Poly[dipotassium [(μ6-2,2′,2′′,2′′′-{[pyrazine-2,3,5,6-tetra­yltetra­kis­(methyl­ene)]tetra­kis­(sulfanedi­yl)}tetra­acetato)­disilver(I)] 5.2-hydrate]

Pacifico, J.; Stoeckli-Evans, H.

doi:10.1107/S2414314622000773

Poly[dipotassium [(μ₆-2,2′,2′′,2′′′-{[pyrazine-2,3,5,6-tetrayltetrakis(methylene)]tetrakis(sulfanediyl)}tetraacetato)disilver(I)] 5.2-hydrate]

The reaction of AgNO₃ with the ligand 2,2′,2′′,2′′′-{[pyrazine-2,3,5,6-tetrayltetrakis(methylene)]tetrakis(sulfanediyl)}tetraacetic acid in the presence of a potassium acetate buffer lead to the formation of a silver(I)–potassium–organic framework, poly[dipotassium [(μ₆-2,2′,2′′,2′′′-{[pyrazine-2,3,5,6-tetrayltetrakis(methylene)]tetrakis(sulfanediyl)}tetraacetato)disilver(I)] 5.2-hydrate], {K₂[Ag₂(C₁₆H₁₆N₂O₈S₄)]·5.2H₂O}_n, (I). The asymmetric unit is composed of half a binuclear silver complex located about a center of symmetry, a potassium cation and 2.6 disordered water molecules. The whole binuclear silver complex is generated by inversion symmetry with the pyrazine ring being located about an inversion centre. The ligand coordinates in a bis-tetradentate manner. The binuclear silver complex anions are linked via bridging Ag

Ag zigzag bonds, forming a network lying parallel to the bc plane. The networks are linked by O_carboxylate

K⁺

O_carboxylate bridging bonds to form a framework. The disordered water molecules are present near to the K⁺ cations.

Keywords: crystal structure; pyrazine; carboxylate; tetrakis; silver–potassium–organic framework.

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Supporting information

	Crystallographic Information File (CIF) https://doi.org/10.1107/S2414314622000773/im4015sup1.cif Contains datablocks I, Global
	Structure factor file (CIF format) https://doi.org/10.1107/S2414314622000773/im4015Isup2.hkl Contains datablock I

CCDC reference: 2143798

checkCIF report

Key indicators

Single-crystal X-ray study
T = 153 K
Mean (C-C) = 0.010 Å
H-atom completeness 61%
Disorder in main residue
R factor = 0.048
wR factor = 0.114
Data-to-parameter ratio = 10.6

checkCIF/PLATON results

No syntax errors found



Alert level B
PLAT043_ALERT_1_B Calculated and Reported Mol. Weight Differ by ..       5.24 Check
PLAT232_ALERT_2_B Hirshfeld Test Diff (M-X)  Ag1      --S2_g     .       14.7 s.u.
PLAT430_ALERT_2_B Short Inter D...A Contact  O3       ..O6W      .       2.75 Ang.
                                                1-x,2-y,1-z  =      3_676 Check
PLAT430_ALERT_2_B Short Inter D...A Contact  O3W      ..O6W      .       2.84 Ang.
                                                      x,y,z  =      1_555 Check

Alert level C
DENSD01_ALERT_1_C  The ratio of the submitted crystal density and that
            calculated from the formula is outside the range 0.99 <> 1.01
            Crystal density given    =      2.097
            Calculated crystal density =      2.150
PLAT041_ALERT_1_C Calc. and Reported SumFormula    Strings  Differ     Please Check
PLAT044_ALERT_1_C Calculated and Reported Density Dx  Differ by ..     0.0272 Check
PLAT046_ALERT_1_C Reported Z, MW and D(calc) are Inconsistent ....      2.150 Check
PLAT068_ALERT_1_C Reported F000 Differs from Calcd (or Missing)...     Please Check
PLAT077_ALERT_4_C Unitcell Contains Non-integer Number of Atoms ..     Please Check
PLAT220_ALERT_2_C NonSolvent   Resd 1  O   Ueq(max)/Ueq(min) Range        4.3 Ratio
PLAT260_ALERT_2_C Large Average Ueq of Residue Including       O6W      0.199 Check
PLAT342_ALERT_3_C Low Bond Precision on  C-C Bonds ...............       0.01 Ang.
PLAT410_ALERT_2_C Short Intra H...H Contact  H3A      ..H6A      .       1.96 Ang.
                                                      x,y,z  =      1_555 Check
PLAT906_ALERT_3_C Large K Value in the Analysis of Variance ......      4.880 Check
PLAT911_ALERT_3_C Missing FCF Refl Between Thmin & STh/L=    0.591         27 Report

