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Among the potential applications of coordination polymers, electrical conductivity ranks high in technological interest. We report the synthesis, crystal structure and spectroscopic analysis of an Ag
I–thiosaccharinate one-dimensional coordination polymer {systematic name:
catena-poly[[[aquatetrakis(μ
3-1,1-dioxo-1,2-benzisothiazole-3-thiolato-κ
3N:
S3:
S3)tetrasilver(I)]-μ
2-4,4′-(propane-1,3-diyl)dipyridine-κ
2N:
N′] dimethyl sulfoxide hemisolvate]}, {[Ag
4(C
7H
4NO
2S
2)
4(C
13H
14N
2)(H
2O)]·0.5C
2H
6OS}
n, with the 4,4′-(propane-1,3-diyl)dipyridine ligand acting as a spacer. A relevant feature of the structure is the presence of an unusually short Ag
Ag distance of 2.8306 (9) Å, well within the range of argentophilic interactions, confirmed experimentally as such by a Raman study on the low-frequency spectrum, and corroborated theoretically by an Atoms in Molecules (AIM) analysis of the calculated electron density. Electrical conductivity measurements show that this complex can act as a semiconductor with moderate conductivity.
Supporting information
CCDC reference: 1814355
Data collection: CrysAlis PRO (Rigaku OD, 2015); cell refinement: CrysAlis PRO (Rigaku OD, 2015); data reduction: CrysAlis PRO (Rigaku OD, 2015); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL2014 (Sheldrick, 2015); molecular graphics: XP in SHELXTL (Sheldrick, 2008); software used to prepare material for publication: SHELXL2014 (Sheldrick, 2015) and PLATON (Spek, 2009).
catena-Poly[[[aquatetrakis(µ
3-1,1-dioxo-1,2-benzisothiazole-3-thiolato-
κ3N:
S3:
S3)tetrasilver(I)]-µ
2-4,4'-(propane-1,3-dyl)dipyridine-
κ2N:
N']
dimethyl sulfoxide hemisolvate]
top
Crystal data top
[Ag4(C7H4NO2S2)4(C13H14N2)(H2O)]·0.5C2H6OS | Z = 2 |
Mr = 1479.75 | F(000) = 1458 |
Triclinic, P1 | Dx = 1.854 Mg m−3 |
a = 13.7710 (4) Å | Mo Kα radiation, λ = 0.71073 Å |
b = 13.9822 (4) Å | Cell parameters from 6300 reflections |
c = 14.7181 (5) Å | θ = 3.6–26.1° |
α = 81.074 (3)° | µ = 1.85 mm−1 |
β = 79.523 (3)° | T = 290 K |
γ = 73.152 (3)° | Fragment, yellow |
V = 2651.23 (15) Å3 | 0.42 × 0.30 × 0.10 mm |
Data collection top
Rigaku OD Xcalibur Eos Gemini diffractometer | 11551 independent reflections |
Radiation source: fine-focus sealed X-ray tube, Enhance (Mo) X-ray Source | 7060 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.032 |
Detector resolution: 16.0604 pixels mm-1 | θmax = 29.0°, θmin = 3.0° |
ω scans | h = −17→14 |
Absorption correction: multi-scan (CrysAlis PRO; Rigaku OD, 2015) | k = −19→18 |
Tmin = 0.50, Tmax = 0.85 | l = −19→19 |
26030 measured reflections | |
Refinement top
Refinement on F2 | 62 restraints |
Least-squares matrix: full | Hydrogen site location: mixed |
R[F2 > 2σ(F2)] = 0.056 | H atoms treated by a mixture of independent and constrained refinement |
wR(F2) = 0.158 | w = 1/[σ2(Fo2) + (0.0606P)2 + 6.6052P] where P = (Fo2 + 2Fc2)/3 |
S = 1.03 | (Δ/σ)max = 0.001 |
11551 reflections | Δρmax = 1.17 e Å−3 |
659 parameters | Δρmin = −0.85 e Å−3 |
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. |
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top | x | y | z | Uiso*/Ueq | Occ. (<1) |
Ag1 | 0.65543 (5) | 0.22505 (5) | 0.46035 (4) | 0.07203 (19) | |
Ag2 | 0.88094 (4) | 0.27268 (4) | 0.23224 (4) | 0.06322 (17) | |
Ag3 | 0.76014 (5) | 0.09579 (5) | 0.32270 (4) | 0.06839 (18) | |
Ag4 | 0.66209 (5) | 0.30577 (4) | 0.23040 (5) | 0.07152 (19) | |
S11 | 0.84966 (13) | 0.21588 (13) | 0.59344 (11) | 0.0551 (4) | |
S21 | 0.92920 (14) | 0.10318 (14) | 0.33902 (11) | 0.0610 (5) | |
O11 | 0.8151 (4) | 0.1529 (4) | 0.6700 (3) | 0.0688 (13) | |
O21 | 0.8090 (4) | 0.3215 (4) | 0.5947 (4) | 0.0749 (14) | |
