The structures of two polymorphs, both monoclinic P21/n [polymorph (I)] and P21/c [polymorph (II)], of di-μ-thiocyanato-κ2N:S;κ2S:N-bis[bis(tri-p-fluorophenylphosphine-κP)silver(I)] complexes have been determined at 100 K. In both polymorphs the complex has a dinuclear structure where the silver(I) coordinates to two phosphine ligands and two bridging thiocyanate anions to form complexes with distorted tetrahedral geometry. Polymorph (I) has just one half of the [Ag2(SCN)2{P(4-FC6H4)3}4] molecule at (0, ½, 0) from the origin in the asymmetric unit. Polymorph (II) has one and a half molecules of [Ag2(SCN)2{P(4-FC6H4)3}4] in the asymmetric unit; the half molecule is situated at (0, 1, ½), while the full molecule is located at (1/3, ½, 1/3) from the origin. The Ag—P bond distances range from 2.4437 (4) to 2.4956 (7) Å in both polymorphs. The Ag—S distances are 2.5773 (7) Å in (I) and 2.5457 (5), 2.5576 (5) and 2.5576 (5) Å in (II). The full molecule in polymorph (II) has slightly shorter Ag—N bond distances [2.375 (1) and 2.367 (2) Å] compared with the half molecules in both polymorphs [2.409 (2) Å in (II) and 2.395 (2) Å in (I)]. The two polymorphs are compared using r.m.s. overlay calculations as well as half-normal probability plot analysis.
Supporting information
CCDC references: 774095; 774096
For both structures, data collection: Apex2 (Bruker, 2005); cell refinement: SAINT-Plus (Bruker, 2004); data reduction: SAINT-Plus and XPREP (Bruker 2004); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: DIAMOND 3.0c (Brandenburg & Putz, 2004); software used to prepare material for publication: WinGX (Farrugia, 1999).
Crystal data top
C74H48Ag2F12N2P4S2 | F(000) = 1600 |
Mr = 1596.88 | Dx = 1.597 Mg m−3 |
Monoclinic, P21/n | Mo Kα radiation, λ = 0.71069 Å |
a = 8.7406 (3) Å | Cell parameters from 31007 reflections |
b = 15.4925 (6) Å | θ = 1.7–28.3° |
c = 24.5352 (10) Å | µ = 0.83 mm−1 |
β = 91.200 (1)° | T = 100 K |
V = 3321.7 (2) Å3 | Cuboid, colourless |
Z = 2 | 0.26 × 0.2 × 0.1 mm |
Data collection top
Bruker SMART CCD area detector diffractometer | 6764 reflections with I > 2σ(I) |
π and ω scans | Rint = 0.052 |
Absorption correction: multi-scan | θmax = 28.3°, θmin = 1.7° |
Tmin = 0.813, Tmax = 0.922 | h = −7→11 |
30208 measured reflections | k = −20→19 |
8264 independent reflections | l = −32→32 |
Refinement top
Refinement on F2 | 0 restraints |
Least-squares matrix: full | H-atom parameters constrained |
R[F2 > 2σ(F2)] = 0.037 | w = 1/[σ2(Fo2) + (0.047P)2] where P = (Fo2 + 2Fc2)/3 |
wR(F2) = 0.096 | (Δ/σ)max = 0.001 |
S = 1.05 | Δρmax = 0.61 e Å−3 |
8264 reflections | Δρmin = −0.66 e Å−3 |
433 parameters | |
Special details top
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. |
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top | x | y | z | Uiso*/Ueq | |
Ag | 0.24731 (2) | 0.387087 (12) | 0.029580 (7) | 0.01305 (7) | |
P1 | 0.34755 (7) | 0.25819 (4) | −0.01573 (3) | 0.01212 (14) | |
P2 | 0.23004 (7) | 0.38734 (4) | 0.13098 (3) | 0.01256 (14) | |
N | −0.0244 (3) | 0.38592 (14) | 0.01490 (10) | 0.0203 (5) | |
C | 0.1435 (3) | 0.58143 (17) | −0.01444 (10) | 0.0152 (5) | |
S | 0.31401 (7) | 0.53404 (4) | −0.01305 (3) | 0.01801 (15) | |
C111 | 0.4705 (3) | 0.26721 (16) | −0.07451 (9) | 0.0124 (5) | |
C112 | 0.4597 (3) | 0.34029 (17) | −0.10668 (10) | 0.0160 (5) | |
H112 | 0.3883 | 0.3842 | −0.098 | 0.019* | |
C113 | 0.5522 (3) | 0.35029 (18) | −0.15167 (10) | 0.0183 (6) | |
H113 | 0.544 | 0.3999 | −0.1743 | 0.022* | |
C114 | 0.6557 (3) | 0.28632 (18) | −0.16226 (10) | 0.0162 (5) | |
C115 | 0.6714 (3) | 0.21308 (18) | −0.13115 (11) | 0.0205 (6) | |
H115 | 0.7441 | 0.1699 | −0.1399 | 0.025* | |
C116 | 0.5782 (3) | 0.20397 (18) | −0.08660 (11) | 0.0186 (6) | |
H116 | 0.5876 | 0.1543 | −0.0641 | 0.022* | |
C121 | 0.1933 (3) | 0.18497 (16) | −0.03642 (10) | 0.0130 (5) | |
C122 | 0.1929 (3) | 0.13466 (17) | −0.08364 (10) | 0.0171 (5) | |
H122 | 0.277 | 0.1375 | −0.1075 | 0.021* | |
C123 | 0.0709 (3) | 0.08080 (18) | −0.09600 (11) | 0.0196 (6) | |
H123 | 0.0703 | 0.0464 | −0.1281 | 0.024* | |
C124 | −0.0488 (3) | 0.07822 (18) | −0.06103 (11) | 0.0203 (6) | |
C125 | −0.0545 (3) | 0.12601 (18) | −0.01395 (11) | 0.0201 (6) | |
H125 | −0.1387 | 0.1218 | 0.0098 | 0.024* | |
C126 | 0.0679 (3) | 0.18076 (18) | −0.00240 (10) | 0.0177 (6) | |
H126 | 0.0659 | 0.216 | 0.0293 | 0.021* | |
C131 | 0.4625 (3) | 0.19282 (17) | 0.03139 (10) | 0.0134 (5) | |
C132 | 0.4348 (3) | 0.10602 (17) | 0.04152 (11) | 0.0168 (5) | |
H132 | 0.3576 | 0.0764 | 0.0211 | 0.02* | |