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:C16 H26.4 Ag2 K2 N2 O13.2 S4
            Atom count from the _atom_site data:  C16 H16 Ag2 K2 N2 O13.2 S4
CELLZ01_ALERT_1_G Difference between formula and atom_site contents detected.
CELLZ01_ALERT_1_G WARNING: H atoms missing from atom site list. Is this intentional?
           From the CIF: _cell_formula_units_Z    2
           From the CIF: _chemical_formula_sum  C16 H26.40 Ag2 K2 N2 O13.20 S4
           TEST: Compare cell contents of formula and atom_site data

           atom    Z*formula  cif sites diff
           C         32.00     32.00    0.00
           H         52.80     32.00   20.80
           Ag         4.00      4.00    0.00
           K          4.00      4.00    0.00
           N          4.00      4.00    0.00
           O         26.40     26.40    0.00
           S          8.00      8.00    0.00
PLAT004_ALERT_5_G Polymeric Structure Found with Maximum Dimension          3 Info
PLAT042_ALERT_1_G Calc. and Reported Moiety Formula Strings Differ     Please Check
PLAT045_ALERT_1_G Calculated and Reported Z Differ by a Factor ...       2.00 Check
PLAT083_ALERT_2_G SHELXL Second Parameter in WGHT  Unusually Large       8.31 Why ?
PLAT300_ALERT_4_G Atom Site Occupancy of O3W        Constrained at        0.5 Check
PLAT300_ALERT_4_G Atom Site Occupancy of O1W        Constrained at        0.3 Check
PLAT300_ALERT_4_G Atom Site Occupancy of O2W        Constrained at        0.3 Check
PLAT300_ALERT_4_G Atom Site Occupancy of O4W        Constrained at        0.4 Check
PLAT300_ALERT_4_G Atom Site Occupancy of O5W        Constrained at        0.3 Check
PLAT300_ALERT_4_G Atom Site Occupancy of O7W        Constrained at        0.3 Check
PLAT300_ALERT_4_G Atom Site Occupancy of O6W        Constrained at        0.5 Check
PLAT301_ALERT_3_G Main Residue  Disorder ..............(Resd  1  )        11% Note
PLAT302_ALERT_4_G Anion/Solvent/Minor-Residue Disorder (Resd  2  )       100% Note
PLAT311_ALERT_2_G Isolated Disordered Oxygen Atom (No H's ?) .....        O6W Check
PLAT395_ALERT_2_G Deviating  X-O-Y   Angle From 120 for O7W      .       96.0 Degree
PLAT764_ALERT_4_G Overcomplete CIF Bond List Detected (Rep/Expd) .       1.30 Ratio
PLAT774_ALERT_1_G Check   X-Y Bond in CIF: Ag1      --K1        ..       4.11 Ang.
PLAT779_ALERT_4_G Suspect or Irrelevant (Bond) Angle(s) in CIF ...        152 Deg.
              O4   -C8   -K1      1.555   1.555   4.566             36.10 Deg.
PLAT779_ALERT_4_G Suspect or Irrelevant (Bond) Angle(s) in CIF ...        160 Deg.
              O5W  -O2W  -O6W     1.555   1.555   1.555             27.00 Deg.
PLAT779_ALERT_4_G Suspect or Irrelevant (Bond) Angle(s) in CIF ...        176 Deg.
              O2W  -O5W  -K1      1.555   1.555   2.655             37.50 Deg.
PLAT779_ALERT_4_G Suspect or Irrelevant (Bond) Angle(s) in CIF ...        181 Deg.
              O5W  -O6W  -O2W     1.555   1.555   1.555             32.00 Deg.
PLAT780_ALERT_1_G Coordinates do not Form a Properly Connected Set     Please Do !
PLAT909_ALERT_3_G Percentage of I>2sig(I) Data at Theta(Max) Still        77% Note
PLAT910_ALERT_3_G Missing # of FCF Reflection(s) Below Theta(Min).          2 Note
PLAT913_ALERT_3_G Missing # of Very Strong Reflections in FCF ....          2 Note
PLAT933_ALERT_2_G Number of HKL-OMIT Records in Embedded .res File          1 Note
PLAT955_ALERT_1_G Reported (CIF) and Actual (FCF) Lmax Differ by .          1 Units
PLAT978_ALERT_2_G Number C-C Bonds with Positive Residual Density.          1 Info

   0 ALERT level A = Most likely a serious problem - resolve or explain
   4 ALERT level B = A potentially serious problem, consider carefully
  12 ALERT level C = Check. Ensure it is not caused by an omission or oversight
  31 ALERT level G = General information/check it is not something unexpected

  13 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
   7 ALERT type 3 Indicator that the structure quality may be low
  14 ALERT type 4 Improvement, methodology, query or suggestion
   1 ALERT type 5 Informative message, check

Computing details top

Data collection: X-AREA (Stoe & Cie, 2002); cell refinement: X-AREA (Stoe & Cie, 2002); data reduction: X-RED32 (Stoe & Cie, 2002); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL2018/3 (Sheldrick, 2015); molecular graphics: PLATON (Spek, 2020) and Mercury (Macrae et al., 2020); software used to prepare material for publication: SHELXL2018/3 (Sheldrick, 2015), PLATON (Spek, 2020) and publCIF (Westrip, 2010).

