New insights into the structural properties of κ-(BEDT-TTF)₂Ag₂(CN)₃ spin liquid

Here, the first accurate study is presented of the room-temperature and 100 K structures of one of the first organic spin liquids, κ-(BEDT-TTF)₂Ag₂(CN)₃. It is shown that the monoclinic structure determined previously is only the average one. It is shown that the exact structure presents triclinic symmetry with two non-equivalent dimers in the unit cell. But surprisingly this does not lead to a sizeable charge disproportionation between dimers. The difference from the analogue compound κ-(BEDT-TTF)₂Cu₂(CN)₃ which also presents a spin liquid phase is discussed in detail. The data provided here show the importance of the anionic layer and in particular the transition metal position in the process of symmetry breaking. The possible impact of the symmetry breaking, albeit weak, on the spin-liquid mechanism and the influence of various disorders on the physical properties of this system is also discussed.

Computing details

For both structures, data collection: CrysAlis PRO 1.171.38.46 (Rigaku OD, 2015); cell refinement: CrysAlis PRO 1.171.38.46 (Rigaku OD, 2015); data reduction: CrysAlis PRO 1.171.38.46 (Rigaku OD, 2015).

(100K)

Crystal data

C3Ag2N3·2(C10H8S8)	V = 1715.40 (6) Å^3
Mr = 1063.17	Z = 2
Triclinic, P1	F(000) = 1050
Hall symbol: -P 1	Dx = 2.058 Mg m^−3
a = 15.0062 (3) Å	Synchrotron radiation, λ = 0.6717 Å
b = 8.5820 (1) Å	Cell parameters from 29184 reflections
c = 13.3243 (3) Å	θ = 2.6–32.3°
α = 89.984 (2)°	µ = 1.79 mm^−1
β = 91.447 (2)°	T = 100 K
γ = 90.002 (1)°	Plate

Data collection

Xcalibur, Atlas diffractometer	69664 independent reflections
Radiation source: synchrotron	57334 reflections with I > 3σ(I)
Synchrotron monochromator	Rint = 0.041
Detector resolution: 10.2930 pixels mm^-1	θmax = 32.4°, θmin = 1.4°
ω and φ scans	h = −23→23
Absorption correction: multi-scan CrysAlisPro 1.171.38.46 (Rigaku Oxford Diffraction, 2015) Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm.	k = −12→13
Tmin = 0.933, Tmax = 1	l = −20→20
69664 measured reflections

Refinement

Refinement on F	16 constraints
R[F^2 > 2σ(F^2)] = 0.045	H-atom parameters constrained
wR(F^2) = 0.075	Weighting scheme based on measured s.u.'s w = 1/(σ^2(F) + 0.0001F^2)
S = 2.54	(Δ/σ)max = 0.019
69664 reflections	Δρmax = 1.18 e Å^−3
397 parameters	Δρmin = −1.00 e Å^−3
2 restraints