N11 | 0.8288 (4) | 0.1844 (4) | 0.4955 (3) | 0.0562 (14) | |
C11 | 0.9170 (5) | 0.1469 (5) | 0.4442 (4) | 0.0538 (16) | |
C21 | 1.0095 (5) | 0.1425 (5) | 0.4830 (4) | 0.0512 (15) | |
C31 | 1.1124 (6) | 0.1069 (6) | 0.4467 (5) | 0.069 (2) | |
H31 | 1.131614 | 0.079417 | 0.390412 | 0.083* | |
C41 | 1.1838 (6) | 0.1136 (7) | 0.4961 (6) | 0.084 (3) | |
H41 | 1.252856 | 0.091592 | 0.472183 | 0.100* | |
C51 | 1.1575 (7) | 0.1517 (7) | 0.5798 (6) | 0.086 (3) | |
H51 | 1.208629 | 0.154018 | 0.612192 | 0.104* | |
C61 | 1.0564 (6) | 0.1865 (6) | 0.6168 (5) | 0.0663 (19) | |
H61 | 1.038097 | 0.213381 | 0.673411 | 0.080* | |
C71 | 0.9836 (5) | 0.1804 (5) | 0.5678 (4) | 0.0508 (15) | |
S12 | 0.90767 (14) | 0.45315 (14) | 0.35417 (13) | 0.0613 (5) | |
S22 | 0.62518 (13) | 0.40188 (13) | 0.36506 (14) | 0.0599 (4) | |
O12 | 0.9364 (4) | 0.5197 (5) | 0.2777 (4) | 0.0888 (17) | |
O22 | 0.9875 (4) | 0.3742 (4) | 0.3914 (4) | 0.0771 (15) | |
N12 | 0.8226 (4) | 0.4027 (4) | 0.3260 (4) | 0.0542 (13) | |
C12 | 0.7336 (5) | 0.4323 (5) | 0.3765 (4) | 0.0547 (16) | |
C22 | 0.7294 (5) | 0.5008 (5) | 0.4466 (5) | 0.0561 (16) | |
C32 | 0.6476 (6) | 0.5427 (6) | 0.5116 (6) | 0.073 (2) | |
H32 | 0.583357 | 0.532327 | 0.514579 | 0.087* | |
C42 | 0.6658 (8) | 0.6011 (7) | 0.5723 (7) | 0.099 (3) | |
H42 | 0.613532 | 0.627817 | 0.618554 | 0.118* | |
C52 | 0.7595 (9) | 0.6196 (7) | 0.5647 (8) | 0.101 (3) | |
H52 | 0.768754 | 0.660994 | 0.604262 | 0.121* | |
C62 | 0.8403 (7) | 0.5784 (6) | 0.5000 (6) | 0.081 (2) | |
H62 | 0.904173 | 0.590096 | 0.495595 | 0.097* | |
C72 | 0.8223 (6) | 0.5191 (5) | 0.4420 (5) | 0.0603 (17) | |
S13 | 0.77183 (17) | −0.04495 (15) | 0.14420 (12) | 0.0661 (5) | |
S23 | 0.79677 (17) | 0.24580 (16) | 0.09670 (13) | 0.0706 (5) | |
O13 | 0.6707 (5) | −0.0539 (5) | 0.1495 (4) | 0.0920 (18) | |
O23 | 0.8391 (6) | −0.1206 (5) | 0.1963 (4) | 0.099 (2) | |
N13 | 0.7665 (5) | 0.0683 (4) | 0.1702 (4) | 0.0658 (16) | |
C13 | 0.8007 (6) | 0.1233 (6) | 0.0992 (4) | 0.0605 (18) | |
C23 | 0.8414 (5) | 0.0700 (6) | 0.0148 (4) | 0.0565 (17) | |
C33 | 0.8920 (6) | 0.1030 (6) | −0.0706 (5) | 0.072 (2) | |
H33 | 0.903369 | 0.166448 | −0.082209 | 0.086* | |
C43 | 0.9246 (6) | 0.0342 (7) | −0.1378 (5) | 0.078 (2) | |
H43 | 0.958826 | 0.053267 | −0.195180 | 0.094* | |
C53 | 0.9087 (6) | −0.0566 (7) | −0.1227 (6) | 0.080 (2) | |
H53 | 0.929421 | −0.097954 | −0.170315 | 0.096* | |
C63 | 0.8618 (6) | −0.0909 (6) | −0.0375 (5) | 0.0645 (18) | |
H63 | 0.852797 | −0.155356 | −0.026103 | 0.077* | |
C73 | 0.8295 (5) | −0.0260 (5) | 0.0287 (4) | 0.0566 (16) | |
S14 | 0.4768 (3) | 0.2283 (3) | 0.1562 (4) | 0.1564 (19) | |
S24 | 0.58604 (17) | 0.09204 (16) | 0.40010 (14) | 0.0744 (6) | |
O14 | 0.5430 (12) | 0.2127 (11) | 0.0714 (8) | 0.224 (8) | |
O24 | 0.4002 (9) | 0.3222 (7) | 0.1609 (11) | 0.239 (8) | |
N14 | 0.5432 (5) | 0.2110 (5) | 0.2431 (6) | 0.093 (2) | |
C14 | 0.5281 (5) | 0.1352 (5) | 0.3060 (6) | 0.070 (2) | |
C24 | 0.4566 (6) | 0.0842 (6) | 0.2798 (8) | 0.084 (3) | |
C34 | 0.4227 (6) | 0.0062 (7) | 0.3280 (8) | 0.098 (3) | |
H34 | 0.443561 | −0.021910 | 0.385174 | 0.117* | |
C44 | 0.3593 (8) | −0.0302 (9) | 0.2928 (12) | 0.139 (5) | |
H44 | 0.334741 | −0.082728 | 0.326089 | 0.167* | |
C54 | 0.3305 (11) | 0.0102 (10) | 0.2072 (14) | 0.191 (9) | |
H54 | 0.290155 | −0.018167 | 0.181236 | 0.230* | |
C64 | 0.3598 (11) | 0.0901 (10) | 0.1607 (14) | 0.194 (9) | |
H64 | 0.338601 | 0.119274 | 0.103853 | 0.233* | |
C74 | 0.4222 (8) | 0.1268 (8) | 0.2002 (10) | 0.116 (4) | |
N15 | 0.5352 (5) | 0.2612 (5) | 0.5904 (5) | 0.0738 (18) | |
N25 | 0.0154 (5) | 0.3171 (4) | 1.1297 (4) | 0.0636 (15) | |
C15 | 0.5497 (6) | 0.3145 (6) | 0.6487 (6) | 0.081 (2) | |
H15 | 0.606869 | 0.339695 | 0.635095 | 0.097* | |
