8)0.7050 (3)0.1409 (3)0.0876 (18)
H350.12260.66640.14160.105*
C360.3183 (8)0.8328 (4)0.0714 (3)0.119 (3)
H36A0.41220.81700.05390.178*
H36B0.34800.86560.09730.178*
H36C0.24350.84490.03810.178*
N410.0067 (5)0.73722 (16)0.37323 (19)0.0629 (10)
C420.0747 (6)0.7820 (2)0.3988 (2)0.0571 (11)
N430.1088 (5)0.76994 (19)0.4585 (2)0.0686 (11)
C440.0597 (7)0.7146 (3)0.4708 (3)0.0784 (15)
H440.06890.69440.50810.094*
C450.0050 (7)0.6948 (2)0.4185 (3)0.0763 (15)
H450.05020.65830.41380.092*
C460.1978 (8)0.8051 (3)0.5023 (3)0.0904 (19)
H46A0.29010.78390.51430.136*
H46B0.23170.84070.48230.136*
H46C0.12960.81360.53890.136*
N510.1957 (5)0.83917 (18)0.31000 (17)0.0625 (10)
C520.1142 (5)0.8366 (2)0.3655 (2)0.0572 (11)
N530.0721 (5)0.89042 (17)0.38506 (19)0.0641 (10)
C540.1312 (7)0.9287 (2)0.3407 (3)0.0800 (15)
H540.12070.96890.34170.096*
C550.2078 (7)0.8969 (2)0.2951 (3)0.0771 (15)
H550.26070.91180.25920.093*
C560.0343 (7)0.9061 (3)0.4401 (3)0.0869 (17)
H56A0.02740.92460.47100.130*
H56B0.11600.93220.42740.130*
H56C0.08360.87160.45760.130*
N610.3710 (5)0.68897 (19)0.22095 (18)0.0680 (11)
C620.4294 (6)0.6463 (2)0.2544 (2)0.0575 (11)
N630.4765 (5)0.60112 (19)0.2171 (2)0.0731 (11)
C640.4474 (8)0.6164 (3)0.1571 (3)0.093 (2)
H640.46790.59400.12130.112*
C650.3832 (8)0.6701 (3)0.1595 (3)0.0896 (18)
H650.35200.69110.12520.108*
C660.5573 (7)0.5482 (3)0.2340 (3)0.095 (2)
H66A0.64840.54180.20530.143*
H66B0.59240.55170.27580.143*
H66C0.48460.51610.23200.143*
N10.4182 (6)0.8426 (2)0.4510 (2)0.0716 (11)
O110.3201 (6)0.8030 (2)0.4414 (2)0.1016 (14)
O120.4285 (6)0.8675 (2)0.5014 (2)0.1075 (15)
O130.5066 (6)0.8548 (3)0.40988 (19)0.1143 (17)
N2A0.037 (6)0.5925 (18)0.271 (3)0.089 (3)0.30
O21A0.161 (5)0.6180 (18)0.2887 (14)0.111 (3)0.30
O22A0.030 (6)0.5390 (18)0.270 (5)0.138 (5)0.30
O23A0.056 (9)0.620 (3)0.235 (3)0.130 (3)0.30
N2B0.068 (2)0.5864 (7)0.2741 (13)0.089 (3)0.70
O21B0.1462 (19)0.6152 (7)0.3134 (4)0.111 (3)0.70
O22B0.075 (2)0.5328 (7)0.274 (2)0.138 (5)0.70
O23B0.027 (4)0.6116 (13)0.2377 (11)0.130 (3)0.70
N30.2910 (7)0.8372 (3)0.1211 (2)0.0935 (16)
O310.2006 (8)0.7957 (3)0.1300 (3)0.1293 (19)