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq	Occ. (<1)
Ag1	0.993551 (5)	0.259795 (9)	0.124440 (6)	0.03747 (3)
Ag2	0.006498 (5)	0.759854 (9)	0.375487 (6)	0.03747 (3)
S1	0.541346 (14)	0.02129 (3)	0.245779 (13)	0.02309 (5)
S2	0.375102 (13)	0.76190 (2)	0.377224 (14)	0.02146 (5)
S3	0.624892 (13)	0.26180 (2)	0.122736 (13)	0.02144 (5)
S4	0.462537 (13)	0.26196 (3)	−0.031747 (14)	0.02274 (5)
S5	0.458600 (14)	0.52119 (3)	0.254261 (14)	0.02333 (5)
S6	0.537499 (13)	0.76210 (3)	0.531783 (14)	0.02277 (5)
S7	0.367178 (14)	0.03061 (3)	0.088194 (15)	0.02664 (6)
S8	0.632704 (14)	0.53058 (3)	0.411819 (15)	0.02680 (6)
S9	0.788701 (13)	0.29184 (3)	0.246269 (14)	0.02435 (6)
S10	0.211349 (13)	0.79184 (3)	0.253675 (15)	0.02438 (6)
S11	0.689325 (17)	0.00036 (3)	0.394945 (17)	0.03341 (7)
S12	0.310710 (17)	0.50030 (3)	0.105015 (17)	0.03346 (7)
S13	0.685986 (18)	0.83088 (3)	0.67057 (2)	0.03770 (8)
S14	0.314075 (18)	0.33067 (3)	−0.17056 (2)	0.03746 (8)
S15	0.197201 (17)	0.05629 (4)	−0.02851 (3)	0.04526 (9)
S16	0.802774 (17)	0.55618 (4)	0.52817 (3)	0.04500 (9)
N1	1.01943 (7)	−0.06300 (15)	0.22381 (8)	0.0495 (4)
C2	1.01112 (7)	0.03775 (15)	0.18797 (8)	0.0370 (3)
C3	−0.01017 (7)	0.53882 (16)	0.31278 (8)	0.0383 (3)
N4	−0.01857 (7)	0.43768 (15)	0.27615 (8)	0.0489 (3)
C5	0.99673 (7)	0.44534 (12)	0.02480 (7)	0.0395 (3)	0.5
N5	0.99673 (7)	0.44534 (12)	0.02480 (7)	0.0395 (3)	0.5
C6	0.00318 (7)	0.94562 (12)	0.47516 (7)	0.0398 (3)	0.5
N6	0.00318 (7)	0.94562 (12)	0.47516 (7)	0.0398 (3)	0.5
C7	0.53685 (5)	0.64123 (10)	0.42677 (5)	0.0213 (2)
C8	0.46324 (5)	0.14130 (10)	0.07325 (5)	0.0217 (2)
C9	0.35216 (6)	0.22218 (10)	−0.06762 (6)	0.0244 (2)
C10	0.68609 (5)	0.19792 (9)	0.22844 (5)	0.0209 (2)
C11	0.46586 (5)	0.63928 (9)	0.36033 (5)	0.02018 (19)
C12	0.31387 (5)	0.69827 (9)	0.27154 (5)	0.02067 (19)
C13	0.64772 (6)	0.72215 (10)	0.56726 (6)	0.0246 (2)
C14	0.64713 (6)	0.08701 (10)	0.28487 (6)	0.0241 (2)
C15	0.53421 (5)	0.13910 (9)	0.13932 (5)	0.02044 (19)
C16	0.35297 (6)	0.58630 (10)	0.21524 (6)	0.0235 (2)
C17	0.30825 (6)	0.11525 (11)	−0.01269 (6)	0.0281 (2)
C18	0.69164 (6)	0.61620 (11)	0.51280 (6)	0.0278 (2)
C19	0.16067 (6)	0.67483 (11)	0.15470 (6)	0.0267 (2)
C20	0.77597 (6)	0.13794 (11)	0.42900 (6)	0.0266 (2)
C21	0.83927 (6)	0.17423 (11)	0.34530 (6)	0.0264 (2)
C22	0.20294 (8)	0.25524 (14)	−0.19138 (10)	0.0495 (4)
C23	0.22429 (6)	0.63805 (11)	0.07104 (6)	0.0265 (2)
C24	0.15399 (7)	0.22372 (14)	−0.09485 (10)	0.0496 (4)
C25	0.84628 (7)	0.72421 (14)	0.59486 (10)	0.0483 (4)
C26	0.79656 (9)	0.75573 (14)	0.69167 (10)	0.0510 (4)
H1c19	0.138798	0.579417	0.182522	0.032*
H2c19	0.109245	0.727835	0.127272	0.032*
H1c20	0.749455	0.23282	0.452002	0.032*
H2c20	0.809217	0.099724	0.486382	0.032*
H1c21	0.860877	0.078678	0.317442	0.0316*
H2c21	0.890935	0.226714	0.372547	0.0316*
H1c22	0.168957	0.326885	−0.232329	0.0594*
H2c22	0.205628	0.161157	−0.230144	0.0594*
H1c23	0.250901	0.732814	0.047939	0.0318*
H2c23	0.191119	0.600185	0.013527	0.0318*
H1c24	0.091714	0.208684	−0.110086	0.0596*
H2c24	0.158129	0.313614	−0.052122	0.0596*
H1c25	0.908448	0.708744	0.610493	0.0579*
H2c25	0.842285	0.814135	0.552116	0.0579*
H1c26	0.830395	0.827187	0.732892	0.0612*
H2c26	0.793751	0.661611	0.730415	0.0612*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Ag1	0.03226 (5)	0.03636 (6)	0.04348 (5)	−0.00190 (4)	−0.00506 (3)	0.00226 (4)