C25 | 0.4839 (7) | 0.3354 (7) | 0.7301 (7) | 0.102 (3) | |
H25 | 0.497345 | 0.375572 | 0.768450 | 0.122* | |
C35 | 0.4003 (9) | 0.2993 (8) | 0.7563 (7) | 0.117 (2) | |
C45 | 0.3833 (7) | 0.2470 (7) | 0.6937 (7) | 0.099 (3) | |
H45 | 0.325658 | 0.222573 | 0.705694 | 0.118* | |
C55 | 0.4503 (6) | 0.2293 (6) | 0.6120 (6) | 0.081 (2) | |
H55 | 0.435691 | 0.193616 | 0.570298 | 0.097* | |
C65 | 0.0985 (6) | 0.3269 (7) | 1.1586 (6) | 0.084 (2) | |
H65 | 0.107427 | 0.305888 | 1.220409 | 0.101* | |
C75 | 0.1716 (6) | 0.3668 (7) | 1.1009 (8) | 0.101 (3) | |
H75 | 0.227885 | 0.371349 | 1.124832 | 0.121* | |
C85 | 0.1632 (8) | 0.3997 (7) | 1.0092 (8) | 0.108 (2) | |
C95 | 0.0806 (6) | 0.3843 (6) | 0.9810 (6) | 0.077 (2) | |
H95 | 0.072422 | 0.400772 | 0.918608 | 0.092* | |
C105 | 0.0090 (6) | 0.3457 (5) | 1.0403 (5) | 0.0659 (19) | |
H105 | −0.046711 | 0.339131 | 1.016770 | 0.079* | |
C115 | 0.3344 (8) | 0.3133 (6) | 0.8456 (7) | 0.119 (2) | |
H11A | 0.281135 | 0.279603 | 0.849357 | 0.143* | |
H11B | 0.375009 | 0.280774 | 0.894774 | 0.143* | |
C125 | 0.2860 (8) | 0.4175 (6) | 0.8625 (7) | 0.117 (2) | |
H12A | 0.234327 | 0.443215 | 0.821442 | 0.140* | |
H12B | 0.337977 | 0.453345 | 0.840643 | 0.140* | |
C135 | 0.2371 (8) | 0.4496 (7) | 0.9533 (6) | 0.113 (2) | |
H13A | 0.202733 | 0.520722 | 0.944030 | 0.135* | |
H13B | 0.291114 | 0.442577 | 0.989975 | 0.135* | |
S1A | 0.6847 (8) | 0.4079 (6) | 0.8253 (6) | 0.133 (3) | 0.328 (5) |
O1A | 0.6320 (12) | 0.4694 (10) | 0.9058 (11) | 0.186 (9) | 0.328 (5) |
C1A | 0.8110 (12) | 0.4169 (19) | 0.7950 (17) | 0.22 (2) | 0.328 (5) |
H1A | 0.844439 | 0.378155 | 0.744136 | 0.330* | 0.328 (5) |
H1B | 0.810526 | 0.485971 | 0.776836 | 0.330* | 0.328 (5) |
H1C | 0.847147 | 0.391445 | 0.847388 | 0.330* | 0.328 (5) |
C2A | 0.6862 (17) | 0.2819 (7) | 0.8598 (14) | 0.127 (8) | 0.328 (5) |
H2A | 0.719371 | 0.242681 | 0.809211 | 0.191* | 0.328 (5) |
H2B | 0.722893 | 0.257230 | 0.911939 | 0.191* | 0.328 (5) |
H2C | 0.617077 | 0.276749 | 0.877144 | 0.191* | 0.328 (5) |
S1B | 0.7251 (11) | 0.3810 (9) | 0.8874 (12) | 0.133 (3) | 0.172 (5) |
O1B | 0.6320 (12) | 0.4694 (10) | 0.9058 (11) | 0.186 (9) | 0.172 (5) |
C1B | 0.8110 (12) | 0.4169 (19) | 0.7950 (17) | 0.22 (2) | 0.172 (5) |
H1D | 0.869773 | 0.360862 | 0.783539 | 0.330* | 0.172 (5) |
H1E | 0.778031 | 0.438247 | 0.740327 | 0.330* | 0.172 (5) |
H1F | 0.832267 | 0.471290 | 0.810252 | 0.330* | 0.172 (5) |
C2B | 0.6862 (17) | 0.2819 (7) | 0.8598 (14) | 0.127 (8) | 0.172 (5) |
H2D | 0.744977 | 0.225914 | 0.848166 | 0.191* | 0.172 (5) |
H2E | 0.639151 | 0.262109 | 0.910763 | 0.191* | 0.172 (5) |
H2F | 0.653021 | 0.303303 | 0.805264 | 0.191* | 0.172 (5) |
O1W | 0.5624 (10) | 0.4406 (7) | 0.1121 (8) | 0.184 (5) | |
H1WA | 0.523 (13) | 0.505 (4) | 0.088 (12) | 0.275* | |
H1WB | 0.550 (3) | 0.395 (8) | 0.077 (8) | 0.275* | |
Atomic displacement parameters (Å2) top | U11 | U22 | U33 | U12 | U13 | U23 |
Ag1 | 0.0633 (4) | 0.0866 (4) | 0.0619 (4) | −0.0244 (3) | 0.0095 (3) | −0.0088 (3) |
Ag2 | 0.0624 (3) | 0.0821 (4) | 0.0466 (3) | −0.0265 (3) | 0.0027 (2) | −0.0102 (3) |
Ag3 | 0.0698 (4) | 0.0936 (4) | 0.0426 (3) | −0.0252 (3) | −0.0023 (3) | −0.0107 (3) |
Ag4 | 0.0654 (4) | 0.0731 (4) | 0.0835 (4) | −0.0293 (3) | −0.0065 (3) | −0.0152 (3) |
S11 | 0.0542 (10) | 0.0723 (11) | 0.0373 (8) | −0.0190 (8) | −0.0006 (7) | −0.0047 (7) |
S21 | 0.0628 (11) | 0.0771 (11) | 0.0354 (8) | −0.0121 (9) | 0.0025 (7) | −0.0081 (8) |
O11 | 0.070 (3) | 0.098 (4) | 0.042 (3) | −0.038 (3) | −0.003 (2) | 0.003 (2) |
O21 | 0.072 (3) | 0.074 (3) | 0.071 (3) | −0.004 (3) | −0.004 (3) | −0.021 (3) |
N11 | 0.051 (3) | 0.074 (4) | 0.037 (3) | −0.007 (3) | −0.007 (2) | −0.005 (2) |
C11 | 0.049 (4) | 0.069 (4) | 0.039 (3) | −0.016 (3) | −0.006 (3) | 0.006 (3) |