O320.2911 (6)0.8643 (3)0.0716 (2)0.130 (2)
O330.3727 (6)0.8530 (3)0.1633 (2)0.139 (2)
O10.0652 (2)0.9368 (2)0.60866 (12)0.1361 (19)
H1A0.13800.94300.58200.204*
H1B0.05200.92300.64400.204*
O20.3197 (5)1.04368 (17)0.48397 (15)0.153 (2)
H2A0.38901.06900.48700.229*
H2B0.29501.01700.50700.229*
O30.2443 (3)0.95017 (10)0.5665 (2)0.1170 (16)
H3A0.29600.92600.54800.176*
H3B0.15400.94600.57900.176*
O1X0.199 (2)0.5490 (8)0.4294 (8)0.215 (7)*0.50
H1X0.26810.56450.40970.323*0.50
C1X0.269 (3)0.5289 (10)0.4904 (11)0.199 (10)*0.50
H1X10.33930.55840.50830.299*0.50
H1X20.32960.49410.48460.299*0.50
H1X30.18550.52130.51820.299*0.50
O2X0.462 (2)0.4656 (8)0.4290 (8)0.213 (7)*0.50
H2X0.43950.43100.43090.319*0.50
C2X0.351 (2)0.4944 (9)0.3809 (9)0.155 (7)*0.50
H2X10.26180.51090.40090.232*0.50
H2X20.31300.46620.35050.232*0.50
H2X30.40790.52450.36040.232*0.50
O40.9448 (19)0.5462 (7)0.5022 (8)0.196 (6)*0.50
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Ag10.0718 (3)0.0602 (2)0.0575 (2)0.01022 (16)0.00445 (16)0.00182 (15)
Ag20.0772 (3)0.0606 (2)0.0579 (2)0.00106 (16)0.01470 (17)0.00337 (15)
Ag30.0709 (3)0.0699 (2)0.0543 (2)0.00957 (17)0.00296 (16)0.00268 (16)
N110.079 (3)0.058 (2)0.050 (2)0.0083 (19)0.0079 (18)0.0002 (17)
C120.062 (3)0.053 (2)0.054 (3)0.001 (2)0.003 (2)0.0024 (19)
N130.084 (3)0.065 (2)0.063 (3)0.012 (2)0.011 (2)0.007 (2)
C140.125 (5)0.093 (4)0.060 (3)0.018 (4)0.021 (3)0.027 (3)
C150.121 (5)0.071 (3)0.051 (3)0.013 (3)0.020 (3)0.003 (2)
C160.117 (5)0.079 (4)0.098 (5)0.031 (4)0.011 (4)0.009 (3)
N210.070 (3)0.060 (2)0.050 (2)0.0061 (18)0.0044 (17)0.0012 (17)
C220.060 (3)0.062 (3)0.057 (3)0.001 (2)0.007 (2)0.010 (2)
N230.070 (3)0.059 (2)0.084 (3)0.001 (2)0.002 (2)0.020 (2)
C240.085 (4)0.057 (3)0.096 (4)0.003 (3)0.004 (3)0.006 (3)
C250.093 (4)0.066 (3)0.062 (3)0.001 (3)0.005 (3)0.003 (2)
C260.120 (6)0.083 (4)0.106 (5)0.001 (4)0.036 (4)0.022 (4)
N310.085 (3)0.062 (2)0.055 (2)0.008 (2)0.015 (2)0.0058 (19)
C320.065 (3)0.077 (3)0.043 (2)0.005 (2)0.007 (2)0.001 (2)
N330.071 (3)0.116 (4)0.047 (2)0.000 (3)0.0069 (19)0.001 (2)