C133 | 0.5196 (3) | 0.06210 (18) | 0.08154 (11) | 0.0205 (6) | |
H133 | 0.5009 | 0.0029 | 0.0889 | 0.025* | |
C134 | 0.6307 (3) | 0.10675 (18) | 0.11007 (11) | 0.0197 (6) | |
C135 | 0.6639 (3) | 0.19188 (19) | 0.10049 (11) | 0.0207 (6) | |
H135 | 0.7433 | 0.2203 | 0.1205 | 0.025* | |
C136 | 0.5785 (3) | 0.23531 (18) | 0.06095 (10) | 0.0172 (5) | |
H136 | 0.5989 | 0.2944 | 0.0539 | 0.021* | |
C211 | 0.1404 (3) | 0.28925 (17) | 0.15688 (10) | 0.0140 (5) | |
C212 | 0.2142 (3) | 0.21129 (18) | 0.14624 (10) | 0.0197 (6) | |
H212 | 0.3036 | 0.2113 | 0.1249 | 0.024* | |
C213 | 0.1597 (3) | 0.13449 (18) | 0.16616 (11) | 0.0211 (6) | |
H213 | 0.2096 | 0.0815 | 0.1586 | 0.025* | |
C214 | 0.0302 (3) | 0.13664 (18) | 0.19749 (10) | 0.0196 (6) | |
C215 | −0.0473 (3) | 0.21117 (19) | 0.20828 (10) | 0.0201 (6) | |
H215 | −0.1373 | 0.2102 | 0.2293 | 0.024* | |
C216 | 0.0084 (3) | 0.28810 (18) | 0.18782 (10) | 0.0172 (5) | |
H216 | −0.0438 | 0.3406 | 0.1949 | 0.021* | |
C221 | 0.4035 (3) | 0.38935 (16) | 0.17346 (10) | 0.0134 (5) | |
C222 | 0.4079 (3) | 0.35448 (17) | 0.22591 (10) | 0.0158 (5) | |
H222 | 0.3191 | 0.3276 | 0.2398 | 0.019* | |
C223 | 0.5392 (3) | 0.35850 (18) | 0.25791 (11) | 0.0181 (6) | |
H223 | 0.5422 | 0.3347 | 0.2936 | 0.022* | |
C224 | 0.6656 (3) | 0.39792 (17) | 0.23667 (11) | 0.0178 (6) | |
C225 | 0.6688 (3) | 0.43144 (18) | 0.18501 (11) | 0.0185 (6) | |
H225 | 0.7592 | 0.457 | 0.1714 | 0.022* | |
C226 | 0.5350 (3) | 0.42682 (17) | 0.15313 (10) | 0.0151 (5) | |
H226 | 0.5337 | 0.4495 | 0.1172 | 0.018* | |
C231 | 0.1168 (3) | 0.47667 (17) | 0.15692 (10) | 0.0143 (5) | |
C232 | 0.0969 (3) | 0.49341 (18) | 0.21255 (10) | 0.0192 (6) | |
H232 | 0.146 | 0.4577 | 0.2391 | 0.023* | |
C233 | 0.0066 (3) | 0.56112 (19) | 0.22903 (11) | 0.0229 (6) | |
H233 | −0.0087 | 0.5718 | 0.2666 | 0.027* | |
C234 | −0.0608 (3) | 0.61289 (18) | 0.18973 (13) | 0.0231 (6) | |
C235 | −0.0400 (3) | 0.60098 (18) | 0.13505 (12) | 0.0217 (6) | |
H235 | −0.0847 | 0.6392 | 0.109 | 0.026* | |
C236 | 0.0478 (3) | 0.53179 (17) | 0.11893 (11) | 0.0175 (6) | |
H236 | 0.0613 | 0.5216 | 0.0812 | 0.021* | |
F11 | 0.74858 (16) | 0.29620 (10) | −0.20545 (6) | 0.0215 (3) | |
F12 | −0.17071 (17) | 0.02636 (11) | −0.07358 (7) | 0.0274 (4) | |
F13 | 0.71066 (18) | 0.06429 (11) | 0.14997 (6) | 0.0270 (4) | |
F21 | −0.02032 (19) | 0.06108 (11) | 0.21857 (7) | 0.0289 (4) | |
F22 | 0.79471 (17) | 0.40213 (11) | 0.26891 (7) | 0.0264 (4) | |
F23 | −0.15038 (19) | 0.67931 (11) | 0.20597 (8) | 0.0345 (4) | |
Atomic displacement parameters (Å2) top | U11 | U22 | U33 | U12 | U13 | U23 |
Ag | 0.01508 (11) | 0.01203 (11) | 0.01215 (10) | 0.00253 (7) | 0.00337 (7) | 0.00062 (7) |
P1 | 0.0133 (3) | 0.0115 (3) | 0.0117 (3) | 0.0012 (2) | 0.0029 (2) | −0.0004 (3) |
P2 | 0.0143 (3) | 0.0122 (3) | 0.0114 (3) | 0.0000 (2) | 0.0036 (2) | 0.0005 (3) |
N | 0.0180 (12) | 0.0159 (12) | 0.0269 (13) | 0.0018 (9) | 0.0008 (10) | 0.0011 (10) |
C | 0.0182 (13) | 0.0124 (13) | 0.0152 (12) | −0.0046 (10) | 0.0030 (10) | 0.0020 (10) |
S | 0.0132 (3) | 0.0165 (3) | 0.0246 (3) | 0.0015 (2) | 0.0060 (3) | 0.0069 (3) |
C111 | 0.0133 (12) | 0.0134 (13) | 0.0106 (11) | −0.0019 (10) | 0.0004 (9) | −0.0014 (10) |
C112 | 0.0185 (13) | 0.0139 (14) | 0.0155 (12) | 0.0030 (10) | 0.0016 (10) | −0.0021 (11) |
C113 | 0.0226 (14) | 0.0144 (14) | 0.0179 (13) | −0.0005 (11) | 0.0032 (11) | 0.0030 (11) |
C114 | 0.0139 (12) | 0.0232 (15) | 0.0116 (12) | −0.0043 (10) | 0.0037 (10) | −0.0030 (11) |
C115 | 0.0177 (13) | 0.0231 (16) | 0.0209 (14) | 0.0075 (11) | 0.0062 (11) | −0.0012 (12) |
C116 | 0.0217 (13) | 0.0158 (14) | 0.0184 (13) | 0.0048 (11) | 0.0043 (11) | 0.0036 (11) |
C121 | 0.0123 (12) | 0.0134 (13) | 0.0134 (12) | 0.0009 (10) | −0.0007 (9) | 0.0023 (10) |
C122 | 0.0168 (13) | 0.0189 (14) | 0.0158 (13) | 0.0015 (10) | 0.0016 (10) | −0.0011 (11) |
C123 | 0.0250 (14) | 0.0171 (14) | 0.0166 (13) | 0.0003 (11) | −0.0024 (11) | −0.0042 (11) |
C124 | 0.0194 (13) | 0.0157 (14) | 0.0258 (15) | −0.0039 (11) | −0.0027 (11) | 0.0006 (12) |
C125 | 0.0182 (13) | 0.0215 (15) | 0.0209 (14) | −0.0011 (11) | 0.0054 (11) | 0.0016 (12) |
C126 | 0.0178 (13) | 0.0182 (15) | 0.0171 (13) | 0.0005 (10) | 0.0019 (10) | −0.0025 (11) |
C131 | 0.0155 (12) | 0.0146 (13) | 0.0104 (11) | 0.0018 (10) | 0.0048 (10) | −0.0001 (10) |
C132 | 0.0178 (13) | 0.0166 (14) | 0.0162 (13) | −0.0001 (10) | 0.0021 (10) | −0.0027 (11) |
C133 | 0.0250 (14) | 0.0122 (14) | 0.0242 (14) | 0.0029 (11) | 0.0007 (11) | 0.0023 (11) |
C134 | 0.0188 (14) | 0.0243 (16) | 0.0158 (13) | 0.0090 (11) | 0.0007 (11) | 0.0024 (11) |