Poly[dipotassium [(µ₆-2,2',2'',2'''-{[pyrazine-2,3,5,6-tetrayltetrakis(methylene)]tetrakis(sulfanediyl)}tetraacetato)disilver(I)] 5.2-hydrate] top

Crystal data top

K₂[Ag₂(C₁₆H₁₆N₂O₈S₄)]5.2H₂O	F(000) = 852
M_r = 880.17	D_x = 2.097 Mg m⁻³
Monoclinic, P2₁/c	Mo Kα radiation, λ = 0.71073 Å
a = 13.386 (3) Å	Cell parameters from 17882 reflections
b = 6.0085 (7) Å	θ = 1.6–24.9°
c = 17.843 (3) Å	µ = 2.12 mm⁻¹
β = 108.657 (15)°	T = 153 K
V = 1359.7 (4) Å³	Rod, yellow
Z = 2	0.24 × 0.13 × 0.05 mm

Data collection top

Stoe IPDS 2 diffractometer	2316 independent reflections
Radiation source: fine-focus sealed tube	2088 reflections with I > 2σ(I)
Plane graphite monochromator	R_int = 0.043
φ + ω scans	θ_max = 24.8°, θ_min = 2.4°
Absorption correction: multi-scan (MULABS; Spek, 2020)	h = −15→15
T_min = 0.611, T_max = 1.000	k = −7→6
9305 measured reflections	l = −20→21

Refinement top

Refinement on F²	Secondary atom site location: difference Fourier map
Least-squares matrix: full	Hydrogen site location: inferred from neighbouring sites
R[F² > 2σ(F²)] = 0.048	H-atom parameters constrained
wR(F²) = 0.114	w = 1/[σ²(F_o²) + (0.0335P)² + 8.3123P] where P = (F_o² + 2F_c²)/3
S = 1.17	(Δ/σ)_max < 0.001
2316 reflections	Δρ_max = 1.14 e Å⁻³
218 parameters	Δρ_min = −1.10 e Å⁻³
0 restraints	Extinction correction: (SHELXL2018/3; Sheldrick, 2015), Fc^*=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4
Primary atom site location: structure-invariant direct methods	Extinction coefficient: 0.0058 (8)

Special details top

Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes.

Refinement. The C-bound H atoms were included in calculated positions and treated as riding on their parent C atom: C—H = 0.99 Å with U_iso(H) = 1.2U_eq(C).

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å²) top

	x	y	z	U_iso*/U_eq	Occ. (<1)
Ag1	−0.11736 (5)	0.22235 (9)	0.29645 (3)	0.0422 (2)
K1	0.42397 (15)	−0.0830 (3)	0.31383 (13)	0.0662 (6)
S1	0.07736 (14)	0.4594 (3)	0.30640 (9)	0.0383 (4)
S2	0.13892 (15)	1.0313 (3)	0.57635 (11)	0.0456 (5)
O1	0.1777 (5)	0.0832 (8)	0.2686 (3)	0.0534 (13)
O2	0.2813 (5)	−0.0081 (9)	0.3913 (3)	0.0602 (15)
O3	0.4123 (4)	1.1764 (10)	0.7406 (4)	0.0625 (15)
O4	0.3022 (5)	0.8947 (10)	0.7311 (3)	0.0617 (15)
N1	−0.0564 (4)	0.4506 (9)	0.4235 (3)	0.0363 (13)
C1	0.0288 (5)	0.5773 (10)	0.4399 (3)	0.0335 (14)
C2	0.0881 (5)	0.6285 (10)	0.5180 (4)	0.0367 (15)
C3	0.0533 (6)	0.6731 (11)	0.3695 (4)	0.0392 (15)
H3A	0.116280	0.769845	0.388415	0.047*
H3B	−0.006596	0.766385	0.338485	0.047*
C4	0.1990 (6)	0.3419 (12)	0.3732 (4)	0.0486 (18)
H4A	0.258373	0.444967	0.377860	0.058*
H4B	0.192240	0.321755	0.426414	0.058*
C5	0.2207 (6)	0.1200 (12)	0.3415 (5)	0.0478 (18)
C6	0.1824 (6)	0.7758 (11)	0.5427 (4)	0.0397 (15)
H6A	0.208510	0.805366	0.497629	0.048*
H6B	0.239747	0.706121	0.585903	0.048*
C7	0.2611 (6)	1.1711 (12)	0.6282 (5)	0.0508 (18)
H7A	0.303971	1.179423	0.592207	0.061*
H7B	0.244080	1.325716	0.638995	0.061*
C8	0.3293 (6)	1.0693 (13)	0.7059 (5)	0.052 (2)
O1W	0.479 (2)	0.483 (5)	0.3773 (16)	0.072 (7)	0.3
O2W	0.4522 (18)	0.660 (4)	0.0890 (13)	0.071 (6)	0.3
O3W	0.4365 (15)	0.538 (4)	0.0344 (9)	0.123 (7)	0.5
O4W	0.4421 (18)	0.285 (3)	0.0195 (13)	0.105 (7)	0.4
O5W	0.4629 (16)	0.844 (4)	0.0802 (13)	0.057 (5)	0.3
O6W	0.451 (3)	0.951 (7)	0.115 (2)	0.198 (17)	0.5
O7W	0.556 (4)	0.047 (9)	0.009 (3)	0.23 (3)	0.3