C340.097 (5)0.125 (6)0.058 (3)0.015 (4)0.010 (3)0.023 (4)
C350.112 (5)0.075 (4)0.075 (4)0.010 (3)0.008 (3)0.023 (3)
C360.101 (5)0.196 (8)0.060 (4)0.026 (5)0.013 (3)0.030 (4)
N410.077 (3)0.056 (2)0.056 (2)0.0045 (18)0.0107 (19)0.0043 (17)
C420.059 (3)0.065 (3)0.047 (2)0.003 (2)0.0010 (19)0.003 (2)
N430.075 (3)0.081 (3)0.051 (2)0.005 (2)0.0086 (19)0.002 (2)
C440.097 (4)0.084 (4)0.054 (3)0.003 (3)0.004 (3)0.014 (3)
C450.099 (4)0.062 (3)0.069 (3)0.001 (3)0.005 (3)0.006 (3)
C460.103 (5)0.114 (5)0.056 (3)0.018 (4)0.020 (3)0.001 (3)
N510.073 (3)0.070 (2)0.044 (2)0.0021 (19)0.0015 (17)0.0074 (18)
C520.060 (3)0.060 (2)0.053 (3)0.000 (2)0.011 (2)0.005 (2)
N530.070 (3)0.062 (2)0.060 (2)0.0017 (19)0.0009 (19)0.0157 (19)
C540.108 (5)0.054 (3)0.077 (4)0.009 (3)0.001 (3)0.002 (3)
C550.103 (4)0.066 (3)0.061 (3)0.010 (3)0.003 (3)0.003 (3)
C560.091 (4)0.088 (4)0.080 (4)0.001 (3)0.009 (3)0.024 (3)
N610.081 (3)0.076 (3)0.048 (2)0.008 (2)0.0061 (19)0.0072 (19)
C620.057 (3)0.059 (3)0.056 (3)0.000 (2)0.0017 (19)0.012 (2)
N630.069 (3)0.071 (3)0.079 (3)0.000 (2)0.003 (2)0.024 (2)
C640.095 (5)0.117 (5)0.068 (4)0.005 (4)0.010 (3)0.043 (4)
C650.106 (5)0.116 (5)0.048 (3)0.012 (4)0.009 (3)0.018 (3)
C660.082 (4)0.076 (4)0.127 (5)0.010 (3)0.001 (4)0.030 (4)
N10.073 (3)0.081 (3)0.061 (3)0.012 (2)0.006 (2)0.001 (2)
O110.114 (4)0.088 (3)0.104 (3)0.008 (3)0.010 (3)0.016 (3)
O120.114 (4)0.124 (4)0.085 (3)0.004 (3)0.011 (3)0.043 (3)
O130.101 (3)0.175 (5)0.067 (3)0.014 (3)0.011 (2)0.018 (3)
N2A0.074 (9)0.072 (5)0.125 (6)0.003 (4)0.030 (6)0.016 (5)
O21A0.136 (5)0.094 (4)0.104 (9)0.005 (4)0.015 (7)0.041 (7)
O22A0.099 (12)0.062 (4)0.258 (10)0.006 (6)0.044 (13)0.016 (6)
O23A0.123 (12)0.134 (10)0.134 (5)0.020 (6)0.005 (5)0.004 (6)
N2B0.074 (9)0.072 (5)0.125 (6)0.003 (4)0.030 (6)0.016 (5)
O21B0.136 (5)0.094 (4)0.104 (9)0.005 (4)0.015 (7)0.041 (7)
O22B0.099 (12)0.062 (4)0.258 (10)0.006 (6)0.044 (13)0.016 (6)
O23B0.123 (12)0.134 (10)0.134 (5)0.020 (6)0.005 (5)0.004 (6)
N30.080 (4)0.136 (5)0.064 (3)0.013 (3)0.007 (3)0.001 (3)
O310.149 (5)0.120 (4)0.120 (4)0.002 (4)0.014 (4)0.009 (4)
