Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536803028605/lh6148sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S1600536803028605/lh6148Isup2.hkl |
CCDC reference: 222962
Data collection: SMART (Bruker, 1998); cell refinement: SMART; data reduction: SAINT (Bruker, 1998); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: XP in SHELXTL (Bruker, 1998); software used to prepare material for publication: SHELXL97.
[Ag(C17H20S2)2]BF4 | F(000) = 792 |
Mr = 771.62 | Dx = 1.467 Mg m−3 |
Monoclinic, Pn | Mo Kα radiation, λ = 0.71073 Å |
Hall symbol: P_-2yac | Cell parameters from 981 reflections |
a = 9.209 (3) Å | θ = 3.1–19.7° |
b = 10.182 (3) Å | µ = 0.86 mm−1 |
c = 19.158 (5) Å | T = 293 K |
β = 103.507 (5)° | Prism, colorless |
V = 1746.7 (9) Å3 | 0.30 × 0.20 × 0.20 mm |
Z = 2 |
Bruker SMART 1000 diffractometer | 4519 reflections with I > 2σ(I) |
ω scans | Rint = 0.025 |
Absorption correction: multi-scan SADABS (Sheldrick, 1997) | θmax = 25.0°, θmin = 2.0° |
Tmin = 0.782, Tmax = 0.847 | h = −10→10 |
7056 measured reflections | k = −8→12 |
5074 independent reflections | l = −22→22 |
Refinement on F2 | w = 1/[σ2(Fo2) + (0.030P)2] where P = (Fo2 + 2Fc2)/3 |
R[F2 > 2σ(F2)] = 0.030 | (Δ/σ)max < 0.001 |
wR(F2) = 0.064 | Δρmax = 0.43 e Å−3 |
S = 1.07 | Δρmin = −0.30 e Å−3 |
5074 reflections | Absolute structure: Flack (1983); 1989 Friedel pairs |
425 parameters | Absolute structure parameter: 0.00 (2) |
H-atom parameters constrained |
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. Full-MATRIX |
x | y | z | Uiso*/Ueq | Occ. (<1) | |
Ag1 | 0.793322 (19) | −0.19422 (3) | 0.752687 (14) | 0.05103 (10) | |
S1 | 0.72698 (13) | 0.55992 (11) | 0.76004 (6) | 0.0536 (3) | |
S2 | 1.06107 (12) | −0.16724 (10) | 0.83734 (6) | 0.0480 (3) | |
S3 | −0.16656 (11) | −0.19570 (10) | 0.61871 (5) | 0.0417 (2) | |
S4 | 0.59617 (11) | −0.00789 (10) | 0.74055 (6) | 0.0469 (2) | |
C1 | 0.6350 (6) | 0.5590 (4) | 0.8882 (3) | 0.0614 (12) | |
H1A | 0.7315 | 0.5837 | 0.9112 | 0.074* | |
C2 | 0.5241 (8) | 0.5448 (5) | 0.9271 (3) | 0.0832 (17) | |
H2A | 0.5467 | 0.5582 | 0.9765 | 0.100* | |
C3 | 0.3822 (8) | 0.5109 (6) | 0.8912 (5) | 0.100 (2) | |
H3A | 0.3075 | 0.5048 | 0.9165 | 0.120* | |
C4 | 0.3479 (7) | 0.4858 (6) | 0.8188 (4) | 0.093 (2) | |
H4A | 0.2519 | 0.4599 | 0.7955 | 0.112* | |
C5 | 0.4550 (5) | 0.4990 (5) | 0.7819 (3) | 0.0677 (14) | |
H5A | 0.4314 | 0.4830 | 0.7328 | 0.081* | |
C6 | 0.5983 (4) | 0.5355 (4) | 0.8151 (2) | 0.0467 (10) | |
C7 | 0.8922 (5) | 0.4695 (4) | 0.8055 (2) | 0.0519 (11) | |
H7A | 0.9739 | 0.4901 | 0.7833 | 0.062* | |
H7B | 0.9210 | 0.4976 | 0.8553 | 0.062* | |