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
Ag1	0.0620 (4)	0.0363 (3)	0.0386 (3)	−0.0055 (2)	0.0305 (3)	−0.0060 (2)
K1	0.0607 (11)	0.0602 (12)	0.0891 (14)	0.0039 (9)	0.0400 (10)	0.0048 (10)
S1	0.0579 (11)	0.0325 (8)	0.0332 (8)	−0.0005 (7)	0.0266 (8)	−0.0006 (7)
S2	0.0552 (11)	0.0347 (9)	0.0531 (11)	−0.0041 (8)	0.0261 (9)	−0.0089 (8)
O1	0.082 (4)	0.037 (3)	0.050 (3)	0.003 (3)	0.034 (3)	−0.002 (2)
O2	0.069 (4)	0.053 (3)	0.067 (3)	0.011 (3)	0.033 (3)	0.015 (3)
O3	0.059 (4)	0.059 (4)	0.075 (4)	−0.012 (3)	0.030 (3)	−0.018 (3)
O4	0.070 (4)	0.057 (3)	0.064 (4)	−0.007 (3)	0.030 (3)	0.005 (3)
N1	0.057 (4)	0.031 (3)	0.028 (3)	−0.002 (3)	0.024 (2)	−0.001 (2)
C1	0.050 (4)	0.028 (3)	0.030 (3)	0.000 (3)	0.025 (3)	−0.004 (3)
C2	0.055 (4)	0.027 (3)	0.039 (3)	0.001 (3)	0.031 (3)	−0.001 (3)
C3	0.064 (4)	0.032 (3)	0.030 (3)	−0.003 (3)	0.028 (3)	−0.001 (3)
C4	0.063 (5)	0.045 (4)	0.045 (4)	0.002 (4)	0.028 (4)	0.004 (3)
C5	0.059 (5)	0.034 (4)	0.065 (5)	0.003 (3)	0.040 (4)	0.010 (4)
C6	0.059 (4)	0.032 (3)	0.039 (3)	−0.005 (3)	0.030 (3)	−0.007 (3)
C7	0.065 (5)	0.036 (4)	0.058 (5)	−0.010 (3)	0.030 (4)	−0.005 (3)
C8	0.057 (5)	0.045 (4)	0.069 (5)	−0.013 (4)	0.039 (4)	−0.019 (4)
O1W	0.081 (17)	0.052 (12)	0.066 (14)	0.000 (13)	0.000 (13)	0.017 (11)
O2W	0.084 (15)	0.055 (14)	0.060 (13)	−0.001 (11)	0.003 (11)	−0.004 (11)
O3W	0.123 (15)	0.18 (2)	0.065 (10)	0.040 (14)	0.024 (9)	−0.005 (12)
O4W	0.113 (17)	0.077 (13)	0.111 (16)	0.001 (12)	0.016 (13)	0.011 (12)
O5W	0.044 (11)	0.043 (12)	0.062 (13)	0.006 (9)	−0.015 (9)	0.000 (10)
O6W	0.22 (4)	0.16 (3)	0.21 (3)	0.05 (3)	0.06 (3)	−0.01 (3)
O7W	0.21 (5)	0.21 (5)	0.16 (4)	0.08 (5)	−0.09 (4)	−0.02 (4)