Ag2	0.03222 (5)	0.03643 (6)	0.04344 (5)	0.00124 (4)	−0.00512 (3)	−0.00289 (4)
S1	0.02062 (9)	0.02719 (11)	0.02160 (8)	−0.00686 (8)	0.00315 (6)	0.00193 (7)
S2	0.01732 (9)	0.02526 (10)	0.02177 (8)	0.00431 (7)	−0.00026 (6)	−0.00427 (7)
S3	0.01719 (9)	0.02548 (10)	0.02163 (8)	−0.00511 (8)	−0.00011 (6)	0.00389 (7)
S4	0.01687 (9)	0.02642 (11)	0.02482 (8)	−0.00312 (8)	−0.00155 (6)	0.00125 (7)
S5	0.02102 (9)	0.02757 (11)	0.02153 (8)	0.00596 (8)	0.00327 (6)	−0.00194 (7)
S6	0.01687 (9)	0.02657 (11)	0.02476 (8)	0.00258 (8)	−0.00145 (6)	−0.00138 (7)
S7	0.01977 (10)	0.03528 (12)	0.02507 (8)	−0.00969 (8)	0.00441 (7)	−0.00253 (8)
S8	0.01966 (10)	0.03576 (12)	0.02519 (8)	0.00900 (8)	0.00432 (7)	0.00251 (8)
S9	0.01661 (9)	0.02947 (12)	0.02684 (8)	−0.00459 (8)	−0.00177 (6)	0.00679 (7)
S10	0.01666 (9)	0.02962 (12)	0.02676 (8)	0.00359 (8)	−0.00166 (6)	−0.00678 (7)
S11	0.03051 (12)	0.03848 (13)	0.03095 (10)	−0.00953 (10)	−0.00469 (8)	0.01553 (9)
S12	0.03072 (12)	0.03850 (13)	0.03089 (10)	0.00840 (10)	−0.00479 (8)	−0.01556 (9)
S13	0.03233 (13)	0.03400 (13)	0.04580 (13)	−0.00054 (10)	−0.01847 (10)	−0.00333 (10)
S14	0.03156 (13)	0.03444 (13)	0.04542 (13)	−0.00041 (10)	−0.01785 (10)	0.00331 (10)
S15	0.01852 (11)	0.04910 (17)	0.06787 (18)	−0.00929 (11)	−0.00466 (11)	−0.00309 (13)
S16	0.01820 (11)	0.04893 (17)	0.06759 (18)	0.00859 (11)	−0.00439 (11)	0.00299 (13)
N1	0.0313 (5)	0.0683 (8)	0.0489 (5)	0.0041 (5)	−0.0016 (4)	−0.0115 (5)
C2	0.0203 (4)	0.0531 (7)	0.0378 (5)	−0.0040 (4)	0.0040 (3)	−0.0107 (4)
C3	0.0183 (4)	0.0576 (7)	0.0393 (5)	0.0052 (4)	0.0042 (3)	0.0122 (5)
N4	0.0301 (5)	0.0683 (7)	0.0481 (5)	−0.0031 (5)	0.0010 (4)	0.0144 (5)
C5	0.0359 (5)	0.0484 (6)	0.0339 (4)	−0.0020 (4)	−0.0032 (3)	0.0016 (4)
N5	0.0359 (5)	0.0484 (6)	0.0339 (4)	−0.0020 (4)	−0.0032 (3)	0.0016 (4)
C6	0.0354 (5)	0.0507 (6)	0.0331 (4)	0.0000 (4)	−0.0025 (3)	−0.0015 (4)
N6	0.0354 (5)	0.0507 (6)	0.0331 (4)	0.0000 (4)	−0.0025 (3)	−0.0015 (4)
C7	0.0177 (3)	0.0246 (4)	0.0218 (3)	0.0036 (3)	0.0036 (2)	0.0026 (3)
C8	0.0176 (3)	0.0261 (4)	0.0215 (3)	−0.0050 (3)	0.0040 (2)	−0.0027 (3)
C9	0.0187 (4)	0.0250 (4)	0.0294 (3)	0.0008 (3)	−0.0050 (3)	−0.0047 (3)
C10	0.0164 (3)	0.0246 (4)	0.0215 (3)	−0.0028 (3)	0.0005 (2)	0.0028 (3)
C11	0.0172 (3)	0.0236 (4)	0.0199 (3)	0.0030 (3)	0.0035 (2)	0.0002 (2)
C12	0.0162 (3)	0.0246 (4)	0.0213 (3)	0.0028 (3)	0.0005 (2)	−0.0026 (3)
C13	0.0186 (4)	0.0255 (4)	0.0293 (3)	−0.0007 (3)	−0.0044 (3)	0.0055 (3)
C14	0.0207 (4)	0.0285 (4)	0.0231 (3)	−0.0047 (3)	0.0008 (3)	0.0037 (3)
C15	0.0175 (3)	0.0241 (4)	0.0199 (3)	−0.0039 (3)	0.0034 (2)	−0.0006 (2)
C16	0.0201 (4)	0.0276 (4)	0.0228 (3)	0.0035 (3)	0.0007 (2)	−0.0049 (3)
C17	0.0160 (3)	0.0355 (5)	0.0330 (4)	−0.0037 (3)	0.0003 (3)	−0.0074 (3)
C18	0.0166 (4)	0.0340 (5)	0.0327 (4)	0.0020 (3)	0.0003 (3)	0.0064 (3)
C19	0.0182 (4)	0.0324 (5)	0.0295 (3)	−0.0035 (3)	0.0021 (3)	−0.0061 (3)
C20	0.0245 (4)	0.0323 (5)	0.0232 (3)	−0.0001 (3)	0.0007 (3)	0.0016 (3)
C21	0.0180 (4)	0.0318 (5)	0.0292 (3)	0.0031 (3)	0.0014 (3)	0.0054 (3)
C22	0.0399 (6)	0.0364 (6)	0.0704 (8)	0.0008 (5)	−0.0322 (6)	−0.0070 (5)
C23	0.0229 (4)	0.0329 (5)	0.0237 (3)	−0.0008 (3)	−0.0001 (3)	−0.0029 (3)
C24	0.0219 (5)	0.0448 (6)	0.0816 (8)	0.0076 (4)	−0.0119 (5)	−0.0259 (6)
C25	0.0219 (5)	0.0416 (6)	0.0808 (8)	−0.0077 (4)	−0.0100 (5)	0.0220 (6)
C26	0.0422 (7)	0.0378 (6)	0.0713 (8)	−0.0034 (5)	−0.0339 (6)	0.0078 (5)