C135 | 0.0197 (13) | 0.0226 (16) | 0.0195 (14) | −0.0024 (11) | −0.0020 (11) | −0.0005 (12) |
C136 | 0.0171 (13) | 0.0162 (14) | 0.0184 (13) | −0.0017 (10) | 0.0015 (10) | 0.0008 (11) |
C211 | 0.0164 (12) | 0.0153 (14) | 0.0101 (11) | −0.0040 (10) | −0.0009 (9) | 0.0012 (10) |
C212 | 0.0235 (14) | 0.0179 (15) | 0.0179 (13) | −0.0016 (11) | 0.0067 (11) | −0.0019 (11) |
C213 | 0.0316 (15) | 0.0142 (14) | 0.0175 (13) | −0.0021 (11) | 0.0022 (12) | −0.0023 (11) |
C214 | 0.0260 (14) | 0.0184 (15) | 0.0142 (13) | −0.0102 (11) | −0.0037 (11) | 0.0042 (11) |
C215 | 0.0140 (13) | 0.0279 (16) | 0.0186 (13) | −0.0065 (11) | 0.0028 (10) | 0.0030 (12) |
C216 | 0.0170 (13) | 0.0186 (14) | 0.0158 (13) | −0.0024 (10) | 0.0000 (10) | 0.0008 (11) |
C221 | 0.0173 (12) | 0.0110 (13) | 0.0120 (12) | 0.0021 (10) | 0.0019 (10) | −0.0020 (10) |
C222 | 0.0158 (12) | 0.0174 (14) | 0.0142 (12) | −0.0021 (10) | 0.0032 (10) | 0.0022 (11) |
C223 | 0.0226 (14) | 0.0181 (14) | 0.0136 (12) | 0.0015 (11) | 0.0001 (10) | −0.0003 (11) |
C224 | 0.0136 (12) | 0.0191 (15) | 0.0205 (14) | 0.0029 (10) | −0.0032 (10) | −0.0058 (11) |
C225 | 0.0159 (13) | 0.0173 (14) | 0.0225 (14) | −0.0021 (11) | 0.0066 (11) | −0.0011 (11) |
C226 | 0.0187 (13) | 0.0117 (13) | 0.0152 (12) | 0.0013 (10) | 0.0055 (10) | 0.0005 (10) |
C231 | 0.0112 (12) | 0.0151 (13) | 0.0169 (12) | −0.0028 (10) | 0.0055 (10) | −0.0012 (10) |
C232 | 0.0197 (13) | 0.0215 (15) | 0.0165 (13) | −0.0041 (11) | 0.0023 (11) | −0.0018 (11) |
C233 | 0.0253 (14) | 0.0235 (16) | 0.0203 (14) | −0.0084 (12) | 0.0096 (12) | −0.0117 (12) |
C234 | 0.0144 (13) | 0.0163 (15) | 0.0388 (17) | −0.0022 (11) | 0.0092 (12) | −0.0126 (13) |
C235 | 0.0176 (13) | 0.0163 (15) | 0.0312 (16) | 0.0005 (10) | 0.0019 (12) | −0.0011 (12) |
C236 | 0.0156 (13) | 0.0181 (14) | 0.0189 (13) | −0.0017 (10) | 0.0024 (10) | −0.0001 (11) |
F11 | 0.0216 (8) | 0.0266 (9) | 0.0167 (8) | −0.0024 (7) | 0.0098 (6) | −0.0016 (7) |
F12 | 0.0214 (8) | 0.0270 (10) | 0.0337 (9) | −0.0110 (7) | −0.0008 (7) | −0.0065 (8) |
F13 | 0.0298 (9) | 0.0294 (10) | 0.0216 (8) | 0.0065 (7) | −0.0066 (7) | 0.0088 (7) |
F21 | 0.0362 (9) | 0.0216 (9) | 0.0289 (9) | −0.0134 (8) | −0.0011 (7) | 0.0097 (8) |
F22 | 0.0158 (8) | 0.0372 (11) | 0.0260 (9) | −0.0007 (7) | −0.0038 (7) | −0.0049 (8) |
F23 | 0.0287 (9) | 0.0225 (10) | 0.0526 (11) | 0.0054 (7) | 0.0132 (8) | −0.0155 (9) |
Geometric parameters (Å, º) top
Ag—N | 2.395 (2) | C133—H133 | 0.95 |
Ag—P1 | 2.4560 (7) | C134—F13 | 1.361 (3) |
Ag—P2 | 2.4956 (7) | C134—C135 | 1.372 (4) |
Ag—S | 2.5773 (7) | C135—C136 | 1.386 (4) |
P1—C111 | 1.822 (2) | C135—H135 | 0.95 |
P1—C131 | 1.823 (3) | C136—H136 | 0.95 |
P1—C121 | 1.826 (3) | C211—C216 | 1.394 (3) |
P2—C221 | 1.822 (3) | C211—C212 | 1.397 (4) |
P2—C231 | 1.824 (3) | C212—C213 | 1.375 (4) |
P2—C211 | 1.830 (3) | C212—H212 | 0.95 |
N—Ci | 1.157 (3) | C213—C214 | 1.382 (4) |
C—Ni | 1.157 (3) | C213—H213 | 0.95 |
C—S | 1.661 (3) | C214—F21 | 1.357 (3) |
C111—C112 | 1.382 (4) | C214—C215 | 1.367 (4) |
C111—C116 | 1.395 (3) | C215—C216 | 1.386 (4) |
C112—C113 | 1.391 (3) | C215—H215 | 0.95 |
C112—H112 | 0.95 | C216—H216 | 0.95 |
C113—C114 | 1.370 (4) | C221—C226 | 1.389 (3) |
C113—H113 | 0.95 | C221—C222 | 1.396 (3) |
C114—F11 | 1.357 (3) | C222—C223 | 1.378 (4) |
C114—C115 | 1.373 (4) | C222—H222 | 0.95 |
C115—C116 | 1.384 (3) | C223—C224 | 1.374 (4) |
C115—H115 | 0.95 | C223—H223 | 0.95 |
C116—H116 | 0.95 | C224—F22 | 1.366 (3) |
C121—C126 | 1.393 (3) | C224—C225 | 1.371 (4) |
C121—C122 | 1.396 (3) | C225—C226 | 1.396 (4) |
C122—C123 | 1.382 (4) | C225—H225 | 0.95 |
C122—H122 | 0.95 | C226—H226 | 0.95 |
C123—C124 | 1.368 (4) | C231—C236 | 1.392 (4) |
C123—H123 | 0.95 | C231—C232 | 1.404 (3) |
C124—F12 | 1.365 (3) | C232—C233 | 1.378 (4) |
C124—C125 | 1.374 (4) | C232—H232 | 0.95 |
C125—C126 | 1.389 (4) | C233—C234 | 1.377 (4) |
C125—H125 | 0.95 | C233—H233 | 0.95 |
C126—H126 | 0.95 | C234—F23 | 1.358 (3) |
C131—C132 | 1.390 (3) | C234—C235 | 1.370 (4) |
C131—C136 | 1.399 (4) | C235—C236 | 1.381 (4) |
C132—C133 | 1.395 (4) | C235—H235 | 0.95 |
C132—H132 | 0.95 | C236—H236 | 0.95 |
C133—C134 | 1.372 (4) | | |
| | | |
N—Ag—P1 | 106.73 (6) | C132—C133—H133 | 120.9 |
N—Ag—P2 | 93.98 (6) | F13—C134—C135 | 118.8 (2) |
P1—Ag—P2 | 118.82 (2) | F13—C134—C133 | 118.1 (3) |
N—Ag—S | 100.23 (6) | C135—C134—C133 | 123.2 (3) |
P1—Ag—S | 116.66 (2) | C134—C135—C136 | 118.3 (3) |
P2—Ag—S | 114.97 (2) | C134—C135—H135 | 120.8 |
C111—P1—C131 | 102.60 (11) | C136—C135—H135 | 120.8 |
C111—P1—C121 | 105.78 (11) | C135—C136—C131 | 120.6 (3) |
C131—P1—C121 | 103.01 (11) | C135—C136—H136 | 119.7 |