Geometric parameters (Å, º) top

Ag1—N1	2.550 (5)	O4—C8	1.241 (9)
Ag1—O1ⁱ	2.470 (5)	N1—C1	1.324 (8)
Ag1—O4ⁱⁱ	2.466 (6)	N1—C2ⁱⁱ	1.334 (8)
Ag1—S1	2.926 (2)	C1—C2	1.399 (9)
Ag1—S1ⁱⁱⁱ	2.604 (2)	C1—C3	1.509 (8)
Ag1—S2ⁱⁱ	2.824 (2)	C2—C6	1.489 (10)
Ag1—K1ⁱ	4.113 (2)	C3—H3A	0.9900
K1—O2W^iv	2.46 (2)	C3—H3B	0.9900
K1—O1	3.289 (6)	C4—C5	1.512 (10)
K1—O2	2.729 (6)	C4—H4A	0.9900
K1—O3^v	2.724 (6)	C4—H4B	0.9900
K1—O3^vi	2.751 (6)	C6—H6A	0.9900
K1—O4^vii	2.608 (6)	C6—H6B	0.9900
K1—O1W^viii	2.84 (3)	C7—C8	1.523 (12)
K1—O3W^iv	2.848 (17)	C7—H7A	0.9900
K1—O4W^iv	3.05 (2)	C7—H7B	0.9900
K1—C5	3.162 (7)	O1W—O6W^iv	0.93 (4)
K1—O5W^iv	3.26 (2)	O1W—O5W^iv	1.22 (4)
K1—O6W^ix	3.30 (4)	O2W—O5W	1.13 (3)
S1—C3	1.803 (6)	O2W—O3W	1.19 (3)
S1—C4	1.824 (8)	O2W—O6W	1.81 (4)
S2—C7	1.808 (8)	O3W—O4W	1.55 (3)
S2—C6	1.811 (7)	O5W—O6W	0.94 (4)
O1—C5	1.263 (9)	O5W—O7W^x	1.66 (6)
O2—C5	1.256 (9)	O7W—O7W^xi	1.53 (11)
O3—C8	1.262 (9)