O320.120 (4)0.202 (6)0.070 (3)0.003 (4)0.006 (3)0.038 (3)
O330.124 (4)0.228 (7)0.066 (3)0.019 (4)0.012 (3)0.011 (4)
O10.133 (4)0.148 (5)0.128 (4)0.013 (4)0.013 (3)0.028 (4)
O20.123 (5)0.144 (5)0.192 (6)0.003 (4)0.013 (4)0.012 (4)
O30.116 (4)0.119 (4)0.116 (4)0.012 (3)0.007 (3)0.023 (3)
Geometric parameters (Å, º) top
Ag1—N112.112 (4)N43—C461.471 (6)
Ag1—N212.118 (4)C44—C451.349 (8)
Ag1—O112.916 (5)C44—H440.9300
Ag1—O132.873 (5)C45—H450.9300
Ag1—Ag3i3.0153 (6)C46—H46A0.9600
Ag1—Ag23.0405 (5)C46—H46B0.9600
Ag2—N312.117 (4)C46—H46C0.9600
Ag2—N412.122 (4)N51—C521.334 (6)
Ag2—O21A2.65 (4)N51—C551.369 (6)
Ag2—O23A2.84 (8)C52—N531.349 (6)
Ag2—O21B2.754 (16)N53—C541.365 (6)
Ag2—O23B2.91 (3)N53—C561.477 (6)
Ag2—Ag33.0789 (5)C54—C551.350 (7)
Ag3—N512.102 (4)C54—H540.9300
Ag3—N612.108 (4)C55—H550.9300
Ag3—O312.834 (6)C56—H56A0.9600
Ag3—O332.802 (6)C56—H56B0.9600
Ag3—Ag1ii3.0153 (6)C56—H56C0.9600
N11—C121.328 (5)N61—C621.325 (6)
N11—C151.356 (6)N61—C651.381 (6)
C12—N131.338 (6)C62—N631.356 (6)
C12—C62i1.471 (7)C62—C12ii1.471 (7)
N13—C141.373 (7)N63—C641.365 (8)
N13—C161.459 (6)N63—C661.448 (7)
C14—C151.353 (8)C64—C651.348 (9)
C14—H140.9300C64—H640.9300
C15—H150.9300C65—H650.9300
C16—H16A0.9600C66—H66A0.9600
C16—H16B0.9600C66—H66B0.9600
C16—H16C0.9600C66—H66C0.9600
N21—C221.326 (6)N1—O131.213 (5)
N21—C251.355 (6)N1—O121.220 (5)
C22—N231.346 (6)N1—O111.235 (6)
C22—C321.476 (7)N2A—O23A1.226 (15)
N23—C241.369 (7)N2A—O21A1.231 (17)
N23—C261.463 (7)N2A—O22A1.235 (14)
C24—C251.356 (7)N2B—O23B1.223 (9)
C24—H240.9300N2B—O21B1.229 (12)
C25—H250.9300N2B—O22B1.237 (9)
C26—H26A0.9600N3—O331.217 (7)
C26—H26B0.9600N3—O311.227 (7)
C26—H26C0.9600N3—O321.229 (6)
N31—C321.301 (6)O1—H1A0.8209
N31—C351.381 (7)O1—H1B0.8210
C32—N331.351 (6)O2—H2A0.8213
N33—C341.355 (8)O2—H2B0.8214
N33—C361.476 (8)O3—H3A0.8202
C34—C351.348 (9)O3—H3B0.8202
C34—H340.9300O1X—C1X1.47 (2)
C35—H350.9300O1X—H1X0.8200
C36—H36A0.9600C1X—H1X10.9600
C36—H36B0.9600C1X—H1X20.9600
C36—H36C0.9600C1X—H1X30.9600
N41—C421.312 (6)O2X—C2X1.49 (2)
N41—C451.374 (6)O2X—H2X0.8200
C42—N431.351 (6)C2X—H2X10.9600
C42—C521.473 (6)C2X—H2X20.9600