Geometric parameters (Å, º)

Ag1—C2	2.0988 (13)	S10—C12	1.7464 (8)
Ag1—C5	2.0742 (10)	S11—C14	1.7486 (8)
Ag2—C3	2.0856 (13)	S12—C16	1.7485 (8)
Ag2—C6	2.0767 (10)	S13—C13	1.7482 (9)
S1—C14	1.7515 (9)	S14—C9	1.7419 (9)
S1—C15	1.7428 (8)	S15—C17	1.7491 (9)
S2—C11	1.7403 (8)	S16—C18	1.7525 (9)
S2—C12	1.7494 (7)	N1—C2	0.9940 (18)
S3—C10	1.7498 (8)	C3—N4	1.0022 (18)
S3—C15	1.7391 (8)	C5—C5^i	1.1531 (14)
S4—C8	1.7401 (8)	C6—C6^ii	1.1497 (14)
S4—C9	1.7460 (9)	C7—C11	1.3680 (10)
S5—C11	1.7404 (8)	C8—C15	1.3646 (10)
S5—C16	1.7474 (8)	C9—C17	1.3550 (12)
S6—C7	1.7419 (8)	C10—C14	1.3546 (11)
S6—C13	1.7427 (9)	C12—C16	1.3613 (11)
S7—C8	1.7420 (8)	C13—C18	1.3462 (12)
S7—C17	1.7482 (9)	C19—C23	1.5191 (12)
S8—C7	1.7393 (8)	C20—C21	1.5154 (12)
S8—C18	1.7529 (9)	C22—C24	1.5213 (19)
S9—C10	1.7490 (8)	C25—C26	1.5304 (19)
C2—Ag1—C5	161.84 (4)	S9—C10—C14	129.73 (6)
C3—Ag2—C6	161.84 (4)	S2—C11—S5	115.10 (4)
C14—S1—C15	95.27 (4)	S2—C11—C7	120.53 (6)
C11—S2—C12	95.96 (4)	S5—C11—C7	124.36 (6)
C10—S3—C15	96.00 (4)	S2—C12—S10	114.15 (4)
C8—S4—C9	95.18 (4)	S2—C12—C16	116.05 (6)
C11—S5—C16	95.34 (4)	S10—C12—C16	129.79 (6)
C7—S6—C13	94.97 (4)	S6—C13—S13	113.52 (5)
C8—S7—C17	95.14 (4)	S6—C13—C18	117.45 (6)
C7—S8—C18	94.92 (4)	S13—C13—C18	129.02 (7)
Ag1—C2—N1	175.07 (11)	S1—C14—S11	114.76 (5)
Ag2—C3—N4	174.46 (11)	S1—C14—C10	117.50 (6)
Ag1—C5—C5^i	174.20 (9)	S11—C14—C10	127.74 (6)
Ag2—C6—C6^ii	174.46 (9)	S1—C15—S3	114.98 (4)
S6—C7—S8	115.43 (4)	S1—C15—C8	124.33 (6)
S6—C7—C11	121.05 (6)	S3—C15—C8	120.68 (6)
S8—C7—C11	123.50 (6)	S5—C16—S12	114.96 (5)
S4—C8—S7	115.34 (4)	S5—C16—C12	117.52 (6)
S4—C8—C15	121.04 (6)	S12—C16—C12	127.50 (6)
S7—C8—C15	123.60 (6)	S7—C17—S15	115.75 (5)
S4—C9—S14	113.65 (5)	S7—C17—C9	116.94 (6)
S4—C9—C17	117.09 (6)	S15—C17—C9	127.27 (7)
S14—C9—C17	129.25 (7)	S8—C18—S16	115.25 (5)
S3—C10—S9	114.04 (4)	S8—C18—C13	116.91 (7)
S3—C10—C14	116.22 (6)	S16—C18—C13	127.80 (7)

Symmetry codes: (i) −x+2, −y+1, −z; (ii) −x, −y+2, −z+1.

(300K)

Crystal data

C3Ag2N3·2(C10H8S8)	V = 1756.56 (6) Å^3
Mr = 1063.17	Z = 2
Triclinic, P1	F(000) = 1050
Hall symbol: -P 1	Dx = 2.055 Mg m^−3
a = 15.0831 (3) Å	Synchrotron radiation, λ = 0.6717 Å
b = 8.6447 (1) Å	Cell parameters from 26905 reflections
c = 13.4755 (3) Å	θ = 2.6–32.0°
α = 90.012 (2)°	µ = 1.75 mm^−1
β = 91.364 (2)°	T = 293 K
γ = 89.998 (1)°	Plate

Data collection

Xcalibur, Atlas diffractometer	11624 independent reflections
Radiation source: synchrotron	9553 reflections with I > 3σ(I)
Synchrotron monochromator	Rint = 0.049
Detector resolution: 10.2930 pixels mm^-1	θmax = 32.4°, θmin = 1.9°
ω and φ scans	h = −23→23
Absorption correction: multi-scan CrysAlisPro 1.171.38.46 (Rigaku Oxford Diffraction, 2015) Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm.	k = −12→13
Tmin = 0.893, Tmax = 1	l = −21→21
11624 measured reflections