C111—P1—Ag | 121.18 (9) | C131—C136—H136 | 119.7 |
C131—P1—Ag | 111.21 (8) | C216—C211—C212 | 118.8 (2) |
C121—P1—Ag | 111.26 (8) | C216—C211—P2 | 124.4 (2) |
C221—P2—C231 | 103.81 (11) | C212—C211—P2 | 116.76 (18) |
C221—P2—C211 | 99.96 (11) | C213—C212—C211 | 121.1 (2) |
C231—P2—C211 | 105.63 (11) | C213—C212—H212 | 119.4 |
C221—P2—Ag | 120.22 (8) | C211—C212—H212 | 119.4 |
C231—P2—Ag | 113.18 (8) | C212—C213—C214 | 118.1 (3) |
C211—P2—Ag | 112.34 (8) | C212—C213—H213 | 121 |
Ci—N—Ag | 152.5 (2) | C214—C213—H213 | 121 |
Ni—C—S | 179.3 (3) | F21—C214—C215 | 119.2 (2) |
C—S—Ag | 100.86 (9) | F21—C214—C213 | 117.9 (3) |
C112—C111—C116 | 119.5 (2) | C215—C214—C213 | 122.9 (3) |
C112—C111—P1 | 118.72 (19) | C214—C215—C216 | 118.5 (2) |
C116—C111—P1 | 121.76 (19) | C214—C215—H215 | 120.7 |
C111—C112—C113 | 120.7 (2) | C216—C215—H215 | 120.7 |
C111—C112—H112 | 119.7 | C215—C216—C211 | 120.6 (3) |
C113—C112—H112 | 119.7 | C215—C216—H216 | 119.7 |
C114—C113—C112 | 117.8 (2) | C211—C216—H216 | 119.7 |
C114—C113—H113 | 121.1 | C226—C221—C222 | 119.0 (2) |
C112—C113—H113 | 121.1 | C226—C221—P2 | 119.10 (19) |
F11—C114—C113 | 118.3 (2) | C222—C221—P2 | 121.85 (19) |
F11—C114—C115 | 118.2 (2) | C223—C222—C221 | 121.0 (2) |
C113—C114—C115 | 123.4 (2) | C223—C222—H222 | 119.5 |
C114—C115—C116 | 118.0 (2) | C221—C222—H222 | 119.5 |
C114—C115—H115 | 121 | C224—C223—C222 | 118.1 (2) |
C116—C115—H115 | 121 | C224—C223—H223 | 121 |
C115—C116—C111 | 120.5 (2) | C222—C223—H223 | 121 |
C115—C116—H116 | 119.8 | F22—C224—C225 | 119.0 (2) |
C111—C116—H116 | 119.8 | F22—C224—C223 | 117.6 (2) |
C126—C121—C122 | 118.8 (2) | C225—C224—C223 | 123.5 (2) |
C126—C121—P1 | 116.64 (19) | C224—C225—C226 | 117.7 (2) |
C122—C121—P1 | 124.52 (19) | C224—C225—H225 | 121.1 |
C123—C122—C121 | 120.5 (2) | C226—C225—H225 | 121.1 |
C123—C122—H122 | 119.7 | C221—C226—C225 | 120.7 (2) |
C121—C122—H122 | 119.7 | C221—C226—H226 | 119.7 |
C124—C123—C122 | 118.4 (2) | C225—C226—H226 | 119.7 |
C124—C123—H123 | 120.8 | C236—C231—C232 | 118.5 (2) |
C122—C123—H123 | 120.8 | C236—C231—P2 | 117.55 (19) |
F12—C124—C123 | 118.7 (2) | C232—C231—P2 | 124.0 (2) |
F12—C124—C125 | 117.7 (2) | C233—C232—C231 | 120.6 (3) |
C123—C124—C125 | 123.6 (3) | C233—C232—H232 | 119.7 |
C124—C125—C126 | 117.3 (2) | C231—C232—H232 | 119.7 |
C124—C125—H125 | 121.3 | C234—C233—C232 | 118.5 (2) |
C126—C125—H125 | 121.3 | C234—C233—H233 | 120.8 |
C125—C126—C121 | 121.2 (2) | C232—C233—H233 | 120.8 |
C125—C126—H126 | 119.4 | F23—C234—C235 | 118.6 (3) |
C121—C126—H126 | 119.4 | F23—C234—C233 | 118.5 (3) |
C132—C131—C136 | 119.3 (2) | C235—C234—C233 | 122.9 (3) |
C132—C131—P1 | 123.7 (2) | C234—C235—C236 | 118.1 (3) |
C136—C131—P1 | 116.8 (2) | C234—C235—H235 | 121 |
C131—C132—C133 | 120.4 (2) | C236—C235—H235 | 121 |
C131—C132—H132 | 119.8 | C235—C236—C231 | 121.3 (3) |
C133—C132—H132 | 119.8 | C235—C236—H236 | 119.3 |
C134—C133—C132 | 118.2 (3) | C231—C236—H236 | 119.3 |
C134—C133—H133 | 120.9 | | |
| | | |
N—Ag—P1—C111 | 113.91 (11) | C121—P1—C131—C136 | −170.67 (18) |
P2—Ag—P1—C111 | −141.72 (9) | Ag—P1—C131—C136 | −51.4 (2) |
S—Ag—P1—C111 | 2.90 (10) | C136—C131—C132—C133 | 1.3 (4) |
N—Ag—P1—C131 | −125.52 (10) | P1—C131—C132—C133 | −174.53 (19) |
P2—Ag—P1—C131 | −21.16 (9) | C131—C132—C133—C134 | −0.4 (4) |
S—Ag—P1—C131 | 123.46 (9) | C132—C133—C134—F13 | 178.4 (2) |
N—Ag—P1—C121 | −11.31 (10) | C132—C133—C134—C135 | −1.1 (4) |
P2—Ag—P1—C121 | 93.06 (9) | F13—C134—C135—C136 | −178.0 (2) |
S—Ag—P1—C121 | −122.32 (9) | C133—C134—C135—C136 | 1.6 (4) |
N—Ag—P2—C221 | −179.35 (11) | C134—C135—C136—C131 | −0.5 (4) |
P1—Ag—P2—C221 | 69.08 (10) | C132—C131—C136—C135 | −0.9 (4) |
S—Ag—P2—C221 | −76.12 (10) | P1—C131—C136—C135 | 175.27 (19) |
N—Ag—P2—C231 | −55.99 (10) | C221—P2—C211—C216 | 110.1 (2) |
P1—Ag—P2—C231 | −167.56 (9) | C231—P2—C211—C216 | 2.6 (2) |
S—Ag—P2—C231 | 47.24 (9) | Ag—P2—C211—C216 | −121.3 (2) |
N—Ag—P2—C211 | 63.54 (10) | C221—P2—C211—C212 | −67.4 (2) |
P1—Ag—P2—C211 | −48.03 (9) | C231—P2—C211—C212 | −174.86 (19) |
S—Ag—P2—C211 | 166.77 (9) | Ag—P2—C211—C212 | 61.3 (2) |
P1—Ag—N—Ci | −164.1 (4) | C216—C211—C212—C213 | −0.6 (4) |
P2—Ag—N—Ci | 74.1 (5) | P2—C211—C212—C213 | 177.0 (2) |
S—Ag—N—Ci | −42.1 (5) | C211—C212—C213—C214 | −0.6 (4) |
Ni—C—S—Ag | 4E1 (3) | C212—C213—C214—F21 | −177.9 (2) |
N—Ag—S—C | 17.88 (11) | C212—C213—C214—C215 | 1.6 (4) |
P1—Ag—S—C | 132.59 (9) | F21—C214—C215—C216 | 178.1 (2) |
P2—Ag—S—C | −81.43 (9) | C213—C214—C215—C216 | −1.4 (4) |
C131—P1—C111—C112 | −150.2 (2) | C214—C215—C216—C211 | 0.1 (4) |