N43—C441.360 (7)C2X—H2X30.9600
N11—Ag1—N21170.77 (15)N41—C42—N43110.6 (4)
N11—Ag1—O1187.38 (14)N41—C42—C52124.1 (4)
N11—Ag1—O13102.75 (15)N43—C42—C52125.3 (4)
N21—Ag1—O11100.64 (14)C42—N43—C44107.3 (5)
N21—Ag1—O1386.34 (15)C42—N43—C46129.0 (5)
O11—Ag1—O1342.59 (12)C44—N43—C46123.4 (5)
N31—Ag2—N41163.72 (16)C45—C44—N43106.7 (5)
N31—Ag2—O21A96.4 (6)C45—C44—H44126.6
N31—Ag2—O23A88.6 (16)N43—C44—H44126.6
N41—Ag2—O21A97.9 (6)C44—C45—N41109.1 (5)
N41—Ag2—O23A107.1 (17)C44—C45—H45125.5
O21A—Ag2—O23A44.5 (8)N41—C45—H45125.5
N31—Ag2—O21B107.8 (2)N43—C46—H46A109.5
N31—Ag2—O23B88.4 (7)N43—C46—H46B109.5
N41—Ag2—O21B86.4 (2)H46A—C46—H46B109.5
N41—Ag2—O23B107.7 (7)N43—C46—H46C109.5
O21B—Ag2—O23B43.5 (3)H46A—C46—H46C109.5
N51—Ag3—N61164.75 (15)H46B—C46—H46C109.5
N51—Ag3—O31106.24 (16)C52—N51—C55106.0 (4)
N51—Ag3—O3386.62 (17)C52—N51—Ag3127.7 (3)
N61—Ag3—O3188.51 (16)C55—N51—Ag3126.2 (3)
N61—Ag3—O33107.20 (18)N51—C52—N53110.2 (4)
C12—N11—C15106.2 (4)N51—C52—C42123.8 (4)
O31—Ag3—O3343.87 (16)N53—C52—C42126.0 (4)
C12—N11—Ag1129.7 (3)C52—N53—C54107.6 (4)
C15—N11—Ag1123.6 (3)C52—N53—C56127.2 (5)
N11—C12—N13111.1 (4)C54—N53—C56124.8 (5)
N11—C12—C62i123.6 (4)C55—C54—N53106.6 (5)
N13—C12—C62i125.2 (4)C55—C54—H54126.7
C12—N13—C14106.5 (4)N53—C54—H54126.7
C12—N13—C16128.5 (5)C54—C55—N51109.6 (5)
C14—N13—C16124.6 (5)C54—C55—H55125.2
C15—C14—N13106.8 (5)N51—C55—H55125.2
C15—C14—H14126.6N53—C56—H56A109.5
N13—C14—H14126.6N53—C56—H56B109.5
C14—C15—N11109.3 (5)H56A—C56—H56B109.5
C14—C15—H15125.4N53—C56—H56C109.5
N11—C15—H15125.4H56A—C56—H56C109.5
N13—C16—H16A109.5H56B—C56—H56C109.5
N13—C16—H16B109.5C62—N61—C65105.7 (5)
H16A—C16—H16B109.5C62—N61—Ag3127.4 (3)
N13—C16—H16C109.5C65—N61—Ag3126.9 (4)
H16A—C16—H16C109.5N61—C62—N63110.8 (4)
H16B—C16—H16C109.5N61—C62—C12ii123.3 (4)
C22—N21—C25106.6 (4)N63—C62—C12ii125.9 (4)
C22—N21—Ag1127.5 (3)C62—N63—C64107.0 (5)
C25—N21—Ag1125.1 (3)C62—N63—C66128.5 (5)
N21—C22—N23110.3 (4)C64—N63—C66124.2 (5)
N21—C22—C32122.8 (4)C65—C64—N63107.0 (5)
N23—C22—C32126.9 (5)C65—C64—H64126.5
C22—N23—C24107.4 (4)N63—C64—H64126.5
C22—N23—C26127.8 (5)C64—C65—N61109.5 (6)