C21 | 0.054 (4) | 0.052 (3) | 0.042 (3) | −0.015 (3) | −0.002 (3) | 0.006 (3) |
C31 | 0.052 (4) | 0.095 (5) | 0.052 (4) | −0.013 (4) | 0.001 (3) | −0.004 (4) |
C41 | 0.053 (5) | 0.128 (7) | 0.063 (5) | −0.024 (5) | −0.009 (4) | 0.009 (5) |
C51 | 0.061 (5) | 0.123 (7) | 0.079 (6) | −0.035 (5) | −0.024 (5) | 0.012 (5) |
C61 | 0.073 (5) | 0.077 (5) | 0.052 (4) | −0.028 (4) | −0.018 (4) | 0.009 (3) |
C71 | 0.050 (4) | 0.060 (4) | 0.043 (3) | −0.020 (3) | −0.009 (3) | 0.007 (3) |
S12 | 0.0549 (10) | 0.0743 (11) | 0.0622 (11) | −0.0306 (9) | −0.0107 (8) | −0.0019 (9) |
S22 | 0.0451 (9) | 0.0628 (10) | 0.0737 (12) | −0.0176 (8) | −0.0049 (8) | −0.0112 (9) |
O12 | 0.079 (4) | 0.109 (4) | 0.090 (4) | −0.059 (3) | −0.010 (3) | 0.012 (3) |
O22 | 0.057 (3) | 0.088 (4) | 0.087 (4) | −0.015 (3) | −0.016 (3) | −0.013 (3) |
N12 | 0.047 (3) | 0.060 (3) | 0.058 (3) | −0.020 (3) | −0.001 (3) | −0.012 (3) |
C12 | 0.062 (4) | 0.060 (4) | 0.047 (4) | −0.027 (3) | −0.009 (3) | 0.002 (3) |
C22 | 0.055 (4) | 0.052 (4) | 0.060 (4) | −0.010 (3) | −0.014 (3) | −0.004 (3) |
C32 | 0.054 (4) | 0.079 (5) | 0.083 (5) | −0.004 (4) | −0.014 (4) | −0.024 (4) |
C42 | 0.095 (7) | 0.094 (6) | 0.104 (7) | −0.003 (6) | −0.017 (6) | −0.042 (6) |
C52 | 0.105 (8) | 0.083 (6) | 0.127 (9) | −0.011 (6) | −0.034 (7) | −0.053 (6) |
C62 | 0.091 (6) | 0.074 (5) | 0.092 (6) | −0.028 (5) | −0.031 (5) | −0.015 (5) |
C72 | 0.064 (5) | 0.058 (4) | 0.063 (4) | −0.018 (3) | −0.022 (4) | −0.003 (3) |
S13 | 0.0841 (14) | 0.0762 (12) | 0.0419 (9) | −0.0343 (11) | −0.0004 (9) | −0.0039 (8) |
S23 | 0.0935 (15) | 0.0871 (13) | 0.0480 (10) | −0.0530 (12) | −0.0116 (10) | −0.0007 (9) |
O13 | 0.088 (4) | 0.102 (4) | 0.093 (4) | −0.051 (3) | 0.019 (3) | −0.018 (3) |
O23 | 0.138 (6) | 0.094 (4) | 0.060 (3) | −0.027 (4) | −0.029 (4) | 0.015 (3) |
N13 | 0.090 (5) | 0.080 (4) | 0.035 (3) | −0.042 (3) | 0.003 (3) | −0.007 (3) |
C13 | 0.072 (5) | 0.091 (5) | 0.034 (3) | −0.045 (4) | −0.009 (3) | −0.006 (3) |
C23 | 0.050 (4) | 0.094 (5) | 0.031 (3) | −0.027 (4) | −0.009 (3) | −0.002 (3) |
C33 | 0.070 (5) | 0.099 (6) | 0.049 (4) | −0.040 (4) | −0.001 (4) | 0.006 (4) |
C43 | 0.076 (5) | 0.120 (7) | 0.032 (4) | −0.027 (5) | 0.007 (3) | −0.005 (4) |
C53 | 0.076 (6) | 0.104 (7) | 0.055 (5) | −0.019 (5) | 0.000 (4) | −0.015 (4) |
C63 | 0.066 (5) | 0.075 (5) | 0.049 (4) | −0.009 (4) | −0.009 (3) | −0.013 (3) |
C73 | 0.056 (4) | 0.072 (4) | 0.042 (4) | −0.019 (3) | −0.010 (3) | 0.000 (3) |
S14 | 0.156 (3) | 0.136 (3) | 0.223 (4) | −0.100 (3) | −0.140 (3) | 0.094 (3) |
S24 | 0.0768 (13) | 0.0880 (13) | 0.0605 (11) | −0.0384 (11) | 0.0086 (10) | −0.0054 (10) |
O14 | 0.323 (17) | 0.298 (15) | 0.148 (9) | −0.224 (14) | −0.170 (11) | 0.113 (10) |
O24 | 0.176 (10) | 0.115 (6) | 0.46 (2) | −0.062 (7) | −0.210 (13) | 0.117 (9) |
N14 | 0.080 (5) | 0.084 (4) | 0.128 (6) | −0.045 (4) | −0.052 (5) | 0.035 (4) |
C14 | 0.049 (4) | 0.053 (4) | 0.103 (6) | −0.015 (3) | 0.004 (4) | −0.011 (4) |
C24 | 0.049 (4) | 0.063 (5) | 0.139 (8) | −0.020 (4) | −0.011 (5) | −0.004 (5) |
C34 | 0.054 (5) | 0.082 (6) | 0.162 (10) | −0.037 (4) | −0.003 (5) | −0.003 (6) |
C44 | 0.082 (7) | 0.101 (8) | 0.245 (17) | −0.049 (6) | −0.049 (9) | 0.024 (9) |
C54 | 0.162 (13) | 0.130 (10) | 0.34 (2) | −0.101 (10) | −0.171 (16) | 0.085 (13) |
C64 | 0.173 (13) | 0.129 (10) | 0.34 (2) | −0.090 (10) | −0.191 (15) | 0.083 (12) |
C74 | 0.087 (7) | 0.102 (7) | 0.180 (11) | −0.051 (6) | −0.069 (8) | 0.033 (7) |
N15 | 0.054 (4) | 0.089 (4) | 0.072 (4) | −0.022 (3) | 0.015 (3) | −0.012 (4) |
N25 | 0.058 (4) | 0.079 (4) | 0.053 (3) | −0.024 (3) | 0.006 (3) | −0.010 (3) |
C15 | 0.059 (5) | 0.083 (5) | 0.093 (6) | −0.017 (4) | 0.014 (4) | −0.020 (5) |