O4ⁱⁱ—Ag1—O1ⁱ	90.01 (19)	C7—S2—C6	103.3 (4)
O4ⁱⁱ—Ag1—N1	110.25 (18)	C7—S2—Ag1ⁱⁱ	98.5 (3)
O1ⁱ—Ag1—N1	84.78 (17)	C6—S2—Ag1ⁱⁱ	86.3 (2)
O4ⁱⁱ—Ag1—S1ⁱⁱⁱ	96.08 (14)	C5—O1—Ag1ⁱⁱⁱ	127.6 (5)
O1ⁱ—Ag1—S1ⁱⁱⁱ	108.15 (12)	C5—O1—K1	73.1 (4)
N1—Ag1—S1ⁱⁱⁱ	150.87 (13)	Ag1ⁱⁱⁱ—O1—K1	90.02 (15)
O4ⁱⁱ—Ag1—S2ⁱⁱ	69.66 (14)	C5—O2—K1	98.2 (4)
O1ⁱ—Ag1—S2ⁱⁱ	138.52 (12)	C8—O3—K1^v	113.7 (5)
N1—Ag1—S2ⁱⁱ	70.23 (12)	C8—O3—K1^xii	126.4 (5)
S1ⁱⁱⁱ—Ag1—S2ⁱⁱ	109.63 (5)	K1^v—O3—K1^xii	115.0 (2)
O4ⁱⁱ—Ag1—S1	165.62 (14)	C8—O4—Ag1ⁱⁱ	124.0 (6)
O1ⁱ—Ag1—S1	75.65 (14)	C8—O4—K1^xiii	127.6 (5)
N1—Ag1—S1	70.04 (12)	Ag1ⁱⁱ—O4—K1^xiii	108.3 (2)
S1ⁱⁱⁱ—Ag1—S1	87.60 (4)	C1—N1—C2ⁱⁱ	119.9 (6)
S2ⁱⁱ—Ag1—S1	122.15 (6)	C1—N1—Ag1	120.9 (4)
O4ⁱⁱ—Ag1—K1ⁱ	37.02 (14)	C2ⁱⁱ—N1—Ag1	114.4 (4)
O1ⁱ—Ag1—K1ⁱ	53.08 (13)	N1—C1—C2	121.4 (5)
N1—Ag1—K1ⁱ	105.00 (13)	N1—C1—C3	115.9 (6)
S1ⁱⁱⁱ—Ag1—K1ⁱ	103.54 (5)	C2—C1—C3	122.7 (6)
S2ⁱⁱ—Ag1—K1ⁱ	101.25 (5)	N1ⁱⁱ—C2—C1	118.7 (6)
S1—Ag1—K1ⁱ	128.60 (5)	N1ⁱⁱ—C2—C6	115.6 (6)
Ag1ⁱ—S1—Ag1	129.26 (7)	C1—C2—C6	125.6 (5)
O2W^iv—K1—O4^vii	169.6 (6)	C1—C3—S1	112.2 (4)
O2W^iv—K1—O3^v	86.3 (6)	C1—C3—H3A	109.2
O4^vii—K1—O3^v	94.50 (18)	S1—C3—H3A	109.2
O2W^iv—K1—O2	88.2 (6)	C1—C3—H3B	109.2
O4^vii—K1—O2	89.60 (19)	S1—C3—H3B	109.2
O3^v—K1—O2	170.9 (2)	H3A—C3—H3B	107.9
O2W^iv—K1—O3^vi	74.4 (6)	C5—C4—S1	109.6 (5)
O4^vii—K1—O3^vi	116.0 (2)	C5—C4—H4A	109.7
O3^v—K1—O3^vi	86.76 (14)	S1—C4—H4A	109.7
O2—K1—O3^vi	98.72 (18)	C5—C4—H4B	109.7
O2W^iv—K1—O1W^viii	103.5 (8)	S1—C4—H4B	109.7
O4^vii—K1—O1W^viii	66.6 (6)	H4A—C4—H4B	108.2
O3^v—K1—O1W^viii	79.4 (6)	O2—C5—O1	126.8 (7)
O2—K1—O1W^viii	94.8 (6)	O2—C5—C4	115.7 (7)
O3^vi—K1—O1W^viii	166.2 (6)	O1—C5—C4	117.4 (7)
O2W^iv—K1—O3W^iv	24.4 (6)	O2—C5—K1	58.7 (4)
O4^vii—K1—O3W^iv	145.2 (5)	O1—C5—K1	84.4 (4)
O3^v—K1—O3W^iv	91.9 (4)	C4—C5—K1	132.6 (5)
O2—K1—O3W^iv	80.2 (4)	C2—C6—S2	105.7 (5)
O3^vi—K1—O3W^iv	98.4 (5)	C2—C6—H6A	110.6
O1W^viii—K1—O3W^iv	81.2 (8)	S2—C6—H6A	110.6
O2W^iv—K1—O4W^iv	54.0 (7)	C2—C6—H6B	110.6
O4^vii—K1—O4W^iv	115.6 (4)	S2—C6—H6B	110.6
O3^v—K1—O4W^iv	90.3 (5)	H6A—C6—H6B	108.7
O2—K1—O4W^iv	80.6 (5)	C8—C7—S2	117.4 (5)
O3^vi—K1—O4W^iv	128.4 (4)	C8—C7—H7A	108.0
O1W^viii—K1—O4W^iv	51.4 (7)	S2—C7—H7A	108.0
O3W^iv—K1—O4W^iv	30.2 (6)	C8—C7—H7B	108.0
O2W^iv—K1—C5	94.6 (6)	S2—C7—H7B	108.0
O4^vii—K1—C5	87.3 (2)	H7A—C7—H7B	107.2
O3^v—K1—C5	165.0 (2)	O4—C8—O3	124.6 (9)
O2—K1—C5	23.16 (17)	O4—C8—C7	120.7 (7)
O3^vi—K1—C5	79.11 (18)	O3—C8—C7	114.8 (7)
O1W^viii—K1—C5	114.7 (6)	O4—C8—K1^v	117.4 (5)
O3W^iv—K1—C5	95.1 (5)	O3—C8—K1^v	46.6 (4)
O4W^iv—K1—C5	102.4 (5)	C7—C8—K1^v	102.3 (4)
O2W^iv—K1—O5W^iv	16.3 (6)	O4—C8—K1^xiii	36.1 (4)
O4^vii—K1—O5W^iv	169.7 (4)	O3—C8—K1^xiii	92.8 (5)
O3^v—K1—O5W^iv	95.3 (4)	C7—C8—K1^xiii	147.2 (5)
O2—K1—O5W^iv	81.2 (5)	K1^v—C8—K1^xiii	83.44 (19)
O3^vi—K1—O5W^iv	61.4 (4)	O6W^iv—O1W—O5W^iv	50 (3)
O1W^viii—K1—O5W^iv	118.5 (7)	O6W^iv—O1W—K1^xiv	112 (4)
O3W^iv—K1—O5W^iv	37.5 (6)	O5W^iv—O1W—K1^xiv	155 (2)
O4W^iv—K1—O5W^iv	67.6 (5)	O5W—O2W—O3W	119 (3)
C5—K1—O5W^iv	82.5 (4)	O5W—O2W—O6W	27 (2)
O2W^iv—K1—O1	112.9 (6)	O3W—O2W—O6W	143 (2)
O4^vii—K1—O1	71.53 (16)	O5W—O2W—K1^xv	126.2 (17)
O3^v—K1—O1	146.36 (18)	O3W—O2W—K1^xv	96.4 (16)
O2—K1—O1	42.72 (15)	O6W—O2W—K1^xv	117.0 (16)
O3^vi—K1—O1	73.37 (15)	O2W—O3W—O4W	138 (2)
O1W^viii—K1—O1	119.2 (6)	O2W—O3W—K1^xv	59.1 (13)
O3W^iv—K1—O1	117.2 (5)	O4W—O3W—K1^xv	82.0 (11)
O4W^iv—K1—O1	123.3 (5)	O3W—O4W—K1^xv	67.8 (10)
C5—K1—O1	22.47 (17)	O6W—O5W—O2W	121 (4)
O5W^iv—K1—O1	98.4 (4)	O6W—O5W—O1W^xv	49 (3)
O2W^iv—K1—O6W^ix	95.0 (8)	O2W—O5W—O1W^xv	131 (2)
O4^vii—K1—O6W^ix	76.0 (7)	O6W—O5W—O7W^x	111 (4)
O3^v—K1—O6W^ix	66.1 (7)	O2W—O5W—O7W^x	122 (3)
O2—K1—O6W^ix	107.3 (7)	O1W^xv—O5W—O7W^x	101 (3)
O3^vi—K1—O6W^ix	151.6 (7)	O6W—O5W—K1^xv	107 (3)
O1W^viii—K1—O6W^ix	15.1 (8)	O2W—O5W—K1^xv	37.5 (13)
O3W^iv—K1—O6W^ix	75.6 (9)	O1W^xv—O5W—K1^xv	95.3 (16)
O4W^iv—K1—O6W^ix	48.4 (8)	O7W^x—O5W—K1^xv	140 (2)
C5—K1—O6W^ix	128.6 (7)	O1W^xv—O6W—O5W	82 (4)
O5W^iv—K1—O6W^ix	111.1 (7)	O1W^xv—O6W—O2W	98 (4)
O1—K1—O6W^ix	134.3 (7)	O5W—O6W—O2W	32 (2)
C3—S1—C4	99.7 (3)	O1W^xv—O6W—K1^xvi	53 (3)
C3—S1—Ag1ⁱ	97.3 (2)	O5W—O6W—K1^xvi	131 (4)
C4—S1—Ag1ⁱ	110.7 (2)	O2W—O6W—K1^xvi	151 (2)
C3—S1—Ag1	92.9 (2)	O7W^xi—O7W—O5W^x	96 (3)
C4—S1—Ag1	116.3 (3)