C8 | 0.8673 (5) | 0.3233 (4) | 0.8030 (2) | 0.0531 (11) | |
H8A | 0.8234 | 0.2980 | 0.7538 | 0.064* | |
H8B | 0.7960 | 0.3020 | 0.8314 | 0.064* | |
C9 | 1.0075 (5) | 0.2429 (4) | 0.8303 (2) | 0.0491 (10) | |
H9A | 1.0500 | 0.2639 | 0.8802 | 0.059* | |
H9B | 1.0808 | 0.2644 | 0.8030 | 0.059* | |
C10 | 0.9712 (4) | 0.0954 (4) | 0.8229 (2) | 0.0494 (10) | |
H10A | 0.9094 | 0.0728 | 0.8557 | 0.059* | |
H10B | 0.9133 | 0.0785 | 0.7745 | 0.059* | |
C11 | 1.1056 (5) | 0.0082 (4) | 0.8376 (2) | 0.0530 (11) | |
H11A | 1.1686 | 0.0311 | 0.8841 | 0.064* | |
H11B | 1.1622 | 0.0246 | 0.8017 | 0.064* | |
C12 | 1.0529 (4) | −0.1937 (4) | 0.9287 (2) | 0.0437 (9) | |
C13 | 1.1833 (6) | −0.2255 (5) | 0.9790 (3) | 0.0628 (14) | |
H13A | 1.2734 | −0.2328 | 0.9652 | 0.075* | |
C14 | 1.1775 (7) | −0.2462 (6) | 1.0496 (3) | 0.0779 (16) | |
H14A | 1.2645 | −0.2682 | 1.0833 | 0.094* | |
C15 | 1.0473 (7) | −0.2349 (5) | 1.0708 (3) | 0.0723 (15) | |
H15A | 1.0455 | −0.2485 | 1.1186 | 0.087* | |
C16 | 0.9193 (6) | −0.2036 (5) | 1.0218 (3) | 0.0661 (13) | |
H16A | 0.8299 | −0.1960 | 1.0361 | 0.079* | |
C17 | 0.9219 (6) | −0.1833 (4) | 0.9507 (3) | 0.0539 (12) | |
H17A | 0.8339 | −0.1624 | 0.9175 | 0.065* | |
C18 | 0.5528 (4) | −0.0916 (4) | 0.8711 (2) | 0.0500 (10) | |
H18A | 0.5760 | −0.1751 | 0.8573 | 0.060* | |
C19 | 0.5212 (5) | −0.0738 (6) | 0.9375 (2) | 0.0621 (13) | |
H19A | 0.5244 | −0.1448 | 0.9684 | 0.074* | |
C20 | 0.4850 (5) | 0.0494 (7) | 0.9578 (3) | 0.0726 (15) | |
H20A | 0.4644 | 0.0620 | 1.0026 | 0.087* | |
C21 | 0.4792 (6) | 0.1545 (6) | 0.9112 (3) | 0.0699 (16) | |
H21A | 0.4521 | 0.2373 | 0.9243 | 0.084* | |
C22 | 0.5138 (5) | 0.1369 (5) | 0.8452 (3) | 0.0561 (12) | |
H22A | 0.5125 | 0.2079 | 0.8145 | 0.067* | |
C23 | 0.5503 (4) | 0.0126 (4) | 0.8253 (2) | 0.0409 (9) | |
C24 | 0.4116 (5) | −0.0405 (4) | 0.6833 (2) | 0.0502 (11) | |
H24A | 0.3442 | 0.0280 | 0.6914 | 0.060* | |
H24B | 0.4182 | −0.0343 | 0.6336 | 0.060* | |
C25 | 0.3436 (4) | −0.1716 (4) | 0.6940 (2) | 0.0504 (11) | |
H25A | 0.3415 | −0.1818 | 0.7440 | 0.061* | |
H25B | 0.4047 | −0.2415 | 0.6816 | 0.061* | |
C26 | 0.1852 (5) | −0.1826 (4) | 0.6474 (2) | 0.0492 (11) | |
H26A | 0.1258 | −0.1105 | 0.6587 | 0.059* | |
H26B | 0.1885 | −0.1744 | 0.5973 | 0.059* | |
C27 | 0.1106 (5) | −0.3111 (4) | 0.6579 (2) | 0.0538 (11) | |
H27A | 0.1013 | −0.3157 | 0.7073 | 0.065* | |
H27B | 0.1750 | −0.3827 | 0.6506 | 0.065* | |
C28 | −0.0437 (5) | −0.3321 (4) | 0.6085 (2) | 0.0523 (11) | |
H28A | −0.0856 | −0.4142 | 0.6205 | 0.063* | |
H28B | −0.0352 | −0.3373 | 0.5591 | 0.063* | |
C29 | −0.3461 (4) | −0.2469 (4) | 0.5687 (2) | 0.0412 (9) | |