C25 | 0.095 (7) | 0.094 (6) | 0.112 (8) | −0.035 (5) | 0.040 (6) | −0.048 (6) |
C35 | 0.114 (4) | 0.100 (4) | 0.124 (4) | −0.051 (3) | 0.066 (4) | −0.033 (3) |
C45 | 0.076 (6) | 0.093 (6) | 0.113 (8) | −0.033 (5) | 0.036 (5) | −0.009 (6) |
C55 | 0.069 (5) | 0.093 (6) | 0.072 (5) | −0.019 (5) | 0.005 (4) | −0.006 (4) |
C65 | 0.063 (5) | 0.125 (7) | 0.068 (5) | −0.030 (5) | −0.006 (4) | −0.018 (5) |
C75 | 0.037 (4) | 0.118 (7) | 0.148 (10) | −0.031 (5) | 0.022 (5) | −0.037 (7) |
C85 | 0.103 (4) | 0.096 (4) | 0.120 (4) | −0.053 (3) | 0.062 (4) | −0.039 (3) |
C95 | 0.074 (5) | 0.077 (5) | 0.067 (5) | −0.023 (4) | 0.025 (4) | −0.007 (4) |
C105 | 0.057 (4) | 0.071 (4) | 0.068 (5) | −0.020 (4) | 0.005 (4) | −0.011 (4) |
C115 | 0.116 (4) | 0.103 (3) | 0.126 (4) | −0.051 (3) | 0.066 (3) | −0.032 (3) |
C125 | 0.113 (4) | 0.102 (3) | 0.125 (4) | −0.052 (3) | 0.064 (3) | −0.033 (3) |
C135 | 0.107 (4) | 0.100 (3) | 0.123 (4) | −0.053 (3) | 0.062 (3) | −0.036 (3) |
S1A | 0.193 (10) | 0.098 (5) | 0.105 (7) | −0.011 (6) | −0.056 (6) | −0.015 (5) |
O1A | 0.19 (2) | 0.145 (15) | 0.19 (2) | 0.001 (14) | 0.008 (16) | −0.073 (14) |
C1A | 0.20 (3) | 0.22 (3) | 0.30 (4) | −0.13 (3) | 0.07 (3) | −0.21 (3) |
C2A | 0.14 (2) | 0.123 (17) | 0.103 (16) | 0.016 (15) | −0.065 (15) | −0.003 (13) |
S1B | 0.193 (10) | 0.098 (5) | 0.105 (7) | −0.011 (6) | −0.056 (6) | −0.015 (5) |
O1B | 0.19 (2) | 0.145 (15) | 0.19 (2) | 0.001 (14) | 0.008 (16) | −0.073 (14) |
C1B | 0.20 (3) | 0.22 (3) | 0.30 (4) | −0.13 (3) | 0.07 (3) | −0.21 (3) |
C2B | 0.14 (2) | 0.123 (17) | 0.103 (16) | 0.016 (15) | −0.065 (15) | −0.003 (13) |
O1W | 0.231 (12) | 0.141 (7) | 0.220 (11) | −0.094 (8) | −0.116 (9) | 0.041 (7) |
Geometric parameters (Å, º) top
Ag1—N15 | 2.307 (6) | C63—H63 | 0.9300 |
Ag1—N11 | 2.422 (5) | S14—O14 | 1.411 (15) |
Ag1—S22 | 2.607 (2) | S14—O24 | 1.429 (12) |
Ag1—S24 | 2.647 (2) | S14—N14 | 1.653 (8) |
Ag1—Ag3 | 2.8307 (8) | S14—C74 | 1.776 (10) |
Ag2—N12 | 2.320 (5) | S24—C14 | 1.668 (9) |
Ag2—N25i | 2.335 (6) | N14—C14 | 1.333 (10) |
Ag2—S23 | 2.606 (2) | C14—C24 | 1.502 (11) |
Ag2—S21 | 2.615 (2) | C24—C74 | 1.331 (14) |
Ag2—Ag4 | 2.9180 (8) | C24—C34 | 1.359 (11) |
Ag2—Ag3 | 3.3489 (8) | C34—C44 | 1.340 (14) |
Ag3—N13 | 2.317 (5) | C34—H34 | 0.9300 |
Ag3—S21 | 2.416 (2) | C44—C54 | 1.376 (19) |
Ag3—S24 | 2.472 (2) | C44—H44 | 0.9300 |
Ag3—Ag4 | 3.0692 (9) | C54—C64 | 1.343 (17) |
Ag4—N14 | 2.354 (6) | C54—H54 | 0.9300 |
Ag4—S22 | 2.461 (2) | C64—C74 | 1.367 (15) |
Ag4—S23 | 2.510 (2) | C64—H64 | 0.9300 |
Ag4—O1W | 2.612 (9) | N15—C15 | 1.296 (10) |
S11—O11 | 1.418 (5) | N15—C55 | 1.337 (10) |
S11—O21 | 1.421 (5) | N25—C105 | 1.325 (9) |
S11—N11 | 1.665 (6) | N25—C65 | 1.340 (10) |
S11—C71 | 1.751 (7) | C15—C25 | 1.379 (11) |
S21—C11 | 1.714 (7) | C15—H15 | 0.9300 |
N11—C11 | 1.319 (8) | C25—C35 | 1.358 (13) |
C11—C21 | 1.470 (9) | C25—H25 | 0.9300 |
C21—C71 | 1.379 (9) | C35—C45 | 1.351 (14) |
C21—C31 | 1.393 (9) | C35—C115 | 1.460 (6) |
C31—C41 | 1.355 (11) | C45—C55 | 1.384 (11) |
C31—H31 | 0.9300 | C45—H45 | 0.9300 |
C41—C51 | 1.364 (12) | C55—H55 | 0.9300 |
C41—H41 | 0.9300 | C65—C75 | 1.384 (12) |
C51—C61 | 1.373 (11) | C65—H65 | 0.9300 |
C51—H51 | 0.9300 | C75—C85 | 1.370 (15) |
C61—C71 | 1.365 (9) | C75—H75 | 0.9300 |
C61—H61 | 0.9300 | C85—C95 | 1.362 (14) |
S12—O12 | 1.420 (6) | C85—C135 | 1.460 (6) |
S12—O22 | 1.434 (5) | C95—C105 | 1.369 (10) |
S12—N12 | 1.670 (6) | C95—H95 | 0.9300 |
S12—C72 | 1.759 (8) | C105—H105 | 0.9300 |
S22—C12 | 1.709 (7) | C115—C125 | 1.455 (6) |
N12—C12 | 1.302 (8) | C115—H11A | 0.9700 |
C12—C22 | 1.496 (9) | C115—H11B | 0.9700 |
C22—C72 | 1.363 (10) | C125—C135 | 1.457 (6) |
C22—C32 | 1.387 (10) | C125—H12A | 0.9700 |
C32—C42 | 1.399 (12) | C125—H12B | 0.9700 |