Refinement

Refinement on F	16 constraints
R[F^2 > 2σ(F^2)] = 0.047	H-atom parameters constrained
wR(F^2) = 0.067	Weighting scheme based on measured s.u.'s w = 1/(σ^2(F) + 0.0001F^2)
S = 2.41	(Δ/σ)max = 0.019
11624 reflections	Δρmax = 1.18 e Å^−3
397 parameters	Δρmin = −1.00 e Å^−3
2 restraints

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq	Occ. (<1)
Ag1	0.99546 (2)	0.26699 (4)	0.12664 (3)	0.07302 (11)
Ag2	0.00434 (3)	0.76684 (4)	0.37331 (3)	0.07320 (11)
S1	0.54168 (4)	0.02439 (9)	0.24304 (5)	0.04796 (17)
S2	0.37442 (4)	0.76037 (9)	0.37913 (4)	0.04685 (16)
S3	0.62561 (4)	0.26073 (9)	0.12105 (5)	0.04680 (17)
S4	0.46222 (4)	0.26280 (9)	−0.03083 (5)	0.04679 (17)
S5	0.45825 (4)	0.52443 (9)	0.25690 (4)	0.04804 (17)
S6	0.53770 (4)	0.76260 (9)	0.53080 (5)	0.04680 (17)
S7	0.36838 (5)	0.03546 (11)	0.08980 (5)	0.0530 (2)
S8	0.63179 (4)	0.53546 (10)	0.41024 (5)	0.05274 (19)
S9	0.78727 (4)	0.29263 (10)	0.24485 (6)	0.0530 (2)
S10	0.21297 (5)	0.79249 (10)	0.25541 (5)	0.0528 (2)
S11	0.68686 (6)	0.00705 (13)	0.39215 (6)	0.0656 (3)
S12	0.31320 (7)	0.50780 (13)	0.10764 (6)	0.0653 (3)
S13	0.68668 (8)	0.83327 (15)	0.66493 (10)	0.0759 (4)
S14	0.31288 (8)	0.33283 (14)	−0.16476 (10)	0.0762 (3)
S15	0.19835 (7)	0.0649 (2)	−0.02069 (16)	0.0970 (6)
S16	0.80171 (6)	0.56431 (19)	0.52176 (14)	0.0961 (5)
N1	1.0203 (3)	−0.0602 (5)	0.2265 (4)	0.0858 (16)
C2	1.0138 (3)	0.0537 (5)	0.1855 (3)	0.0677 (12)
C3	−0.0137 (3)	0.5460 (6)	0.3110 (3)	0.0637 (11)
N4	−0.0218 (3)	0.4486 (6)	0.2776 (4)	0.0844 (16)
C5	0.9967 (3)	0.4474 (5)	0.0250 (3)	0.0710 (12)	0.5
N5	0.9967 (3)	0.4474 (5)	0.0250 (3)	0.0710 (12)	0.5
C6	0.0033 (3)	0.9475 (5)	0.4748 (3)	0.0716 (12)	0.5
N6	0.0033 (3)	0.9475 (5)	0.4748 (3)	0.0716 (12)	0.5
C7	0.53651 (15)	0.6446 (3)	0.42583 (15)	0.0410 (5)
C8	0.46328 (15)	0.1444 (3)	0.07394 (16)	0.0414 (6)
C9	0.35162 (17)	0.2258 (4)	−0.0636 (2)	0.0475 (7)
C10	0.68507 (15)	0.1996 (3)	0.22654 (16)	0.0415 (6)
C11	0.46535 (15)	0.6415 (3)	0.36166 (15)	0.0400 (5)
C12	0.31490 (15)	0.6999 (3)	0.27388 (15)	0.0410 (6)
C13	0.64825 (17)	0.7272 (3)	0.5641 (2)	0.0478 (7)
C14	0.64620 (16)	0.0903 (3)	0.28279 (16)	0.0442 (6)
C15	0.53485 (15)	0.1415 (3)	0.13851 (15)	0.0397 (5)
C16	0.35387 (17)	0.5908 (3)	0.21745 (16)	0.0446 (6)
C17	0.30842 (18)	0.1222 (4)	−0.0088 (2)	0.0527 (8)