C30 | −0.4429 (5) | −0.1488 (4) | 0.5352 (2) | 0.0490 (10) | |
H30A | −0.4098 | −0.0624 | 0.5356 | 0.059* | |
C31 | −0.5878 (5) | −0.1798 (5) | 0.5014 (3) | 0.0565 (13) | |
H31A | −0.6525 | −0.1136 | 0.4798 | 0.068* | |
C32 | −0.6374 (5) | −0.3053 (5) | 0.4992 (3) | 0.0628 (13) | |
H32A | −0.7354 | −0.3253 | 0.4762 | 0.075* | |
C33 | −0.5420 (6) | −0.4020 (5) | 0.5311 (3) | 0.0717 (15) | |
H33A | −0.5758 | −0.4883 | 0.5291 | 0.086* | |
C34 | −0.3973 (5) | −0.3747 (5) | 0.5659 (2) | 0.0590 (12) | |
H34A | −0.3341 | −0.4418 | 0.5876 | 0.071* | |
B1 | 0.1221 (7) | 0.2876 (6) | 0.6411 (3) | 0.0793 (19) | |
F1 | 0.114 (4) | 0.1772 (14) | 0.6782 (13) | 0.257 (14) | 0.50 |
F2 | 0.0534 (17) | 0.269 (2) | 0.5743 (5) | 0.169 (8) | 0.50 |
F3 | 0.253 (2) | 0.340 (3) | 0.6409 (14) | 0.230 (14) | 0.50 |
F4 | 0.0318 (5) | 0.3659 (4) | 0.6683 (2) | 0.1125 (12) | |
F1' | 0.2416 (14) | 0.2607 (12) | 0.6910 (7) | 0.122 (4) | 0.50 |
F2' | 0.0765 (17) | 0.1738 (14) | 0.6127 (16) | 0.191 (8) | 0.50 |
F3' | 0.166 (4) | 0.355 (2) | 0.5902 (15) | 0.262 (14) | 0.50 |
U11 | U22 | U33 | U12 | U13 | U23 | |
Ag1 | 0.0556 (2) | 0.04937 (17) | 0.04836 (16) | −0.0004 (2) | 0.01272 (13) | 0.00044 (19) |
S1 | 0.0547 (7) | 0.0449 (6) | 0.0604 (7) | −0.0041 (5) | 0.0116 (5) | 0.0113 (5) |
S2 | 0.0436 (6) | 0.0453 (6) | 0.0546 (6) | 0.0040 (5) | 0.0102 (5) | −0.0025 (5) |
S3 | 0.0407 (6) | 0.0429 (6) | 0.0412 (5) | −0.0024 (5) | 0.0091 (4) | 0.0001 (5) |
S4 | 0.0365 (6) | 0.0509 (6) | 0.0541 (6) | 0.0019 (5) | 0.0124 (5) | 0.0046 (5) |
C1 | 0.068 (3) | 0.041 (3) | 0.074 (3) | 0.000 (2) | 0.015 (3) | 0.007 (2) |
C2 | 0.126 (6) | 0.056 (3) | 0.081 (4) | 0.006 (3) | 0.051 (4) | 0.006 (3) |
C3 | 0.083 (5) | 0.067 (4) | 0.172 (8) | 0.018 (4) | 0.074 (5) | 0.026 (5) |
C4 | 0.051 (4) | 0.082 (4) | 0.148 (6) | 0.002 (3) | 0.028 (4) | 0.025 (4) |
C5 | 0.046 (3) | 0.060 (3) | 0.089 (4) | −0.007 (2) | 0.001 (3) | 0.020 (3) |
C6 | 0.044 (2) | 0.033 (2) | 0.061 (3) | 0.0012 (18) | 0.008 (2) | 0.0098 (19) |
C7 | 0.048 (3) | 0.038 (2) | 0.070 (3) | −0.0043 (18) | 0.016 (2) | 0.003 (2) |
C8 | 0.050 (3) | 0.046 (3) | 0.063 (3) | −0.006 (2) | 0.013 (2) | 0.004 (2) |
C9 | 0.047 (2) | 0.042 (2) | 0.060 (3) | −0.008 (2) | 0.016 (2) | 0.007 (2) |
C10 | 0.045 (2) | 0.043 (2) | 0.061 (3) | −0.0049 (19) | 0.014 (2) | 0.000 (2) |
C11 | 0.045 (3) | 0.050 (3) | 0.065 (3) | −0.008 (2) | 0.014 (2) | 0.006 (2) |
C12 | 0.039 (2) | 0.038 (2) | 0.052 (2) | −0.0009 (17) | 0.0042 (19) | −0.0017 (19) |
C13 | 0.048 (3) | 0.064 (3) | 0.072 (4) | 0.006 (2) | 0.003 (3) | 0.006 (3) |
C14 | 0.078 (4) | 0.082 (4) | 0.062 (3) | 0.005 (3) | −0.007 (3) | 0.017 (3) |