C32—H32 | 0.9300 | C135—H13A | 0.9700 |
C42—C52 | 1.370 (13) | C135—H13B | 0.9700 |
C42—H42 | 0.9300 | S1A—O1A | 1.520 (3) |
C52—C62 | 1.374 (13) | S1A—C1A | 1.751 (3) |
C52—H52 | 0.9300 | S1A—C2A | 1.752 (3) |
C62—C72 | 1.376 (10) | C1A—H1A | 0.9600 |
C62—H62 | 0.9300 | C1A—H1B | 0.9600 |
S13—O23 | 1.415 (6) | C1A—H1C | 0.9600 |
S13—O13 | 1.421 (6) | C2A—H2A | 0.9600 |
S13—N13 | 1.664 (6) | C2A—H2B | 0.9600 |
S13—C73 | 1.756 (7) | C2A—H2C | 0.9600 |
S23—C13 | 1.693 (8) | S1B—O1B | 1.517 (3) |
N13—C13 | 1.300 (8) | S1B—C1B | 1.746 (3) |
C13—C23 | 1.485 (9) | S1B—C2B | 1.749 (3) |
C23—C73 | 1.379 (10) | C1B—H1D | 0.9600 |
C23—C33 | 1.403 (9) | C1B—H1E | 0.9600 |
C33—C43 | 1.409 (11) | C1B—H1F | 0.9600 |
C33—H33 | 0.9300 | C2B—H2D | 0.9600 |
C43—C53 | 1.330 (11) | C2B—H2E | 0.9600 |
C43—H43 | 0.9300 | C2B—H2F | 0.9600 |
C53—C63 | 1.384 (10) | O1W—H1WA | 0.956 (10) |
C53—H53 | 0.9300 | O1W—H1WB | 0.953 (10) |
C63—C73 | 1.362 (9) | | |
| | | |
N15—Ag1—N11 | 111.9 (2) | C73—C23—C13 | 112.0 (6) |
N15—Ag1—S22 | 100.45 (17) | C33—C23—C13 | 128.7 (7) |
N11—Ag1—S22 | 105.35 (14) | C23—C33—C43 | 116.0 (7) |
N15—Ag1—S24 | 99.32 (19) | C23—C33—H33 | 122.0 |
N11—Ag1—S24 | 121.61 (14) | C43—C33—H33 | 122.0 |
S22—Ag1—S24 | 116.15 (7) | C53—C43—C33 | 122.9 (7) |
N15—Ag1—Ag3 | 150.49 (18) | C53—C43—H43 | 118.6 |
N11—Ag1—Ag3 | 79.72 (13) | C33—C43—H43 | 118.6 |
S22—Ag1—Ag3 | 102.32 (5) | C43—C53—C63 | 121.4 (8) |
S24—Ag1—Ag3 | 53.52 (5) | C43—C53—H53 | 119.3 |
N12—Ag2—N25i | 102.99 (19) | C63—C53—H53 | 119.3 |
N12—Ag2—S23 | 127.40 (15) | C73—C63—C53 | 116.9 (8) |
N25i—Ag2—S23 | 92.24 (16) | C73—C63—H63 | 121.6 |
N12—Ag2—S21 | 108.22 (14) | C53—C63—H63 | 121.6 |
N25i—Ag2—S21 | 116.38 (16) | C63—C73—C23 | 123.5 (6) |
S23—Ag2—S21 | 109.02 (6) | C63—C73—S13 | 129.4 (6) |
N12—Ag2—Ag4 | 82.64 (13) | C23—C73—S13 | 107.1 (5) |
N25i—Ag2—Ag4 | 135.26 (16) | O14—S14—O24 | 117.3 (8) |
S23—Ag2—Ag4 | 53.68 (5) | O14—S14—N14 | 110.7 (6) |
S21—Ag2—Ag4 | 103.06 (5) | O24—S14—N14 | 108.5 (7) |
N12—Ag2—Ag3 | 107.90 (13) | O14—S14—C74 | 113.0 (8) |
N25i—Ag2—Ag3 | 148.13 (15) | O24—S14—C74 | 110.7 (7) |
S23—Ag2—Ag3 | 75.23 (4) | N14—S14—C74 | 94.2 (5) |
S21—Ag2—Ag3 | 45.78 (5) | C14—S24—Ag3 | 96.3 (3) |
Ag4—Ag2—Ag3 | 58.163 (19) | C14—S24—Ag1 | 114.3 (3) |
N13—Ag3—S21 | 106.92 (16) | Ag3—S24—Ag1 | 67.04 (6) |
N13—Ag3—S24 | 105.52 (17) | C14—N14—S14 | 112.5 (6) |
S21—Ag3—S24 | 147.31 (7) | C14—N14—Ag4 | 129.5 (6) |
N13—Ag3—Ag1 | 143.77 (16) | S14—N14—Ag4 | 117.5 (4) |
S21—Ag3—Ag1 | 95.14 (5) | N14—C14—C24 | 112.3 (8) |
S24—Ag3—Ag1 | 59.44 (5) | N14—C14—S24 | 126.2 (6) |
N13—Ag3—Ag4 | 76.88 (15) | C24—C14—S24 | 121.4 (6) |
S21—Ag3—Ag4 | 103.82 (5) | C74—C24—C34 | 119.4 (9) |
S24—Ag3—Ag4 | 87.29 (6) | C74—C24—C14 | 112.3 (8) |
Ag1—Ag3—Ag4 | 70.03 (2) | C34—C24—C14 | 128.2 (10) |
N13—Ag3—Ag2 | 85.74 (14) | C44—C34—C24 | 119.7 (12) |
S21—Ag3—Ag2 | 50.87 (5) | C44—C34—H34 | 120.1 |
S24—Ag3—Ag2 | 136.51 (6) | C24—C34—H34 | 120.1 |
Ag1—Ag3—Ag2 | 86.51 (2) | C34—C44—C54 | 119.8 (11) |
Ag4—Ag3—Ag2 | 53.872 (18) | C34—C44—H44 | 120.1 |
N14—Ag4—S22 | 110.2 (2) | C54—C44—H44 | 120.1 |
N14—Ag4—S23 | 105.5 (2) | C64—C54—C44 | 121.0 (12) |
S22—Ag4—S23 | 143.14 (7) | C64—C54—H54 | 119.5 |
N14—Ag4—O1W | 90.5 (3) | C44—C54—H54 | 119.5 |
S22—Ag4—O1W | 100.3 (3) | C54—C64—C74 | 117.2 (13) |
S23—Ag4—O1W | 88.2 (3) | C54—C64—H64 | 121.4 |
N14—Ag4—Ag2 | 138.93 (18) | C74—C64—H64 | 121.4 |
S22—Ag4—Ag2 | 89.29 (5) | C24—C74—C64 | 122.5 (10) |
S23—Ag4—Ag2 | 56.79 (5) | C24—C74—S14 | 108.7 (7) |
O1W—Ag4—Ag2 | 122.1 (3) | C64—C74—S14 | 128.6 (10) |
N14—Ag4—Ag3 | 73.22 (16) | C15—N15—C55 | 116.2 (7) |
S22—Ag4—Ag3 | 99.45 (5) | C15—N15—Ag1 | 119.2 (5) |
S23—Ag4—Ag3 | 81.93 (5) | C55—N15—Ag1 | 124.6 (6) |