C24—N23—C26124.6 (5)C64—C65—H65125.3
C25—C24—N23106.2 (5)N61—C65—H65125.3
C25—C24—H24126.9N63—C66—H66A109.5
N23—C24—H24126.9N63—C66—H66B109.5
N21—C25—C24109.5 (5)H66A—C66—H66B109.5
N21—C25—H25125.2N63—C66—H66C109.5
C24—C25—H25125.2H66A—C66—H66C109.5
N23—C26—H26A109.5H66B—C66—H66C109.5
N23—C26—H26B109.5O13—N1—O12121.1 (6)
H26A—C26—H26B109.5O13—N1—O11118.5 (5)
N23—C26—H26C109.5O12—N1—O11120.4 (5)
H26A—C26—H26C109.5O23A—N2A—O21A116 (3)
H26B—C26—H26C109.5O23A—N2A—O22A118 (3)
C32—N31—C35106.0 (5)O21A—N2A—O22A121 (3)
C32—N31—Ag2126.5 (3)O23B—N2B—O21B118.4 (11)
C35—N31—Ag2127.4 (4)O23B—N2B—O22B120.1 (13)
N31—C32—N33111.2 (5)O21B—N2B—O22B121.4 (14)
N31—C32—C22123.6 (4)O33—N3—O31119.0 (7)
N33—C32—C22125.1 (5)O33—N3—O32120.9 (7)
C32—N33—C34107.0 (5)O31—N3—O32120.0 (7)
C32—N33—C36127.5 (6)H1A—O1—H1B139.5
C34—N33—C36125.3 (5)H2A—O2—H2B133.2
C35—C34—N33106.9 (5)H3A—O3—H3B126.6
C35—C34—H34126.6O1X—C1X—H1X1109.5
N33—C34—H34126.6O1X—C1X—H1X2109.5
C34—C35—N31108.9 (6)H1X1—C1X—H1X2109.5
C34—C35—H35125.6O1X—C1X—H1X3109.5
N31—C35—H35125.6H1X1—C1X—H1X3109.5
N33—C36—H36A109.5H1X2—C1X—H1X3109.5
N33—C36—H36B109.5C2X—O2X—H2X109.5
H36A—C36—H36B109.5O2X—C2X—H2X1109.5
N33—C36—H36C109.5O2X—C2X—H2X2109.5
H36A—C36—H36C109.5H2X1—C2X—H2X2109.5
H36B—C36—H36C109.5O2X—C2X—H2X3109.5
C42—N41—C45106.3 (4)H2X1—C2X—H2X3109.5
C42—N41—Ag2128.8 (3)H2X2—C2X—H2X3109.5
C45—N41—Ag2124.8 (3)
C15—N11—C12—N130.6 (6)C45—N41—C42—N430.6 (6)
Ag1—N11—C12—N13171.6 (3)Ag2—N41—C42—N43177.3 (3)
C15—N11—C12—C62i178.9 (5)C45—N41—C42—C52178.1 (5)
Ag1—N11—C12—C62i6.7 (7)Ag2—N41—C42—C520.2 (7)
N11—C12—N13—C140.2 (6)N41—C42—N43—C440.1 (6)
C62i—C12—N13—C14178.1 (5)C52—C42—N43—C44177.3 (5)
N11—C12—N13—C16173.3 (5)N41—C42—N43—C46173.8 (5)
C62i—C12—N13—C165.0 (9)C52—C42—N43—C463.6 (9)
C12—N13—C14—C150.9 (7)C42—N43—C44—C450.8 (7)
C16—N13—C14—C15174.3 (6)C46—N43—C44—C45174.9 (5)
N13—C14—C15—N111.2 (8)N43—C44—C45—N411.2 (7)
C12—N11—C15—C141.1 (7)C42—N41—C45—C441.1 (6)
Ag1—N11—C15—C14171.7 (4)Ag2—N41—C45—C44176.9 (4)
C25—N21—C22—N230.2 (6)N61—Ag3—N51—C5230.4 (9)
Ag1—N21—C22—N23169.7 (3)N61—Ag3—N51—C55152.4 (6)