C15 | 0.100 (4) | 0.058 (3) | 0.051 (3) | −0.010 (3) | 0.003 (3) | 0.003 (2) |
C16 | 0.074 (3) | 0.062 (3) | 0.068 (3) | −0.009 (3) | 0.028 (3) | −0.005 (3) |
C17 | 0.045 (3) | 0.054 (3) | 0.061 (3) | −0.009 (2) | 0.008 (2) | −0.002 (2) |
C18 | 0.042 (2) | 0.050 (3) | 0.055 (3) | 0.003 (2) | 0.006 (2) | −0.001 (2) |
C19 | 0.047 (3) | 0.090 (4) | 0.047 (2) | −0.002 (3) | 0.007 (2) | 0.009 (3) |
C20 | 0.047 (3) | 0.114 (5) | 0.056 (3) | −0.009 (3) | 0.011 (2) | −0.030 (3) |
C21 | 0.059 (3) | 0.072 (4) | 0.079 (4) | −0.010 (3) | 0.017 (3) | −0.039 (3) |
C22 | 0.047 (3) | 0.042 (2) | 0.079 (3) | 0.000 (2) | 0.015 (2) | −0.004 (2) |
C23 | 0.029 (2) | 0.043 (2) | 0.048 (2) | 0.0003 (17) | 0.0047 (17) | 0.0004 (19) |
C24 | 0.043 (3) | 0.059 (3) | 0.047 (2) | 0.005 (2) | 0.007 (2) | −0.001 (2) |
C25 | 0.042 (3) | 0.055 (3) | 0.052 (2) | 0.0075 (19) | 0.006 (2) | 0.004 (2) |
C26 | 0.038 (2) | 0.057 (3) | 0.053 (2) | 0.0044 (19) | 0.011 (2) | 0.000 (2) |
C27 | 0.044 (2) | 0.058 (3) | 0.057 (2) | 0.007 (2) | 0.006 (2) | −0.006 (2) |
C28 | 0.046 (3) | 0.053 (3) | 0.058 (3) | 0.003 (2) | 0.011 (2) | −0.014 (2) |
C29 | 0.043 (2) | 0.049 (2) | 0.030 (2) | −0.003 (2) | 0.0061 (18) | −0.0008 (19) |
C30 | 0.055 (3) | 0.046 (2) | 0.046 (2) | 0.004 (2) | 0.011 (2) | 0.000 (2) |
C31 | 0.051 (3) | 0.060 (3) | 0.055 (3) | 0.010 (2) | 0.005 (2) | 0.005 (2) |
C32 | 0.048 (3) | 0.076 (4) | 0.057 (3) | −0.006 (3) | −0.005 (2) | −0.008 (3) |
C33 | 0.070 (3) | 0.052 (3) | 0.081 (3) | −0.016 (3) | −0.007 (3) | −0.005 (3) |
C34 | 0.055 (3) | 0.050 (3) | 0.063 (3) | −0.005 (2) | −0.006 (2) | 0.005 (2) |
B1 | 0.097 (5) | 0.082 (5) | 0.058 (4) | 0.019 (4) | 0.017 (4) | −0.007 (4) |
F1 | 0.51 (4) | 0.118 (11) | 0.215 (15) | 0.165 (18) | 0.24 (2) | 0.071 (11) |
F2 | 0.172 (13) | 0.28 (2) | 0.056 (5) | −0.081 (15) | 0.030 (6) | −0.058 (8) |
F3 | 0.118 (11) | 0.34 (3) | 0.27 (2) | −0.130 (16) | 0.116 (13) | −0.21 (2) |
F4 | 0.147 (3) | 0.091 (3) | 0.117 (3) | 0.043 (2) | 0.067 (2) | 0.009 (2) |
F1' | 0.092 (7) | 0.099 (8) | 0.146 (9) | 0.029 (6) | −0.028 (7) | −0.014 (6) |
F2' | 0.149 (10) | 0.142 (12) | 0.27 (2) | 0.004 (10) | 0.015 (15) | −0.137 (14) |
F3' | 0.40 (4) | 0.24 (2) | 0.23 (2) | 0.17 (2) | 0.24 (2) | 0.118 (18) |
Ag1—S1i | 2.5884 (13) | C18—C23 | 1.373 (6) |
Ag1—S4 | 2.5985 (12) | C18—C19 | 1.382 (6) |
Ag1—S2 | 2.6300 (13) | C18—H18A | 0.9300 |
Ag1—S3ii | 2.6772 (12) | C19—C20 | 1.377 (7) |
S1—C6 | 1.778 (4) | C19—H19A | 0.9300 |
S1—C7 | 1.818 (4) | C20—C21 | 1.388 (8) |
S1—Ag1iii | 2.5884 (13) | C20—H20A | 0.9300 |
S2—C12 | 1.790 (5) | C21—C22 | 1.386 (7) |
S2—C11 | 1.832 (4) | C21—H21A | 0.9300 |