O1W—Ag4—Ag3 | 157.8 (2) | C105—N25—C65 | 115.3 (7) |
Ag2—Ag4—Ag3 | 67.97 (2) | C105—N25—Ag2ii | 121.8 (5) |
O11—S11—O21 | 117.6 (3) | C65—N25—Ag2ii | 122.4 (5) |
O11—S11—N11 | 109.3 (3) | N15—C15—C25 | 122.7 (8) |
O21—S11—N11 | 108.5 (3) | N15—C15—H15 | 118.7 |
O11—S11—C71 | 111.1 (3) | C25—C15—H15 | 118.7 |
O21—S11—C71 | 112.3 (3) | C35—C25—C15 | 122.4 (9) |
N11—S11—C71 | 95.7 (3) | C35—C25—H25 | 118.8 |
C11—S21—Ag3 | 106.1 (2) | C15—C25—H25 | 118.8 |
C11—S21—Ag2 | 100.6 (2) | C45—C35—C25 | 114.7 (8) |
Ag3—S21—Ag2 | 83.35 (6) | C45—C35—C115 | 121.9 (10) |
C11—N11—S11 | 110.0 (5) | C25—C35—C115 | 123.4 (10) |
C11—N11—Ag1 | 130.0 (4) | C35—C45—C55 | 121.0 (9) |
S11—N11—Ag1 | 119.7 (3) | C35—C45—H45 | 119.5 |
N11—C11—C21 | 115.8 (6) | C55—C45—H45 | 119.5 |
N11—C11—S21 | 124.7 (5) | N15—C55—C45 | 123.0 (9) |
C21—C11—S21 | 119.5 (5) | N15—C55—H55 | 118.5 |
C71—C21—C31 | 119.6 (7) | C45—C55—H55 | 118.5 |
C71—C21—C11 | 110.7 (6) | N25—C65—C75 | 123.0 (9) |
C31—C21—C11 | 129.7 (6) | N25—C65—H65 | 118.5 |
C41—C31—C21 | 117.9 (7) | C75—C65—H65 | 118.5 |
C41—C31—H31 | 121.0 | C85—C75—C65 | 121.7 (9) |
C21—C31—H31 | 121.0 | C85—C75—H75 | 119.2 |
C31—C41—C51 | 122.0 (8) | C65—C75—H75 | 119.2 |
C31—C41—H41 | 119.0 | C75—C85—C95 | 113.8 (7) |
C51—C41—H41 | 119.0 | C75—C85—C135 | 119.6 (12) |
C41—C51—C61 | 120.8 (8) | C95—C85—C135 | 126.6 (12) |
C41—C51—H51 | 119.6 | C105—C95—C85 | 122.9 (9) |
C61—C51—H51 | 119.6 | C105—C95—H95 | 118.6 |
C71—C61—C51 | 117.9 (8) | C85—C95—H95 | 118.6 |
C71—C61—H61 | 121.1 | N25—C105—C95 | 123.1 (8) |
C51—C61—H61 | 121.1 | N25—C105—H105 | 118.4 |
C61—C71—C21 | 121.7 (6) | C95—C105—H105 | 118.4 |
C61—C71—S11 | 130.4 (6) | C125—C115—C35 | 115.0 (8) |
C21—C71—S11 | 107.9 (5) | C125—C115—H11A | 108.5 |
O12—S12—O22 | 117.9 (4) | C35—C115—H11A | 108.5 |
O12—S12—N12 | 109.1 (3) | C125—C115—H11B | 108.5 |
O22—S12—N12 | 108.9 (3) | C35—C115—H11B | 108.5 |
O12—S12—C72 | 111.5 (4) | H11A—C115—H11B | 107.5 |
O22—S12—C72 | 111.7 (3) | C115—C125—C135 | 124.1 (9) |
N12—S12—C72 | 95.3 (3) | C115—C125—H12A | 106.3 |
C12—S22—Ag4 | 108.8 (2) | C135—C125—H12A | 106.3 |
C12—S22—Ag1 | 100.2 (2) | C115—C125—H12B | 106.3 |
Ag4—S22—Ag1 | 83.95 (6) | C135—C125—H12B | 106.3 |
C12—N12—S12 | 110.8 (5) | H12A—C125—H12B | 106.4 |
C12—N12—Ag2 | 129.0 (4) | C125—C135—C85 | 119.3 (8) |
S12—N12—Ag2 | 118.8 (3) | C125—C135—H13A | 107.5 |
N12—C12—C22 | 115.1 (6) | C85—C135—H13A | 107.5 |
N12—C12—S22 | 125.0 (5) | C125—C135—H13B | 107.5 |
C22—C12—S22 | 119.9 (5) | C85—C135—H13B | 107.5 |
C72—C22—C32 | 120.3 (7) | H13A—C135—H13B | 107.0 |
C72—C22—C12 | 110.8 (6) | O1A—S1A—C1A | 109.3 (6) |
C32—C22—C12 | 128.9 (7) | O1A—S1A—C2A | 109.1 (6) |
C22—C32—C42 | 117.3 (8) | C1A—S1A—C2A | 109.2 (12) |
C22—C32—H32 | 121.3 | S1A—C1A—H1A | 109.5 |
C42—C32—H32 | 121.3 | S1A—C1A—H1B | 109.5 |
C52—C42—C32 | 120.9 (9) | H1A—C1A—H1B | 109.5 |
C52—C42—H42 | 119.6 | S1A—C1A—H1C | 109.5 |
C32—C42—H42 | 119.6 | H1A—C1A—H1C | 109.5 |
C42—C52—C62 | 121.6 (8) | H1B—C1A—H1C | 109.5 |
C42—C52—H52 | 119.2 | S1A—C2A—H2A | 109.5 |
C62—C52—H52 | 119.2 | S1A—C2A—H2B | 109.5 |
C72—C62—C52 | 117.0 (8) | H2A—C2A—H2B | 109.5 |
C72—C62—H62 | 121.5 | S1A—C2A—H2C | 109.5 |
C52—C62—H62 | 121.5 | H2A—C2A—H2C | 109.5 |
C22—C72—C62 | 122.9 (7) | H2B—C2A—H2C | 109.5 |
C22—C72—S12 | 108.1 (5) | O1B—S1B—C1B | 109.6 (6) |
C62—C72—S12 | 129.1 (6) | O1B—S1B—C2B | 109.3 (7) |
O23—S13—O13 | 117.0 (4) | C1B—S1B—C2B | 109.6 (12) |
O23—S13—N13 | 110.4 (4) | S1B—C1B—H1D | 109.5 |
O13—S13—N13 | 109.4 (4) | S1B—C1B—H1E | 109.5 |
O23—S13—C73 | 110.9 (4) | H1D—C1B—H1E | 109.5 |
O13—S13—C73 | 111.9 (4) | S1B—C1B—H1F | 109.5 |
N13—S13—C73 | 95.0 (3) | H1D—C1B—H1F | 109.5 |
C13—S23—Ag4 | 104.2 (2) | H1E—C1B—H1F | 109.5 |