C18	0.69177 (16)	0.6224 (4)	0.5081 (2)	0.0519 (8)
C19	0.1629 (2)	0.6768 (5)	0.1580 (3)	0.0598 (10)
C20	0.7753 (2)	0.1394 (5)	0.4244 (2)	0.0620 (10)
C21	0.83717 (19)	0.1762 (4)	0.3418 (2)	0.0585 (9)
C22	0.2053 (4)	0.2549 (8)	−0.1863 (5)	0.103 (2)
C23	0.2247 (2)	0.6397 (5)	0.0756 (2)	0.0596 (10)
C24	0.1547 (3)	0.2204 (7)	−0.0945 (6)	0.108 (3)
C25	0.8452 (3)	0.7215 (7)	0.5947 (6)	0.106 (2)
C26	0.7940 (4)	0.7525 (7)	0.6882 (5)	0.099 (2)
H1c19	0.140704	0.582428	0.18563	0.0718*
H2c19	0.111436	0.728975	0.131326	0.0718*
H1c20	0.750714	0.233603	0.449511	0.0745*
H2c20	0.808727	0.099628	0.480264	0.0745*
H1c21	0.858967	0.081753	0.31393	0.0703*
H2c21	0.888794	0.227871	0.368462	0.0703*
H1c22	0.171301	0.323867	−0.228089	0.1233*
H2c22	0.20942	0.162877	−0.225742	0.1233*
H1c23	0.249128	0.733826	0.050189	0.0715*
H2c23	0.19126	0.599812	0.019707	0.0715*
H1c24	0.093885	0.199274	−0.112366	0.1298*
H2c24	0.151195	0.312101	−0.054615	0.1298*
H1c25	0.90619	0.701428	0.612145	0.1268*
H2c25	0.846319	0.813536	0.554969	0.1268*
H1c26	0.827745	0.820181	0.73102	0.1182*
H2c26	0.788379	0.658178	0.72512	0.1182*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Ag1	0.07130 (18)	0.06384 (19)	0.08336 (19)	−0.00071 (15)	−0.01005 (14)	0.01488 (15)
Ag2	0.07145 (19)	0.0641 (2)	0.08349 (19)	0.00328 (16)	−0.00996 (15)	−0.01224 (15)
S1	0.0430 (3)	0.0565 (4)	0.0445 (2)	−0.0128 (3)	0.00222 (19)	0.0073 (2)
S2	0.0410 (2)	0.0541 (4)	0.0452 (2)	0.0111 (3)	−0.00503 (18)	−0.0117 (2)
S3	0.0408 (2)	0.0540 (4)	0.0454 (2)	−0.0107 (3)	−0.00502 (18)	0.0122 (2)
S4	0.0376 (2)	0.0522 (4)	0.0502 (2)	−0.0059 (3)	−0.00499 (19)	0.0057 (2)
S5	0.0431 (3)	0.0567 (4)	0.0444 (2)	0.0128 (3)	0.00240 (18)	−0.0070 (2)
S6	0.0374 (2)	0.0526 (4)	0.0501 (2)	0.0059 (3)	−0.00472 (18)	−0.0057 (2)
S7	0.0421 (3)	0.0680 (5)	0.0491 (3)	−0.0161 (3)	0.0042 (2)	0.0000 (3)
S8	0.0420 (3)	0.0673 (4)	0.0490 (2)	0.0160 (3)	0.0043 (2)	0.0006 (3)
S9	0.0385 (2)	0.0616 (4)	0.0583 (3)	−0.0106 (3)	−0.0077 (2)	0.0174 (3)
S10	0.0382 (2)	0.0613 (4)	0.0583 (3)	0.0104 (3)	−0.0076 (2)	−0.0165 (3)
S11	0.0640 (4)	0.0756 (6)	0.0566 (3)	−0.0159 (4)	−0.0107 (3)	0.0287 (4)
S12	0.0629 (4)	0.0759 (6)	0.0564 (3)	0.0163 (5)	−0.0100 (3)	−0.0279 (4)
S13	0.0645 (5)	0.0717 (7)	0.0899 (7)	0.0021 (5)	−0.0347 (5)	−0.0156 (6)