S3—C29 | 1.784 (4) | C22—C23 | 1.386 (6) |
S3—C28 | 1.831 (4) | C22—H22A | 0.9300 |
S3—Ag1iv | 2.6772 (12) | C24—C25 | 1.509 (6) |
S4—C23 | 1.783 (4) | C24—H24A | 0.9700 |
S4—C24 | 1.825 (4) | C24—H24B | 0.9700 |
C1—C6 | 1.383 (6) | C25—C26 | 1.526 (6) |
C1—C2 | 1.405 (7) | C25—H25A | 0.9700 |
C1—H1A | 0.9300 | C25—H25B | 0.9700 |
C2—C3 | 1.372 (9) | C26—C27 | 1.514 (6) |
C2—H2A | 0.9300 | C26—H26A | 0.9700 |
C3—C4 | 1.373 (9) | C26—H26B | 0.9700 |
C3—H3A | 0.9300 | C27—C28 | 1.527 (6) |
C4—C5 | 1.348 (8) | C27—H27A | 0.9700 |
C4—H4A | 0.9300 | C27—H27B | 0.9700 |
C5—C6 | 1.375 (6) | C28—H28A | 0.9700 |
C5—H5A | 0.9300 | C28—H28B | 0.9700 |
C7—C8 | 1.506 (5) | C29—C34 | 1.380 (6) |
C7—H7A | 0.9700 | C29—C30 | 1.392 (6) |
C7—H7B | 0.9700 | C30—C31 | 1.377 (6) |
C8—C9 | 1.515 (6) | C30—H30A | 0.9300 |
C8—H8A | 0.9700 | C31—C32 | 1.355 (6) |
C8—H8B | 0.9700 | C31—H31A | 0.9300 |
C9—C10 | 1.537 (6) | C32—C33 | 1.365 (7) |
C9—H9A | 0.9700 | C32—H32A | 0.9300 |
C9—H9B | 0.9700 | C33—C34 | 1.373 (6) |
C10—C11 | 1.496 (6) | C33—H33A | 0.9300 |
C10—H10A | 0.9700 | C34—H34A | 0.9300 |
C10—H10B | 0.9700 | B1—F2 | 1.302 (8) |
C11—H11A | 0.9700 | B1—F2' | 1.307 (8) |
C11—H11B | 0.9700 | B1—F1' | 1.307 (8) |
C12—C17 | 1.372 (7) | B1—F3 | 1.320 (8) |
C12—C13 | 1.391 (6) | B1—F3' | 1.332 (9) |
C13—C14 | 1.383 (7) | B1—F1 | 1.341 (9) |
C13—H13A | 0.9300 | B1—F4 | 1.342 (6) |
C14—C15 | 1.357 (8) | F1—F2' | 1.22 (2) |
C14—H14A | 0.9300 | F1—F1' | 1.42 (3) |
C15—C16 | 1.363 (7) | F2—F2' | 1.20 (2) |
C15—H15A | 0.9300 | F2—F3' | 1.34 (3) |
C16—C17 | 1.383 (7) | F3—F3' | 1.12 (2) |
C16—H16A | 0.9300 | F3—F1' | 1.28 (2) |
C17—H17A | 0.9300 | ||
S1i—Ag1—S4 | 122.83 (4) | C20—C21—H21A | 119.8 |
S1i—Ag1—S2 | 105.46 (3) | C21—C22—C23 | 119.4 (5) |
S4—Ag1—S2 | 120.91 (4) | C21—C22—H22A | 120.3 |
S1i—Ag1—S3ii | 97.69 (4) | C23—C22—H22A | 120.3 |
S4—Ag1—S3ii | 99.69 (3) | C18—C23—C22 | 119.9 (4) |
S2—Ag1—S3ii | 105.81 (4) | C18—C23—S4 | 121.3 (3) |
C6—S1—C7 | 104.14 (19) | C22—C23—S4 | 118.8 (3) |
C6—S1—Ag1iii | 111.46 (14) | C25—C24—S4 | 115.9 (3) |
C7—S1—Ag1iii | 109.52 (13) | C25—C24—H24A | 108.3 |
C12—S2—C11 | 101.8 (2) | S4—C24—H24A | 108.3 |
C12—S2—Ag1 | 109.88 (14) | C25—C24—H24B | 108.3 |
C11—S2—Ag1 | 106.29 (14) | S4—C24—H24B | 108.3 |
C29—S3—C28 | 103.9 (2) | H24A—C24—H24B | 107.4 |
C29—S3—Ag1iv | 101.43 (13) | C24—C25—C26 | 110.8 (3) |
C28—S3—Ag1iv | 109.50 (15) | C24—C25—H25A | 109.5 |
C23—S4—C24 | 100.56 (19) | C26—C25—H25A | 109.5 |
C23—S4—Ag1 | 108.24 (13) | C24—C25—H25B | 109.5 |
C24—S4—Ag1 | 117.01 (15) | C26—C25—H25B | 109.5 |
C6—C1—C2 | 119.0 (5) | H25A—C25—H25B | 108.1 |