C25—N21—C22—C32177.2 (5)C55—N51—C52—N531.3 (6)
Ag1—N21—C22—C327.3 (7)Ag3—N51—C52—N53176.3 (3)
N21—C22—N23—C240.4 (6)C55—N51—C52—C42179.8 (5)
C32—C22—N23—C24176.4 (5)Ag3—N51—C52—C422.5 (7)
N21—C22—N23—C26174.7 (5)N41—C42—C52—N5150.8 (7)
C32—C22—N23—C262.1 (9)N43—C42—C52—N51126.3 (5)
C22—N23—C24—C250.9 (6)N41—C42—C52—N53127.9 (5)
C26—N23—C24—C25175.4 (5)N43—C42—C52—N5355.0 (7)
C22—N21—C25—C240.8 (6)N51—C52—N53—C540.9 (6)
Ag1—N21—C25—C24169.4 (3)C42—C52—N53—C54179.7 (5)
N23—C24—C25—N211.0 (6)N51—C52—N53—C56172.4 (5)
N41—Ag2—N31—C323.0 (9)C42—C52—N53—C566.4 (8)
N41—Ag2—N31—C35173.6 (5)C52—N53—C54—C550.0 (6)
C35—N31—C32—N330.5 (6)C56—N53—C54—C55173.4 (5)
Ag2—N31—C32—N33177.7 (3)N53—C54—C55—N510.8 (7)
C35—N31—C32—C22178.1 (5)C52—N51—C55—C541.3 (6)
Ag2—N31—C32—C224.7 (7)Ag3—N51—C55—C54176.4 (4)
N21—C22—C32—N3152.0 (7)N51—Ag3—N61—C6211.1 (9)
N23—C22—C32—N31124.4 (6)N51—Ag3—N61—C65170.0 (6)
N21—C22—C32—N33125.3 (5)C65—N61—C62—N630.6 (6)
N23—C22—C32—N3358.3 (8)Ag3—N61—C62—N63179.7 (3)
N31—C32—N33—C340.0 (6)C65—N61—C62—C12ii178.4 (5)
C22—C32—N33—C34177.6 (5)Ag3—N61—C62—C12ii0.7 (7)
N31—C32—N33—C36175.1 (6)N61—C62—N63—C640.5 (6)
C22—C32—N33—C362.5 (9)C12ii—C62—N63—C64178.5 (5)
C32—N33—C34—C350.5 (7)N61—C62—N63—C66174.9 (5)
C36—N33—C34—C35175.7 (6)C12ii—C62—N63—C664.1 (9)
N33—C34—C35—N310.7 (8)C62—N63—C64—C650.2 (7)
C32—N31—C35—C340.8 (7)C66—N63—C64—C65174.9 (6)
Ag2—N31—C35—C34177.9 (4)N63—C64—C65—N610.2 (8)
N31—Ag2—N41—C4232.7 (8)C62—N61—C65—C640.5 (7)
N31—Ag2—N41—C45149.8 (6)Ag3—N61—C65—C64179.6 (4)
Symmetry codes: (i) x+1, y, z; (ii) x1, y, z.
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
O1—H1A···O2iii0.822.032.854 (3)179
O1—H1B···O23Biv0.822.152.974 (18)178
O1—H1B···O23Aiv0.822.182.99 (4)171
O2—H2A···O12v0.822.122.937 (5)177
O2—H2B···O30.822.062.877 (4)177
O3—H3A···O120.822.042.859 (4)179
O3—H3B···O10.821.982.803 (2)179
O1X—H1X···O21B0.822.532.92 (2)111
O2X—H2X···O32vi0.821.972.733 (19)154
Symmetry codes: (iii) x, y+2, z+1; (iv) x, y+3/2, z+1/2; (v) x+1, y+2, z+1; (vi) x, y1/2, z+1/2.
 

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