S14	0.0657 (5)	0.0723 (6)	0.0890 (6)	−0.0017 (5)	−0.0343 (5)	0.0156 (5)
S15	0.0381 (4)	0.1075 (11)	0.1448 (14)	−0.0194 (6)	−0.0124 (5)	0.0176 (10)
S16	0.0385 (3)	0.1070 (10)	0.1420 (12)	0.0194 (5)	−0.0132 (5)	−0.0184 (9)
N1	0.079 (3)	0.090 (3)	0.088 (3)	0.008 (2)	−0.005 (2)	−0.007 (2)
C2	0.0520 (15)	0.081 (3)	0.0698 (18)	−0.0037 (18)	0.0046 (13)	−0.0147 (18)
C3	0.0531 (16)	0.070 (2)	0.0679 (17)	−0.0028 (18)	0.0043 (13)	0.0050 (16)
N4	0.073 (3)	0.087 (3)	0.093 (3)	−0.015 (2)	−0.003 (2)	0.003 (2)
C5	0.077 (2)	0.071 (2)	0.0645 (16)	0.0021 (19)	−0.0043 (14)	0.0107 (17)
N5	0.077 (2)	0.071 (2)	0.0645 (16)	0.0021 (19)	−0.0043 (14)	0.0107 (17)
C6	0.077 (2)	0.073 (3)	0.0644 (16)	0.001 (2)	−0.0076 (15)	−0.0109 (16)
N6	0.077 (2)	0.073 (3)	0.0644 (16)	0.001 (2)	−0.0076 (15)	−0.0109 (16)
C7	0.0352 (8)	0.0471 (12)	0.0407 (7)	0.0035 (9)	0.0000 (6)	0.0017 (8)
C8	0.0344 (8)	0.0479 (13)	0.0420 (8)	−0.0051 (10)	0.0003 (6)	−0.0025 (8)
C9	0.0366 (9)	0.0500 (15)	0.0554 (11)	0.0011 (11)	−0.0077 (8)	−0.0071 (10)
C10	0.0346 (8)	0.0486 (13)	0.0413 (8)	−0.0038 (9)	−0.0009 (6)	0.0066 (8)
C11	0.0364 (8)	0.0443 (12)	0.0392 (7)	0.0051 (9)	0.0005 (6)	−0.0016 (7)
C12	0.0358 (8)	0.0465 (13)	0.0405 (7)	0.0047 (10)	−0.0014 (6)	−0.0065 (8)
C13	0.0392 (10)	0.0495 (15)	0.0542 (11)	−0.0010 (11)	−0.0072 (8)	0.0061 (10)
C14	0.0413 (9)	0.0514 (14)	0.0398 (8)	−0.0062 (10)	0.0000 (7)	0.0079 (9)
C15	0.0360 (8)	0.0439 (12)	0.0391 (7)	−0.0059 (9)	0.0003 (6)	0.0001 (8)
C16	0.0412 (9)	0.0523 (14)	0.0403 (7)	0.0062 (11)	−0.0008 (7)	−0.0089 (8)
C17	0.0336 (9)	0.0642 (19)	0.0603 (13)	−0.0045 (12)	−0.0023 (9)	−0.0079 (13)
C18	0.0328 (9)	0.0615 (17)	0.0611 (12)	0.0060 (11)	−0.0023 (8)	0.0068 (12)
C19	0.0398 (11)	0.076 (2)	0.0635 (14)	−0.0018 (15)	−0.0010 (10)	−0.0167 (15)
C20	0.0538 (14)	0.084 (2)	0.0479 (11)	0.0055 (16)	0.0000 (10)	0.0104 (13)
C21	0.0407 (10)	0.074 (2)	0.0613 (13)	0.0084 (13)	0.0005 (9)	0.0170 (13)
C22	0.075 (3)	0.109 (5)	0.121 (5)	0.006 (3)	−0.052 (3)	−0.002 (4)
C23	0.0516 (13)	0.080 (2)	0.0468 (10)	0.0020 (16)	−0.0014 (9)	−0.0042 (12)
C24	0.0494 (18)	0.101 (4)	0.173 (7)	0.023 (3)	−0.027 (3)	−0.056 (4)
C25	0.0487 (17)	0.100 (4)	0.167 (6)	−0.008 (2)	−0.018 (3)	0.058 (4)
C26	0.077 (3)	0.102 (4)	0.114 (4)	0.001 (3)	−0.047 (3)	0.015 (3)