C6—C1—H1A | 120.5 | C27—C26—C25 | 112.8 (3) |
C2—C1—H1A | 120.5 | C27—C26—H26A | 109.0 |
C3—C2—C1 | 119.0 (6) | C25—C26—H26A | 109.0 |
C3—C2—H2A | 120.5 | C27—C26—H26B | 109.0 |
C1—C2—H2A | 120.5 | C25—C26—H26B | 109.0 |
C2—C3—C4 | 121.4 (6) | H26A—C26—H26B | 107.8 |
C2—C3—H3A | 119.3 | C26—C27—C28 | 115.1 (4) |
C4—C3—H3A | 119.3 | C26—C27—H27A | 108.5 |
C5—C4—C3 | 119.2 (6) | C28—C27—H27A | 108.5 |
C5—C4—H4A | 120.4 | C26—C27—H27B | 108.5 |
C3—C4—H4A | 120.4 | C28—C27—H27B | 108.5 |
C4—C5—C6 | 121.7 (5) | H27A—C27—H27B | 107.5 |
C4—C5—H5A | 119.1 | C27—C28—S3 | 109.6 (3) |
C6—C5—H5A | 119.1 | C27—C28—H28A | 109.7 |
C5—C6—C1 | 119.7 (4) | S3—C28—H28A | 109.7 |
C5—C6—S1 | 117.7 (4) | C27—C28—H28B | 109.7 |
C1—C6—S1 | 122.5 (3) | S3—C28—H28B | 109.7 |
C8—C7—S1 | 112.4 (3) | H28A—C28—H28B | 108.2 |
C8—C7—H7A | 109.1 | C34—C29—C30 | 118.9 (4) |
S1—C7—H7A | 109.1 | C34—C29—S3 | 124.1 (3) |
C8—C7—H7B | 109.1 | C30—C29—S3 | 116.8 (4) |
S1—C7—H7B | 109.1 | C31—C30—C29 | 119.9 (4) |
H7A—C7—H7B | 107.9 | C31—C30—H30A | 120.1 |
C7—C8—C9 | 114.3 (4) | C29—C30—H30A | 120.1 |
C7—C8—H8A | 108.7 | C32—C31—C30 | 120.9 (4) |
C9—C8—H8A | 108.7 | C32—C31—H31A | 119.5 |
C7—C8—H8B | 108.7 | C30—C31—H31A | 119.5 |
C9—C8—H8B | 108.7 | C31—C32—C33 | 119.3 (5) |
H8A—C8—H8B | 107.6 | C31—C32—H32A | 120.4 |
C8—C9—C10 | 110.3 (3) | C33—C32—H32A | 120.4 |
C8—C9—H9A | 109.6 | C32—C33—C34 | 121.4 (5) |
C10—C9—H9A | 109.6 | C32—C33—H33A | 119.3 |
C8—C9—H9B | 109.6 | C34—C33—H33A | 119.3 |
C10—C9—H9B | 109.6 | C33—C34—C29 | 119.6 (4) |
H9A—C9—H9B | 108.1 | C33—C34—H34A | 120.2 |
C11—C10—C9 | 114.2 (3) | C29—C34—H34A | 120.2 |
C11—C10—H10A | 108.7 | F2—B1—F2' | 55.0 (10) |
C9—C10—H10A | 108.7 | F2—B1—F1' | 145.2 (13) |
C11—C10—H10B | 108.7 | F2'—B1—F1' | 104.7 (11) |
C9—C10—H10B | 108.7 | F2—B1—F3 | 106.9 (13) |
H10A—C10—H10B | 107.6 | F2'—B1—F3 | 124.0 (15) |
C10—C11—S2 | 113.8 (3) | F1'—B1—F3 | 58.1 (12) |
C10—C11—H11A | 108.8 | F2—B1—F3' | 61.0 (14) |
S2—C11—H11A | 108.8 | F2'—B1—F3' | 106.0 (14) |
C10—C11—H11B | 108.8 | F1'—B1—F3' | 107.3 (14) |
S2—C11—H11B | 108.8 | F3—B1—F3' | 50.0 (12) |
H11A—C11—H11B | 107.7 | F2—B1—F1 | 109.0 (13) |
C17—C12—C13 | 119.0 (4) | F2'—B1—F1 | 55.0 (11) |
C17—C12—S2 | 122.0 (3) | F1'—B1—F1 | 65.1 (13) |
C13—C12—S2 | 119.0 (4) | F3—B1—F1 | 120.2 (17) |
C14—C13—C12 | 119.2 (5) | F3'—B1—F1 | 152.4 (10) |
C14—C13—H13A | 120.4 | F2—B1—F4 | 105.4 (10) |
C12—C13—H13A | 120.4 | F2'—B1—F4 | 121.4 (10) |
C15—C14—C13 | 121.2 (5) | F1'—B1—F4 | 109.4 (7) |
C15—C14—H14A | 119.4 | F3—B1—F4 | 114.3 (10) |
C13—C14—H14A | 119.4 | F3'—B1—F4 | 107.3 (8) |
C14—C15—C16 | 119.7 (5) | F1—B1—F4 | 100.2 (7) |