C121—P1—C111—C112 | 102.2 (2) | C212—C211—C216—C215 | 0.9 (4) |
Ag—P1—C111—C112 | −25.5 (2) | P2—C211—C216—C215 | −176.52 (19) |
C131—P1—C111—C116 | 27.6 (2) | C231—P2—C221—C226 | −100.3 (2) |
C121—P1—C111—C116 | −80.1 (2) | C211—P2—C221—C226 | 150.8 (2) |
Ag—P1—C111—C116 | 152.21 (18) | Ag—P2—C221—C226 | 27.5 (2) |
C116—C111—C112—C113 | 1.7 (4) | C231—P2—C221—C222 | 79.6 (2) |
P1—C111—C112—C113 | 179.43 (19) | C211—P2—C221—C222 | −29.4 (2) |
C111—C112—C113—C114 | −1.2 (4) | Ag—P2—C221—C222 | −152.67 (18) |
C112—C113—C114—F11 | −178.8 (2) | C226—C221—C222—C223 | 1.4 (4) |
C112—C113—C114—C115 | 0.6 (4) | P2—C221—C222—C223 | −178.4 (2) |
F11—C114—C115—C116 | 178.9 (2) | C221—C222—C223—C224 | 0.1 (4) |
C113—C114—C115—C116 | −0.4 (4) | C222—C223—C224—F22 | 179.5 (2) |
C114—C115—C116—C111 | 0.8 (4) | C222—C223—C224—C225 | −1.6 (4) |
C112—C111—C116—C115 | −1.5 (4) | F22—C224—C225—C226 | −179.5 (2) |
P1—C111—C116—C115 | −179.2 (2) | C223—C224—C225—C226 | 1.6 (4) |
C111—P1—C121—C126 | −167.71 (19) | C222—C221—C226—C225 | −1.5 (4) |
C131—P1—C121—C126 | 85.0 (2) | P2—C221—C226—C225 | 178.4 (2) |
Ag—P1—C121—C126 | −34.3 (2) | C224—C225—C226—C221 | 0.0 (4) |
C111—P1—C121—C122 | 11.6 (3) | C221—P2—C231—C236 | 134.7 (2) |
C131—P1—C121—C122 | −95.7 (2) | C211—P2—C231—C236 | −120.6 (2) |
Ag—P1—C121—C122 | 145.0 (2) | Ag—P2—C231—C236 | 2.7 (2) |
C126—C121—C122—C123 | −0.8 (4) | C221—P2—C231—C232 | −44.5 (2) |
P1—C121—C122—C123 | 179.9 (2) | C211—P2—C231—C232 | 60.1 (2) |
C121—C122—C123—C124 | 0.1 (4) | Ag—P2—C231—C232 | −176.54 (18) |
C122—C123—C124—F12 | 178.8 (2) | C236—C231—C232—C233 | 2.2 (4) |
C122—C123—C124—C125 | −0.3 (4) | P2—C231—C232—C233 | −178.5 (2) |
F12—C124—C125—C126 | −177.9 (2) | C231—C232—C233—C234 | −1.3 (4) |
C123—C124—C125—C126 | 1.2 (4) | C232—C233—C234—F23 | 179.7 (2) |
C124—C125—C126—C121 | −1.9 (4) | C232—C233—C234—C235 | −1.2 (4) |
C122—C121—C126—C125 | 1.7 (4) | F23—C234—C235—C236 | −178.2 (2) |
P1—C121—C126—C125 | −178.9 (2) | C233—C234—C235—C236 | 2.6 (4) |
C111—P1—C131—C132 | −104.5 (2) | C234—C235—C236—C231 | −1.6 (4) |
C121—P1—C131—C132 | 5.3 (2) | C232—C231—C236—C235 | −0.7 (4) |
Ag—P1—C131—C132 | 124.6 (2) | P2—C231—C236—C235 | 180.0 (2) |
C111—P1—C131—C136 | 79.6 (2) | | |
Symmetry code: (i) −x, −y+1, −z. |
Hydrogen-bond geometry (Å, º) top
D—H···A | D—H | H···A | D···A | D—H···A |
C215—H215···F23ii | 0.95 | 2.51 | 3.448 (3) | 168 |
C216—H216···F22iii | 0.95 | 2.51 | 3.275 (3) | 138 |
C222—H222···F11iv | 0.95 | 2.43 | 3.213 (3) | 140 |
Symmetry codes: (ii) −x−1/2, y−1/2, −z+1/2; (iii) x−1, y, z; (iv) x−1/2, −y+1/2, z+1/2. |
Crystal data top
C74H48Ag2F12N2P4S2 | F(000) = 4800 |
Mr = 1596.88 | Dx = 1.6 Mg m−3 |
Monoclinic, P21/c | Mo Kα radiation, λ = 0.71073 Å |
a = 18.5885 (15) Å | Cell parameters from 152504 reflections |
b = 14.0668 (12) Å | θ = 1.1–28.4° |
c = 38.275 (3) Å | µ = 0.83 mm−1 |
β = 96.551 (4)° | T = 100 K |
V = 9942.9 (14) Å3 | Rhombohedral, colourless |
Z = 6 | 0.4 × 0.36 × 0.32 mm |
Data collection top
Bruker SMART CCD area detector diffractometer | 21855 reflections with I > 2σ(I) |
π and ω scans | Rint = 0.032 |
Absorption correction: multi-scan | θmax = 28.4°, θmin = 1.1° |
Tmin = 0.732, Tmax = 0.776 | h = −24→24 |
149189 measured reflections | k = −18→18 |
24770 independent reflections | l = −51→51 |
Refinement top
Refinement on F2 | 0 restraints |
Least-squares matrix: full | H-atom parameters constrained |
R[F2 > 2σ(F2)] = 0.026 | w = 1/[σ2(Fo2) + (0.0334P)2 + 4.3254P] where P = (Fo2 + 2Fc2)/3 |
wR(F2) = 0.071 | (Δ/σ)max = 0.027 |
S = 1.09 | Δρmax = 0.47 e Å−3 |
24770 reflections | Δρmin = −0.77 e Å−3 |
1297 parameters | |
Special details top
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. |
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top | x | y | z | Uiso*/Ueq | |
Ag1 | 0.433114 (6) | 0.664920 (8) | 0.333619 (3) | 0.01445 (3) | |
Ag2 | 0.237804 (6) | 0.356872 (9) | 0.336296 (3) | 0.01486 (3) | |
Ag3 | 0.096687 (6) | 0.840443 (8) | 0.505887 (3) | 0.01478 (3) | |
P1 | 0.46137 (2) | 0.78882 (3) | 0.292562 (10) | 0.01229 (8) | |
P2 | 0.53048 (2) | 0.60236 (3) | 0.377513 (11) | 0.01551 (8) | |
P3 | 0.21740 (2) | 0.22446 (3) | 0.375502 (10) | 0.01259 (8) | |
P4 | 0.13598 (2) | 0.41292 (3) | 0.293281 (11) | 0.01610 (8) | |
P5 | 0.12347 (2) | 0.71866 (3) | 0.463342 (10) | 0.01276 (8) | |
P6 | 0.19458 (2) | 0.89905 (3) | 0.550523 (11) | 0.01511 (8) | |
S1 | 0.31503 (2) | 0.69372 (3) | 0.360798 (12) | 0.02198 (9) | |
C1 | 0.28209 (9) | 0.58440 (12) | 0.36163 (4) | 0.0160 (3) | |
N1 | 0.25862 (8) | 0.50838 (10) | 0.36293 (4) | 0.0192 (3) | |