Geometric parameters (Å, º)

Ag1—C2	2.024 (4)	C5—C5^i	1.138 (6)
Ag1—C5	2.076 (4)	C5—N5	0
Ag1—N5	2.076 (4)	C5—N5^i	1.138 (6)
Ag2—C3	2.101 (5)	N5—N5^i	1.138 (6)
Ag2—C6	2.076 (4)	C6—C6^ii	1.140 (6)
Ag2—N6	2.076 (4)	C6—N6	0
S1—C14	1.748 (3)	C6—N6^ii	1.140 (6)
S1—C15	1.736 (2)	N6—N6^ii	1.140 (6)
S2—C11	1.734 (2)	C7—C11	1.362 (3)
S2—C12	1.741 (2)	C8—C15	1.371 (3)
S3—C10	1.745 (2)	C9—C17	1.340 (4)
S3—C15	1.734 (2)	C10—C14	1.354 (4)
S4—C8	1.744 (3)	C12—C16	1.354 (4)
S4—C9	1.745 (3)	C13—C18	1.358 (4)
S5—C11	1.738 (2)	C19—C23	1.502 (5)
S5—C16	1.747 (3)	C19—H1c19	0.96
S6—C7	1.744 (2)	C19—H2c19	0.96
S6—C13	1.744 (3)	C20—C21	1.503 (4)
S7—C8	1.731 (3)	C20—H1c20	0.96
S7—C17	1.757 (3)	C20—H2c20	0.96
S8—C7	1.736 (2)	C21—H1c21	0.96
S8—C18	1.751 (3)	C21—H2c21	0.96
S9—C10	1.751 (2)	C22—C24	1.498 (10)
S10—C12	1.746 (2)	C22—H1c22	0.96
S11—C14	1.739 (3)	C22—H2c22	0.96
S12—C16	1.743 (3)	C23—H1c23	0.96
S13—C13	1.728 (3)	C23—H2c23	0.96
S13—C26	1.783 (6)	C24—H1c24	0.96
S14—C9	1.738 (3)	C24—H2c24	0.96
S14—C22	1.775 (6)	C25—C26	1.517 (9)
S15—C17	1.736 (3)	C25—H1c25	0.96
S15—C24	1.789 (7)	C25—H2c25	0.96
S16—C18	1.738 (3)	C26—H1c26	0.96
N1—C2	1.131 (6)	C26—H2c26	0.96
C3—N4	0.961 (7)
C2—Ag1—C5	160.03 (17)	S2—C11—C7	121.07 (18)
C2—Ag1—N5	160.03 (17)	S5—C11—C7	123.99 (18)
C5—Ag1—N5	0.0 (5)	S2—C12—S10	114.44 (14)
C3—Ag2—C6	160.75 (17)	S2—C12—C16	116.37 (18)
C3—Ag2—N6	160.75 (17)	S10—C12—C16	129.18 (18)
C6—Ag2—N6	0.0 (5)	S6—C13—S13	114.21 (16)
C14—S1—C15	95.40 (12)	S6—C13—C18	116.5 (2)
C11—S2—C12	96.07 (11)	S13—C13—C18	129.3 (2)
C10—S3—C15	95.82 (11)	S1—C14—S11	114.96 (15)
C8—S4—C9	95.00 (13)	S1—C14—C10	117.09 (17)
C11—S5—C16	95.37 (11)	S11—C14—C10	127.95 (19)
C7—S6—C13	95.58 (12)	S1—C15—S3	115.15 (12)
C8—S7—C17	94.98 (13)	S1—C15—C8	123.81 (19)
C7—S8—C18	95.17 (12)	S3—C15—C8	121.02 (18)
C13—S13—C26	102.5 (2)	S5—C16—S12	114.82 (15)
C9—S14—C22	102.4 (2)	S5—C16—C12	117.26 (17)
C17—S15—C24	100.1 (2)	S12—C16—C12	127.92 (19)
Ag1—C2—N1	173.3 (4)	S7—C17—S15	115.0 (2)
Ag2—C3—N4	175.7 (5)	S7—C17—C9	117.0 (2)
Ag1—C5—C5^i	173.5 (4)	S15—C17—C9	128.0 (2)
Ag1—C5—N5	0	S8—C18—S16	115.48 (18)
Ag1—C5—N5^i	173.5 (4)	S8—C18—C13	117.18 (19)
C5^i—C5—N5	0	S16—C18—C13	127.3 (2)
C5^i—C5—N5^i	0.0 (5)	C23—C19—H1c19	109.47
N5—C5—N5^i	0	C23—C19—H2c19	109.47
Ag1—N5—C5	0	H1c19—C19—H2c19	105
Ag1—N5—C5^i	173.5 (4)	C21—C20—H1c20	109.47
Ag1—N5—N5^i	173.5 (4)	C21—C20—H2c20	109.47
C5—N5—C5^i	0	H1c20—C20—H2c20	103.12
C5—N5—N5^i	0	C20—C21—H1c21	109.47
C5^i—N5—N5^i	0.0 (5)	C20—C21—H2c21	109.47
Ag2—C6—C6^ii	173.7 (4)	H1c21—C21—H2c21	105.05
Ag2—C6—N6	0	S14—C22—C24	115.0 (5)
Ag2—C6—N6^ii	173.7 (4)	S14—C22—H1c22	109.47
C6^ii—C6—N6	0	S14—C22—H2c22	109.47
C6^ii—C6—N6^ii	0.0 (5)	C24—C22—H1c22	109.47
N6—C6—N6^ii	0	C24—C22—H2c22	109.47
Ag2—N6—C6	0	H1c22—C22—H2c22	103.31
Ag2—N6—C6^ii	173.7 (4)	C19—C23—H1c23	109.47
Ag2—N6—N6^ii	173.7 (4)	C19—C23—H2c23	109.47
C6—N6—C6^ii	0	H1c23—C23—H2c23	102.92
C6—N6—N6^ii	0	S15—C24—C22	114.9 (4)
C6^ii—N6—N6^ii	0.0 (5)	S15—C24—H1c24	109.47
S6—C7—S8	115.05 (12)	S15—C24—H2c24	109.47
S6—C7—C11	121.26 (18)	C22—C24—H1c24	109.47
S8—C7—C11	123.69 (18)	C22—C24—H2c24	109.47
S4—C8—S7	115.33 (13)	H1c24—C24—H2c24	103.45
S4—C8—C15	121.10 (19)	C26—C25—H1c25	109.47
S7—C8—C15	123.57 (19)	C26—C25—H2c25	109.47
S4—C9—S14	113.72 (16)	H1c25—C25—H2c25	104.85
S4—C9—C17	117.2 (2)	S13—C26—C25	113.7 (4)
S14—C9—C17	129.0 (2)	S13—C26—H1c26	109.47
S3—C10—S9	114.16 (14)	S13—C26—H2c26	109.47
S3—C10—C14	116.53 (18)	C25—C26—H1c26	109.47
S9—C10—C14	129.30 (18)	C25—C26—H2c26	109.47
S2—C11—S5	114.93 (12)	H1c26—C26—H2c26	104.93

Symmetry codes: (i) −x+2, −y+1, −z; (ii) −x, −y+2, −z+1.