C13—S23—Ag2 | 110.9 (2) | S1B—C2B—H2D | 109.5 |
Ag4—S23—Ag2 | 69.53 (5) | S1B—C2B—H2E | 109.5 |
C13—N13—S13 | 112.2 (5) | H2D—C2B—H2E | 109.5 |
C13—N13—Ag3 | 123.1 (5) | S1B—C2B—H2F | 109.5 |
S13—N13—Ag3 | 120.6 (3) | H2D—C2B—H2F | 109.5 |
N13—C13—C23 | 113.6 (6) | H2E—C2B—H2F | 109.5 |
N13—C13—S23 | 125.5 (5) | Ag4—O1W—H1WA | 158 (9) |
C23—C13—S23 | 120.9 (5) | Ag4—O1W—H1WB | 97 (9) |
C73—C23—C33 | 119.2 (7) | H1WA—O1W—H1WB | 103.4 (15) |
Symmetry codes: (i) x+1, y, z−1; (ii) x−1, y, z+1. |
Hydrogen-bond geometry (Å, º) top
D—H···A | D—H | H···A | D···A | D—H···A |
O1W—H1WB···O14 | 0.95 (10) | 2.59 (11) | 3.425 (18) | 147 (9) |
O1W—H1WB···O24 | 0.95 (10) | 2.59 (8) | 3.072 (18) | 112 (8) |
O1W—H1WA···O1Aiii | 0.96 (9) | 2.05 (18) | 2.65 (2) | 119 (12) |
C125—H12B···O1Wiii | 0.97 | 2.53 | 3.369 (17) | 144 |
C44—H44···O11iv | 0.93 | 2.52 | 3.260 (13) | 137 |
C53—H53···S21v | 0.93 | 2.86 | 3.572 (9) | 134 |
C75—H75···O24vi | 0.93 | 2.41 | 3.284 (16) | 158 |
C105—H105···S23ii | 0.93 | 2.82 | 3.508 (9) | 132 |
Symmetry codes: (ii) x−1, y, z+1; (iii) −x+1, −y+1, −z+1; (iv) −x+1, −y, −z+1; (v) −x+2, −y, −z; (vi) x, y, z+1. |
Selected bond lengths in (I) (Å) topAg1—N15 | 2.307 (6) | Ag3—N13 | 2.317 (5) |
Ag1—N11 | 2.422 (5) | Ag3—S21 | 2.416 (2) |
Ag1—S22 | 2.607 (2) | Ag3—S24 | 2.472 (2) |
Ag1—S24 | 2.647 (2) | Ag4—N14 | 2.354 (6) |
Ag2—N12 | 2.320 (5) | Ag4—S22 | 2.461 (2) |
Ag2—N25i | 2.335 (6) | Ag4—S23 | 2.510 (2) |
Ag2—S23 | 2.606 (2) | Ag4···O1W | 2.612 (9) |
Ag2—S21 | 2.615 (2) | | |
| | | |
Ag1···Ag3 | 2.8307 (8) | Ag3···Ag4 | 3.0692 (9) |
Ag2···Ag4 | 2.9180 (8) | Ag2···Ag3 | 3.3489 (8) |
Symmetry code: (i) x+1, y, z-1. |
S═O···π bonds in (I) topS═O···Cg | O···Cg (Å) | O/perp (Å) | O···Cg/perp (°) | S═O/perp (°) |
S13═O13···Cg4 | 3.533 (8) | 3.428 | 30.30 | 111.5 (3) |
S14═O14···Cg3 | 3.718 (9) | 3.440 | 13.41 | 115.5 (7) |
S11═O21···Cg2 | 3.343 (6) | 3.124 | 46.34 | 116.9 (3) |
S12═O22···Cg1 | 3.388 (6) | 3.244 | 41.68 | 116.6 (3) |
O/perp is the perpendicular distances of O to the
plane, O···Cg/perp is the angle between the O···Cg vector and the plane normal,
and S═O/perpa is the angle between the S═O vector and the plane normal.
Cg1 is the centroid of the S11/N11/C11/C21/C71 ring, Cg2 that of
the
S12/N12/C12/C22/C72 ring, Cg3 that of the S13/N13/C13/C23/C73 and
Cg4
that of the S14/N14/C14/C24/C74 ring. |
Comparative table showing the relative strengths of argentophilic
interactions in (I), as compared with selected covalent and
noncovalent ones topInteraction | #CP | Contact | Distance | ρ(r)(r) (× 100) | \nabla2ρ(r) (\rimes 10) |
Ag···Ag | CP1 | Ag1···Ag3 | 2.8307 (8) | 3.23 | 0.80 |
| CP3 | Ag3···Ag4 | 3.0692 (9) | 1.99 | 0.51 |
| CP2 | Ag4···Ag2 | 2.9180 (8) | 2.75 | 0.69 |
| CP4 | Ag4···O1W | 2.612 (9) | 2.66 | 0.85 |
| | | | | |
O···π | | O13···Cg4 | 3.533 (8) | 0.37 | 0.14 |
| | O14···Cg3 | 3.718 (9) | 0.36 | 0.15 |
| | O21···Cg2 | 3.343 (6) | 0.68 | 0.25 |
| | O22···Cg1 | 3.388 (6) | 0.53 | 0.19 |
| | | | | |
S—Ag | | S21-Ag3 | 2.416 (2) | 7.21 | 1.90 |
| | S21—Ag2 | 2.615 (2) | 4.77 | 1.23 |
| | S22—Ag1 | 2.607 (2) | 4.85 | 1.25 |
| | S22—Ag4 | 2.461 (2) | 6.59 | 1.74 |
| | S23—Ag2 | 2.606 (2) | 4.90 | 1.25 |
| | S23—Ag4 | 2.510 (2) | 6.03 | 1.50 |
| | S24—Ag1 | 2.647 (2) | 4.63 | 1.17 |
| | S24—Ag3 | 2.472 (2) | 6.43 | 1.59 |
Cg1 is the centroid of the S11/N11/C11/C21/C71 ring,
Cg2 that of the S12/N12/C12/C22/C72 ring, Cg3 that of the
S13/N13/C13/C23/C73. [Added, OK?] |
Electric conductivity and argentophilic interactions in (I),
(II) and (III) topCompound | EC (S cm-1) | Ag···Ag (Å) | Bridging mode |
(I) | 2.5 10-8 | 2.830 | N—Ag |
(II) | 2.9 10-7 | 2.886 | N—Ag |
(III) | 9.5 10-3 | 3.024 | S—Ag |
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