C14—C15—H15A | 120.1 | F2'—F1—B1 | 61.1 (7) |
C16—C15—H15A | 120.1 | F2'—F1—F1' | 102.6 (14) |
C15—C16—C17 | 120.2 (5) | B1—F1—F1' | 56.3 (8) |
C15—C16—H16A | 119.9 | F2'—F2—B1 | 62.7 (7) |
C17—C16—H16A | 119.9 | F2'—F2—F3' | 111.9 (18) |
C12—C17—C16 | 120.6 (5) | B1—F2—F3' | 60.6 (8) |
C12—C17—H17A | 119.7 | F3'—F3—F1' | 124.9 (15) |
C16—C17—H17A | 119.7 | F3'—F3—B1 | 65.5 (9) |
C23—C18—C19 | 120.8 (4) | F1'—F3—B1 | 60.4 (8) |
C23—C18—H18A | 119.6 | F3—F1'—B1 | 61.5 (7) |
C19—C18—H18A | 119.6 | F3—F1'—F1 | 117.2 (11) |
C20—C19—C18 | 119.7 (5) | B1—F1'—F1 | 58.6 (8) |
C20—C19—H19A | 120.1 | F2—F2'—F1 | 124.8 (10) |
C18—C19—H19A | 120.1 | F2—F2'—B1 | 62.3 (7) |
C19—C20—C21 | 119.8 (5) | F1—F2'—B1 | 63.9 (7) |
C19—C20—H20A | 120.1 | F3—F3'—B1 | 64.5 (8) |
C21—C20—H20A | 120.1 | F3—F3'—F2 | 117.7 (16) |
C22—C21—C20 | 120.3 (5) | B1—F3'—F2 | 58.4 (9) |
C22—C21—H21A | 119.8 | ||
S1i—Ag1—S2—C12 | −67.04 (15) | F1'—B1—F1—F2' | −131.8 (14) |
S4—Ag1—S2—C12 | 78.17 (15) | F3—B1—F1—F2' | −112.6 (18) |
S3ii—Ag1—S2—C12 | −169.90 (14) | F3'—B1—F1—F2' | −52 (4) |
S1i—Ag1—S2—C11 | −176.41 (16) | F4—B1—F1—F2' | 121.4 (13) |
S4—Ag1—S2—C11 | −31.21 (16) | F2—B1—F1—F1' | 142.9 (14) |
S3ii—Ag1—S2—C11 | 80.72 (16) | F2'—B1—F1—F1' | 131.8 (14) |
S1i—Ag1—S4—C23 | 74.36 (14) | F3—B1—F1—F1' | 19.2 (13) |
S2—Ag1—S4—C23 | −64.76 (14) | F3'—B1—F1—F1' | 80 (4) |
S3ii—Ag1—S4—C23 | −179.87 (13) | F4—B1—F1—F1' | −106.8 (8) |
S1i—Ag1—S4—C24 | −38.26 (16) | F1'—B1—F2—F2' | 62 (2) |
S2—Ag1—S4—C24 | −177.38 (16) | F3—B1—F2—F2' | 120 (2) |
S3ii—Ag1—S4—C24 | 67.52 (16) | F3'—B1—F2—F2' | 141 (2) |
C6—C1—C2—C3 | −1.4 (7) | F1—B1—F2—F2' | −11 (2) |
C1—C2—C3—C4 | 2.5 (9) | F4—B1—F2—F2' | −117.8 (15) |
C2—C3—C4—C5 | −2.2 (9) | F2'—B1—F2—F3' | −141 (2) |
C3—C4—C5—C6 | 0.8 (8) | F1'—B1—F2—F3' | −78 (2) |
C4—C5—C6—C1 | 0.3 (7) | F3—B1—F2—F3' | −20.5 (16) |
C4—C5—C6—S1 | −176.1 (4) | F1—B1—F2—F3' | −151.8 (13) |
C2—C1—C6—C5 | 0.0 (6) | F4—B1—F2—F3' | 101.5 (10) |
C2—C1—C6—S1 | 176.2 (3) | F2—B1—F3—F3' | 23.6 (19) |
C7—S1—C6—C5 | −132.2 (3) | F2'—B1—F3—F3' | 82 (2) |
Ag1iii—S1—C6—C5 | 109.8 (3) | F1'—B1—F3—F3' | 169 (2) |
C7—S1—C6—C1 | 51.5 (4) | F1—B1—F3—F3' | 148.3 (17) |
Ag1iii—S1—C6—C1 | −66.5 (4) | F4—B1—F3—F3' | −92.6 (14) |
C6—S1—C7—C8 | 68.4 (4) | F2—B1—F3—F1' | −145.3 (14) |
Ag1iii—S1—C7—C8 | −172.3 (3) | F2'—B1—F3—F1' | −86.5 (17) |
S1—C7—C8—C9 | 171.3 (3) | F3'—B1—F3—F1' | −169 (2) |
C7—C8—C9—C10 | −178.0 (4) | F1—B1—F3—F1' | −20.6 (16) |
C8—C9—C10—C11 | 171.0 (4) | F4—B1—F3—F1' | 98.5 (14) |
C9—C10—C11—S2 | 174.3 (3) | F3'—F3—F1'—B1 | −12 (3) |
C12—S2—C11—C10 | −88.1 (3) | F3'—F3—F1'—F1 | 6 (4) |
Ag1—S2—C11—C10 | 26.9 (3) | B1—F3—F1'—F1 | 18.8 (14) |