S2 | 0.35258 (3) | 0.32939 (3) | 0.306647 (14) | 0.02534 (10) | |
C2 | 0.38427 (9) | 0.43900 (11) | 0.30682 (4) | 0.0162 (3) | |
N2 | 0.40729 (8) | 0.51571 (10) | 0.30649 (4) | 0.0208 (3) | |
S3 | −0.02731 (2) | 0.81760 (3) | 0.526840 (13) | 0.02286 (9) | |
C3 | −0.05822 (9) | 0.92780 (11) | 0.52323 (4) | 0.0157 (3) | |
N3 | 0.08072 (8) | 0.99506 (10) | 0.47906 (4) | 0.0199 (3) | |
C111 | 0.45149 (8) | 0.75268 (11) | 0.24656 (4) | 0.0146 (3) | |
C112 | 0.42134 (9) | 0.66374 (11) | 0.23796 (4) | 0.0176 (3) | |
H112 | 0.4093 | 0.6236 | 0.2557 | 0.021* | |
C113 | 0.40920 (9) | 0.63470 (12) | 0.20310 (5) | 0.0218 (4) | |
H113 | 0.3885 | 0.5758 | 0.1972 | 0.026* | |
C114 | 0.42850 (9) | 0.69498 (13) | 0.17755 (4) | 0.0224 (4) | |
C115 | 0.45830 (10) | 0.78353 (14) | 0.18482 (5) | 0.0241 (4) | |
H115 | 0.4708 | 0.8227 | 0.1669 | 0.029* | |
C116 | 0.46908 (9) | 0.81255 (12) | 0.21965 (4) | 0.0203 (3) | |
H116 | 0.4882 | 0.8725 | 0.2252 | 0.024* | |
C121 | 0.55482 (9) | 0.82959 (11) | 0.30185 (4) | 0.0149 (3) | |
C122 | 0.60947 (9) | 0.79548 (14) | 0.28330 (5) | 0.0252 (4) | |
H122 | 0.5975 | 0.7564 | 0.2639 | 0.03* | |
C123 | 0.68167 (10) | 0.81863 (16) | 0.29320 (5) | 0.0320 (5) | |
H123 | 0.718 | 0.7955 | 0.2807 | 0.038* | |
C124 | 0.69790 (9) | 0.87650 (14) | 0.32194 (5) | 0.0253 (4) | |
C125 | 0.64582 (9) | 0.91180 (12) | 0.34115 (4) | 0.0203 (3) | |
H125 | 0.6584 | 0.9507 | 0.3605 | 0.024* | |
C126 | 0.57388 (9) | 0.88797 (11) | 0.33096 (4) | 0.0167 (3) | |
H126 | 0.538 | 0.9112 | 0.3437 | 0.02* | |
C131 | 0.40654 (8) | 0.89673 (11) | 0.29097 (4) | 0.0132 (3) | |
C132 | 0.43346 (9) | 0.98792 (11) | 0.28646 (4) | 0.0170 (3) | |
H132 | 0.4826 | 0.9962 | 0.2847 | 0.02* | |
C133 | 0.38796 (9) | 1.06644 (11) | 0.28453 (4) | 0.0196 (3) | |
H133 | 0.4061 | 1.1274 | 0.2821 | 0.024* | |
C134 | 0.31513 (9) | 1.05153 (12) | 0.28630 (4) | 0.0188 (3) | |
C135 | 0.28607 (9) | 0.96258 (12) | 0.29026 (4) | 0.0193 (3) | |
H135 | 0.2366 | 0.9546 | 0.291 | 0.023* | |
C136 | 0.33269 (9) | 0.88532 (11) | 0.29316 (4) | 0.0165 (3) | |
H136 | 0.3144 | 0.8249 | 0.2966 | 0.02* | |
C211 | 0.51215 (9) | 0.48482 (11) | 0.39424 (4) | 0.0163 (3) | |
C212 | 0.44173 (10) | 0.46387 (13) | 0.40055 (5) | 0.0256 (4) | |
H212 | 0.4054 | 0.5088 | 0.3954 | 0.031* | |
C213 | 0.42529 (11) | 0.37662 (15) | 0.41438 (6) | 0.0338 (5) | |
H213 | 0.3783 | 0.3624 | 0.4187 | 0.041* | |
C214 | 0.47993 (11) | 0.31161 (13) | 0.42153 (5) | 0.0298 (4) | |
C215 | 0.54983 (11) | 0.32879 (13) | 0.41542 (5) | 0.0269 (4) | |
H215 | 0.5856 | 0.283 | 0.4203 | 0.032* | |
C216 | 0.56578 (10) | 0.41654 (12) | 0.40164 (5) | 0.0215 (4) | |
H216 | 0.613 | 0.4298 | 0.3973 | 0.026* | |
C221 | 0.61302 (9) | 0.58272 (12) | 0.35694 (5) | 0.0191 (3) | |
C222 | 0.68246 (10) | 0.60443 (13) | 0.37212 (5) | 0.0261 (4) | |
H222 | 0.6891 | 0.6315 | 0.3944 | 0.031* | |
C223 | 0.74226 (10) | 0.58608 (14) | 0.35433 (6) | 0.0320 (5) | |
H223 | 0.7888 | 0.602 | 0.3641 | 0.038* | |
C224 | 0.73040 (10) | 0.54372 (14) | 0.32186 (5) | 0.0279 (4) | |
C225 | 0.66288 (10) | 0.51912 (14) | 0.30620 (5) | 0.0267 (4) | |
H225 | 0.657 | 0.4888 | 0.2845 | 0.032* | |
C226 | 0.60390 (10) | 0.54065 (13) | 0.32367 (5) | 0.0235 (4) | |
H226 | 0.5575 | 0.5269 | 0.3131 | 0.028* | |
C231 | 0.55695 (9) | 0.67034 (12) | 0.41741 (5) | 0.0177 (3) | |
C232 | 0.56587 (11) | 0.63024 (13) | 0.45068 (5) | 0.0278 (4) | |
H232 | 0.5612 | 0.5648 | 0.4532 | 0.033* | |
C233 | 0.58172 (12) | 0.68724 (15) | 0.48035 (5) | 0.0344 (5) | |
H233 | 0.5873 | 0.6606 | 0.5027 | 0.041* | |
C234 | 0.58885 (10) | 0.78298 (14) | 0.47595 (5) | 0.0288 (4) | |
C235 | 0.57930 (11) | 0.82566 (13) | 0.44359 (6) | 0.0298 (4) | |
H235 | 0.5837 | 0.8912 | 0.4414 | 0.036* | |
C236 | 0.56292 (10) | 0.76858 (13) | 0.41436 (5) | 0.0261 (4) | |
H236 | 0.5557 | 0.7964 | 0.3922 | 0.031* | |
C311 | 0.22094 (8) | 0.25453 (11) | 0.42195 (4) | 0.0151 (3) | |
C312 | 0.21231 (9) | 0.18707 (12) | 0.44783 (4) | 0.0202 (3) | |
H312 | 0.203 | 0.1241 | 0.4414 | 0.024* | |
C313 | 0.21746 (10) | 0.21266 (13) | 0.48302 (5) | 0.0241 (4) | |
H313 | 0.211 | 0.1681 | 0.5003 | 0.029* | |
C314 | 0.23243 (10) | 0.30614 (14) | 0.49149 (5) | 0.0251 (4) | |
C315 | 0.24280 (10) | 0.37458 (13) | 0.46692 (5) | 0.0248 (4) | |
H315 | 0.2541 | 0.4368 | 0.4737 | 0.03* | |
C316 | 0.23595 (9) | 0.34841 (12) | 0.43178 (5) | 0.0195 (3) | |
H316 | 0.2414 | 0.3939 | 0.4146 | 0.023* | |
C321 | 0.27906 (9) | 0.12322 (11) | 0.37587 (4) | 0.0153 (3) | |
C322 | 0.25741 (10) | 0.02913 (12) | 0.38006 (4) | 0.0206 (3) | |
H322 | 0.209 | 0.0157 | 0.3819 | 0.025* | |