C2ⁱⁱ—N1—C1—C2	0.9 (10)	K1^xii—O3—C8—C7	70.3 (8)
Ag1—N1—C1—C2	−153.3 (5)	K1^xii—O3—C8—K1^v	153.8 (8)
C2ⁱⁱ—N1—C1—C3	−175.4 (6)	K1^v—O3—C8—K1^xiii	78.2 (4)
Ag1—N1—C1—C3	30.4 (7)	K1^xii—O3—C8—K1^xiii	−128.0 (4)
N1—C1—C2—N1ⁱⁱ	−0.9 (10)	S2—C7—C8—O4	1.5 (10)
C3—C1—C2—N1ⁱⁱ	175.2 (6)	S2—C7—C8—O3	−178.3 (5)
N1—C1—C2—C6	−177.5 (6)	S2—C7—C8—K1^v	134.0 (4)
C3—C1—C2—C6	−1.4 (10)	S2—C7—C8—K1^xiii	37.0 (11)
N1—C1—C3—S1	−61.4 (7)	O5W—O2W—O3W—O4W	162 (3)
C2—C1—C3—S1	122.3 (6)	O6W—O2W—O3W—O4W	179 (3)
C4—S1—C3—C1	−66.2 (6)	K1^xv—O2W—O3W—O4W	24 (3)
Ag1ⁱ—S1—C3—C1	−178.7 (5)	O5W—O2W—O3W—K1^xv	138 (3)
Ag1—S1—C3—C1	51.1 (5)	O6W—O2W—O3W—K1^xv	155 (4)
C3—S1—C4—C5	165.4 (5)	O2W—O3W—O4W—K1^xv	−21 (3)
Ag1ⁱ—S1—C4—C5	−93.0 (5)	O3W—O2W—O5W—O6W	157 (4)
Ag1—S1—C4—C5	67.3 (5)	K1^xv—O2W—O5W—O6W	−78 (4)
K1—O2—C5—O1	53.3 (8)	O3W—O2W—O5W—O1W^xv	−143 (3)
K1—O2—C5—C4	−125.8 (5)	O6W—O2W—O5W—O1W^xv	60 (4)
Ag1ⁱⁱⁱ—O1—C5—O2	33.0 (11)	K1^xv—O2W—O5W—O1W^xv	−18 (5)
K1—O1—C5—O2	−43.5 (7)	O3W—O2W—O5W—O7W^x	7 (4)
Ag1ⁱⁱⁱ—O1—C5—C4	−147.9 (5)	O6W—O2W—O5W—O7W^x	−150 (6)
K1—O1—C5—C4	135.6 (6)	K1^xv—O2W—O5W—O7W^x	132 (3)
Ag1ⁱⁱⁱ—O1—C5—K1	76.5 (5)	O3W—O2W—O5W—K1^xv	−125 (4)
S1—C4—C5—O2	−159.1 (5)	O6W—O2W—O5W—K1^xv	78 (4)
S1—C4—C5—O1	21.6 (8)	O2W—O5W—O6W—O1W^xv	120 (4)
S1—C4—C5—K1	130.8 (5)	O7W^x—O5W—O6W—O1W^xv	−87 (4)
N1ⁱⁱ—C2—C6—S2	−70.4 (7)	K1^xv—O5W—O6W—O1W^xv	81 (4)
C1—C2—C6—S2	106.2 (6)	O1W^xv—O5W—O6W—O2W	−120 (4)
C7—S2—C6—C2	165.8 (5)	O7W^x—O5W—O6W—O2W	153 (5)
Ag1ⁱⁱ—S2—C6—C2	68.0 (4)	K1^xv—O5W—O6W—O2W	−39 (2)
C6—S2—C7—C8	−69.2 (6)	O2W—O5W—O6W—K1^xvi	142 (3)
Ag1ⁱⁱ—S2—C7—C8	18.9 (6)	O1W^xv—O5W—O6W—K1^xvi	22 (2)
Ag1ⁱⁱ—O4—C8—O3	150.8 (6)	O7W^x—O5W—O6W—K1^xvi	−65 (5)
K1^xiii—O4—C8—O3	−32.5 (10)	K1^xv—O5W—O6W—K1^xvi	103 (4)
Ag1ⁱⁱ—O4—C8—C7	−29.0 (9)	O5W—O2W—O6W—O1W^xv	−60 (5)
K1^xiii—O4—C8—C7	147.7 (6)	O3W—O2W—O6W—O1W^xv	−94 (5)
Ag1ⁱⁱ—O4—C8—K1^v	−154.8 (3)	K1^xv—O2W—O6W—O1W^xv	58 (5)
K1^xiii—O4—C8—K1^v	21.9 (8)	O3W—O2W—O6W—O5W	−34 (6)
Ag1ⁱⁱ—O4—C8—K1^xiii	−176.7 (9)	K1^xv—O2W—O6W—O5W	118 (4)
K1^v—O3—C8—O4	96.7 (8)	O5W—O2W—O6W—K1^xvi	−72 (5)
K1^xii—O3—C8—O4	−109.5 (8)	O3W—O2W—O6W—K1^xvi	−106 (5)
K1^v—O3—C8—C7	−83.5 (7)	K1^xv—O2W—O6W—K1^xvi	45 (5)