C11—S2—C12—C17 | 92.0 (4) | F2—B1—F1'—F3 | 73 (2) |
Ag1—S2—C12—C17 | −20.4 (4) | F2'—B1—F1'—F3 | 121.2 (18) |
C11—S2—C12—C13 | −88.0 (4) | F3'—B1—F1'—F3 | 8.9 (19) |
Ag1—S2—C12—C13 | 159.7 (3) | F1—B1—F1'—F3 | 160.4 (15) |
C17—C12—C13—C14 | 0.1 (7) | F4—B1—F1'—F3 | −107.2 (12) |
S2—C12—C13—C14 | −179.9 (4) | F2—B1—F1'—F1 | −88 (2) |
C12—C13—C14—C15 | −0.5 (9) | F2'—B1—F1'—F1 | −39.1 (12) |
C13—C14—C15—C16 | 0.5 (9) | F3—B1—F1'—F1 | −160.4 (15) |
C14—C15—C16—C17 | −0.1 (8) | F3'—B1—F1'—F1 | −151.5 (12) |
C13—C12—C17—C16 | 0.3 (7) | F4—B1—F1'—F1 | 92.4 (8) |
S2—C12—C17—C16 | −179.7 (3) | F2'—F1—F1'—F3 | 22.6 (19) |
C15—C16—C17—C12 | −0.3 (7) | B1—F1—F1'—F3 | −19.4 (15) |
C23—C18—C19—C20 | 0.8 (6) | F2'—F1—F1'—B1 | 42.0 (10) |
C18—C19—C20—C21 | 0.5 (7) | B1—F2—F2'—F1 | 14 (3) |
C19—C20—C21—C22 | −1.8 (7) | F3'—F2—F2'—F1 | 51 (4) |
C20—C21—C22—C23 | 1.7 (7) | F3'—F2—F2'—B1 | 36.5 (14) |
C19—C18—C23—C22 | −0.9 (6) | B1—F1—F2'—F2 | −14 (3) |
C19—C18—C23—S4 | 178.1 (3) | F1'—F1—F2'—F2 | −53 (3) |
C21—C22—C23—C18 | −0.3 (6) | F1'—F1—F2'—B1 | −39.5 (8) |
C21—C22—C23—S4 | −179.4 (4) | F1'—B1—F2'—F2 | −148.5 (15) |
C24—S4—C23—C18 | 91.5 (3) | F3—B1—F2'—F2 | −87 (2) |
Ag1—S4—C23—C18 | −31.7 (3) | F3'—B1—F2'—F2 | −35 (2) |
C24—S4—C23—C22 | −89.4 (4) | F1—B1—F2'—F2 | 167 (2) |
Ag1—S4—C23—C22 | 147.4 (3) | F4—B1—F2'—F2 | 87.3 (18) |
C23—S4—C24—C25 | −70.6 (4) | F2—B1—F2'—F1 | −167 (2) |
Ag1—S4—C24—C25 | 46.3 (4) | F1'—B1—F2'—F1 | 44.3 (16) |
S4—C24—C25—C26 | 175.6 (3) | F3—B1—F2'—F1 | 105 (2) |
C24—C25—C26—C27 | −178.2 (4) | F3'—B1—F2'—F1 | 157.6 (17) |
C25—C26—C27—C28 | −175.5 (4) | F4—B1—F2'—F1 | −79.9 (14) |
C26—C27—C28—S3 | −56.3 (4) | F1'—F3—F3'—B1 | 12 (2) |
C29—S3—C28—C27 | −171.6 (3) | F1'—F3—F3'—F2 | −13 (4) |
Ag1iv—S3—C28—C27 | −63.9 (3) | B1—F3—F3'—F2 | −25.0 (15) |
C28—S3—C29—C34 | 37.3 (4) | F2—B1—F3'—F3 | −154.0 (19) |
Ag1iv—S3—C29—C34 | −76.4 (4) | F2'—B1—F3'—F3 | −121 (2) |
C28—S3—C29—C30 | −147.7 (3) | F1'—B1—F3'—F3 | −10 (2) |
Ag1iv—S3—C29—C30 | 98.7 (3) | F1—B1—F3'—F3 | −79 (4) |
C34—C29—C30—C31 | 1.4 (6) | F4—B1—F3'—F3 | 107.6 (15) |
S3—C29—C30—C31 | −173.9 (4) | F2'—B1—F3'—F2 | 32.7 (17) |
C29—C30—C31—C32 | −1.1 (7) | F1'—B1—F3'—F2 | 144.1 (16) |
C30—C31—C32—C33 | 0.1 (8) | F3—B1—F3'—F2 | 154.0 (19) |
C31—C32—C33—C34 | 0.6 (8) | F1—B1—F3'—F2 | 75 (4) |
C32—C33—C34—C29 | −0.3 (8) | F4—B1—F3'—F2 | −98.4 (12) |
C30—C29—C34—C33 | −0.7 (7) | F2'—F2—F3'—F3 | −11 (3) |
S3—C29—C34—C33 | 174.3 (4) | B1—F2—F3'—F3 | 26.6 (17) |
F2—B1—F1—F2' | 11 (2) | F2'—F2—F3'—B1 | −37.4 (15) |
Symmetry codes: (i) x, y−1, z; (ii) x+1, y, z; (iii) x, y+1, z; (iv) x−1, y, z. |