C323 | 0.30728 (11) | −0.04429 (13) | 0.38144 (5) | 0.0257 (4) | |
H323 | 0.2928 | −0.107 | 0.3838 | 0.031* | |
C324 | 0.37845 (11) | −0.02233 (13) | 0.37926 (5) | 0.0267 (4) | |
C325 | 0.40221 (10) | 0.06902 (14) | 0.37537 (5) | 0.0266 (4) | |
H325 | 0.451 | 0.0817 | 0.3742 | 0.032* | |
C326 | 0.35154 (9) | 0.14232 (13) | 0.37330 (5) | 0.0211 (4) | |
H326 | 0.3664 | 0.2046 | 0.3702 | 0.025* | |
C331 | 0.12785 (9) | 0.17386 (11) | 0.36369 (4) | 0.0152 (3) | |
C332 | 0.06966 (9) | 0.19320 (13) | 0.38252 (5) | 0.0236 (4) | |
H332 | 0.0776 | 0.2263 | 0.4036 | 0.028* | |
C333 | −0.00001 (10) | 0.16386 (15) | 0.37022 (5) | 0.0299 (4) | |
H333 | −0.0387 | 0.1767 | 0.3829 | 0.036* | |
C334 | −0.01025 (10) | 0.11536 (14) | 0.33888 (5) | 0.0255 (4) | |
C335 | 0.04522 (9) | 0.09402 (12) | 0.31951 (5) | 0.0214 (4) | |
H335 | 0.0366 | 0.0606 | 0.2985 | 0.026* | |
C336 | 0.11467 (9) | 0.12366 (12) | 0.33205 (4) | 0.0177 (3) | |
H336 | 0.153 | 0.1099 | 0.3192 | 0.021* | |
C411 | 0.14409 (9) | 0.53502 (12) | 0.27813 (4) | 0.0176 (3) | |
C412 | 0.21203 (9) | 0.56763 (13) | 0.27152 (5) | 0.0220 (4) | |
H412 | 0.2517 | 0.527 | 0.2747 | 0.026* | |
C413 | 0.22091 (10) | 0.66015 (13) | 0.26021 (5) | 0.0250 (4) | |
H413 | 0.266 | 0.6818 | 0.2554 | 0.03* | |
C414 | 0.16153 (10) | 0.71926 (12) | 0.25631 (4) | 0.0229 (4) | |
C415 | 0.09342 (10) | 0.68972 (13) | 0.26249 (4) | 0.0232 (4) | |
H415 | 0.0541 | 0.731 | 0.2594 | 0.028* | |
C416 | 0.08506 (9) | 0.59667 (12) | 0.27340 (4) | 0.0205 (3) | |
H416 | 0.0395 | 0.5752 | 0.2776 | 0.025* | |
C421 | 0.11226 (9) | 0.34678 (12) | 0.25267 (4) | 0.0183 (3) | |
C422 | 0.08335 (10) | 0.38922 (14) | 0.22147 (5) | 0.0284 (4) | |
H422 | 0.0737 | 0.4541 | 0.221 | 0.034* | |
C423 | 0.06877 (11) | 0.33571 (15) | 0.19102 (5) | 0.0337 (5) | |
H423 | 0.0496 | 0.3642 | 0.1701 | 0.04* | |
C424 | 0.08297 (11) | 0.24110 (15) | 0.19232 (5) | 0.0318 (4) | |
C425 | 0.11220 (12) | 0.19582 (15) | 0.22240 (6) | 0.0347 (5) | |
H425 | 0.1215 | 0.1309 | 0.2225 | 0.042* | |
C426 | 0.12737 (11) | 0.25012 (13) | 0.25260 (5) | 0.0285 (4) | |
H426 | 0.148 | 0.2212 | 0.2732 | 0.034* | |
C431 | 0.05404 (9) | 0.41934 (12) | 0.31507 (4) | 0.0177 (3) | |
C432 | −0.01169 (10) | 0.37877 (15) | 0.30293 (6) | 0.0337 (5) | |
H432 | −0.0161 | 0.3444 | 0.282 | 0.04* | |
C433 | −0.07141 (11) | 0.38853 (17) | 0.32144 (6) | 0.0404 (5) | |
H433 | −0.1155 | 0.3605 | 0.3134 | 0.048* | |
C434 | −0.06356 (10) | 0.44046 (15) | 0.35183 (5) | 0.0272 (4) | |
C435 | 0.00016 (10) | 0.48380 (14) | 0.36441 (5) | 0.0269 (4) | |
H435 | 0.0034 | 0.521 | 0.3846 | 0.032* | |
C436 | 0.05943 (10) | 0.47078 (14) | 0.34624 (5) | 0.0254 (4) | |
H436 | 0.1038 | 0.4969 | 0.355 | 0.03* | |
C511 | 0.21516 (9) | 0.67190 (11) | 0.47318 (4) | 0.0157 (3) | |
C512 | 0.27029 (9) | 0.69043 (13) | 0.45243 (5) | 0.0224 (4) | |
H512 | 0.2599 | 0.724 | 0.4315 | 0.027* | |
C513 | 0.34085 (10) | 0.65959 (14) | 0.46243 (5) | 0.0273 (4) | |
H513 | 0.3776 | 0.6722 | 0.4485 | 0.033* | |
C514 | 0.35479 (10) | 0.61007 (13) | 0.49339 (5) | 0.0241 (4) | |
C515 | 0.30217 (10) | 0.59013 (12) | 0.51482 (5) | 0.0217 (4) | |
H515 | 0.3132 | 0.5563 | 0.5356 | 0.026* | |
C516 | 0.23205 (9) | 0.62182 (12) | 0.50462 (4) | 0.0178 (3) | |
H516 | 0.1959 | 0.6095 | 0.5189 | 0.021* | |
C521 | 0.06568 (9) | 0.61310 (11) | 0.45969 (4) | 0.0150 (3) | |
C522 | 0.09175 (10) | 0.52144 (12) | 0.45504 (4) | 0.0206 (3) | |
H522 | 0.1409 | 0.5121 | 0.4537 | 0.025* | |
C523 | 0.04495 (10) | 0.44384 (12) | 0.45233 (5) | 0.0243 (4) | |
H523 | 0.0623 | 0.3825 | 0.4497 | 0.029* | |
C524 | −0.02762 (10) | 0.46027 (12) | 0.45359 (4) | 0.0222 (4) | |
C525 | −0.05572 (10) | 0.54949 (13) | 0.45749 (4) | 0.0219 (4) | |
H525 | −0.1052 | 0.5584 | 0.4578 | 0.026* | |
C526 | −0.00824 (9) | 0.62620 (12) | 0.46099 (4) | 0.0191 (3) | |
H526 | −0.0261 | 0.687 | 0.4642 | 0.023* | |
C531 | 0.11910 (8) | 0.75983 (11) | 0.41806 (4) | 0.0145 (3) | |
C532 | 0.13101 (9) | 0.69923 (12) | 0.39041 (4) | 0.0198 (3) | |
H532 | 0.141 | 0.6353 | 0.3949 | 0.024* | |
C533 | 0.12804 (10) | 0.73337 (13) | 0.35636 (4) | 0.0226 (4) | |
H533 | 0.1368 | 0.6935 | 0.3379 | 0.027* | |
C534 | 0.11184 (10) | 0.82782 (13) | 0.35059 (4) | 0.0214 (4) | |
C535 | 0.09748 (9) | 0.88927 (12) | 0.37681 (4) | 0.0206 (3) | |
H535 | 0.0851 | 0.9523 | 0.3718 | 0.025* | |
C536 | 0.10195 (9) | 0.85461 (11) | 0.41093 (4) | 0.0174 (3) | |
H536 | 0.0934 | 0.8951 | 0.4292 | 0.021* | |
C611 | 0.27789 (9) | 0.90912 (12) | 0.52990 (4) | 0.0183 (3) | |
C612 | 0.26963 (10) | 0.93692 (14) | 0.49469 (5) | 0.0275 (4) | |