Symmetry codes: (i) −x, y+1/2, −z+1/2; (ii) −x, −y+1, −z+1; (iii) −x, y−1/2, −z+1/2; (iv) −x+1, y−1/2, −z+1/2; (v) −x+1, −y+1, −z+1; (vi) x, −y+3/2, z−1/2; (vii) x, −y+1/2, z−1/2; (viii) x, y−1, z; (ix) −x+1, y−3/2, −z+1/2; (x) −x+1, −y+1, −z; (xi) −x+1, −y, −z; (xii) x, −y+3/2, z+1/2; (xiii) x, −y+1/2, z+1/2; (xiv) x, y+1, z; (xv) −x+1, y+1/2, −z+1/2; (xvi) −x+1, y+3/2, −z+1/2.

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Poly[dipotassium [(μ6-2,2′,2′′,2′′′-{[pyrazine-2,3,5,6-tetra­yltetra­kis­(methyl­ene)]tetra­kis­(sulfanedi­yl)}tetra­acetato)­disilver(I)] 5.2-hydrate]

Supporting information

Key indicators

checkCIF/PLATON results

Poly[dipotassium [(μ₆-2,2′,2′′,2′′′-{[pyrazine-2,3,5,6-tetrayltetrakis(methylene)]tetrakis(sulfanediyl)}tetraacetato)disilver(I)] 5.2-hydrate]