H612 | 0.2234 | 0.9475 | 0.4833 | 0.033* | |
C613 | 0.32919 (11) | 0.94899 (16) | 0.47654 (5) | 0.0326 (5) | |
H613 | 0.3237 | 0.9688 | 0.4532 | 0.039* | |
C614 | 0.39646 (11) | 0.93107 (14) | 0.49381 (6) | 0.0314 (4) | |
C615 | 0.40779 (10) | 0.90430 (14) | 0.52831 (6) | 0.0318 (4) | |
H615 | 0.4543 | 0.8934 | 0.5393 | 0.038* | |
C616 | 0.34756 (10) | 0.89379 (13) | 0.54661 (5) | 0.0250 (4) | |
H616 | 0.3539 | 0.8764 | 0.5702 | 0.03* | |
C621 | 0.21997 (9) | 0.83936 (11) | 0.59248 (4) | 0.0167 (3) | |
C622 | 0.23845 (10) | 0.74320 (12) | 0.59262 (5) | 0.0239 (4) | |
H622 | 0.2404 | 0.7119 | 0.5713 | 0.029* | |
C623 | 0.25402 (10) | 0.69337 (13) | 0.62379 (5) | 0.0271 (4) | |
H623 | 0.2667 | 0.6294 | 0.6237 | 0.033* | |
C624 | 0.25009 (9) | 0.74138 (13) | 0.65484 (5) | 0.0230 (4) | |
C625 | 0.23177 (10) | 0.83502 (14) | 0.65606 (5) | 0.0252 (4) | |
H625 | 0.2293 | 0.8652 | 0.6775 | 0.03* | |
C626 | 0.21677 (9) | 0.88474 (12) | 0.62455 (4) | 0.0211 (4) | |
H626 | 0.2045 | 0.9488 | 0.625 | 0.025* | |
C631 | 0.17869 (9) | 1.02058 (11) | 0.56399 (4) | 0.0168 (3) | |
C632 | 0.23525 (10) | 1.08493 (12) | 0.57168 (5) | 0.0223 (4) | |
H632 | 0.2825 | 1.0662 | 0.5694 | 0.027* | |
C633 | 0.22209 (11) | 1.17639 (13) | 0.58273 (5) | 0.0274 (4) | |
H633 | 0.2598 | 1.2193 | 0.588 | 0.033* | |
C634 | 0.15193 (11) | 1.20193 (13) | 0.58571 (5) | 0.0270 (4) | |
C635 | 0.09430 (10) | 1.14101 (14) | 0.57856 (5) | 0.0280 (4) | |
H635 | 0.0474 | 1.1605 | 0.5811 | 0.034* | |
C636 | 0.10824 (10) | 1.04942 (13) | 0.56740 (5) | 0.0230 (4) | |
H636 | 0.0701 | 1.0071 | 0.5622 | 0.028* | |
F12 | 0.76793 (6) | 0.90062 (10) | 0.33156 (3) | 0.0390 (3) | |
F13 | 0.26991 (6) | 1.12762 (7) | 0.28392 (3) | 0.0265 (2) | |
F16 | 0.41845 (6) | 0.66524 (8) | 0.14360 (3) | 0.0322 (3) | |
F21 | 0.46341 (7) | 0.22628 (9) | 0.43490 (4) | 0.0492 (4) | |
F22 | 0.78830 (6) | 0.52456 (9) | 0.30436 (3) | 0.0387 (3) | |
F23 | 0.60406 (7) | 0.83855 (9) | 0.50465 (3) | 0.0425 (3) | |
F31 | 0.23722 (7) | 0.33293 (9) | 0.52580 (3) | 0.0382 (3) | |
F32 | 0.42758 (7) | −0.09424 (9) | 0.38095 (3) | 0.0384 (3) | |
F33 | −0.07822 (6) | 0.08661 (10) | 0.32653 (3) | 0.0392 (3) | |
F41 | 0.17053 (6) | 0.81066 (7) | 0.24659 (3) | 0.0313 (3) | |
F42 | 0.06884 (8) | 0.18885 (11) | 0.16266 (3) | 0.0503 (4) | |
F43 | −0.12149 (6) | 0.45120 (10) | 0.37005 (3) | 0.0401 (3) | |
F51 | 0.42312 (6) | 0.57855 (9) | 0.50316 (3) | 0.0352 (3) | |
F52 | −0.07362 (6) | 0.38494 (8) | 0.45069 (3) | 0.0308 (3) | |
F53 | 0.11009 (7) | 0.86261 (8) | 0.31736 (3) | 0.0316 (3) | |
F61 | 0.45458 (7) | 0.94065 (10) | 0.47560 (4) | 0.0460 (3) | |
F62 | 0.26432 (6) | 0.69288 (8) | 0.68540 (3) | 0.0337 (3) | |
F63 | 0.13851 (7) | 1.29218 (8) | 0.59570 (3) | 0.0413 (3) | |
Atomic displacement parameters (Å2) top | U11 | U22 | U33 | U12 | U13 | U23 |
Ag1 | 0.01460 (6) | 0.01231 (6) | 0.01667 (6) | −0.00040 (4) | 0.00279 (5) | 0.00305 (4) |
Ag2 | 0.01311 (6) | 0.01378 (6) | 0.01769 (6) | −0.00073 (4) | 0.00167 (5) | 0.00338 (4) |
Ag3 | 0.01494 (6) | 0.01343 (6) | 0.01615 (6) | 0.00030 (4) | 0.00256 (5) | −0.00313 (4) |
P1 | 0.01301 (18) | 0.01090 (18) | 0.01331 (18) | −0.00047 (14) | 0.00304 (15) | 0.00093 (14) |
P2 | 0.01470 (19) | 0.01461 (19) | 0.0171 (2) | 0.00100 (15) | 0.00134 (16) | 0.00256 (15) |
P3 | 0.01280 (18) | 0.01169 (18) | 0.01362 (18) | −0.00038 (15) | 0.00300 (15) | 0.00045 (14) |
P4 | 0.01415 (19) | 0.0167 (2) | 0.0171 (2) | 0.00078 (15) | −0.00002 (16) | 0.00307 (16) |
P5 | 0.01423 (19) | 0.01151 (18) | 0.01276 (18) | 0.00038 (15) | 0.00244 (15) | −0.00116 (14) |
P6 | 0.0154 (2) | 0.01504 (19) | 0.01484 (19) | −0.00076 (15) | 0.00147 (16) | −0.00228 (15) |
S1 | 0.0243 (2) | 0.01229 (18) | 0.0324 (2) | −0.00140 (16) | 0.01655 (19) | −0.00164 (17) |
C1 | 0.0145 (7) | 0.0182 (8) | 0.0159 (8) | 0.0026 (6) | 0.0049 (6) | −0.0001 (6) |
N1 | 0.0188 (7) | 0.0160 (7) | 0.0233 (7) | −0.0005 (6) | 0.0040 (6) | −0.0001 (6) |
S2 | 0.0276 (2) | 0.01234 (19) | 0.0401 (3) | −0.00399 (17) | 0.0213 (2) | −0.00492 (18) |
C2 | 0.0170 (8) | 0.0164 (8) | 0.0164 (8) | 0.0013 (6) | 0.0069 (6) | −0.0006 (6) |
N2 | 0.0227 (7) | 0.0166 (7) | 0.0239 (8) | −0.0014 (6) | 0.0058 (6) | −0.0007 (6) |
S3 | 0.0236 (2) | 0.01276 (19) | 0.0353 (2) | 0.00249 (16) | 0.01689 (19) | 0.00378 (17) |
C3 | 0.0157 (8) | 0.0174 (8) | 0.0149 (7) | −0.0023 (6) | 0.0056 (6) | −0.0017 (6) |
N3 | 0.0206 (7) | 0.0180 (7) | 0.0219 (7) | 0.0003 (6) | 0.0049 (6) | −0.0009 (6) |
C111 | 0.0134 (7) | 0.0158 (7) | 0.0149 (7) | 0.0022 (6) | 0.0026 (6) | −0.0009 (6) |
C112 | 0.0173 (8) | 0.0153 (8) | 0.0199 (8) | 0.0024 (6) | 0.0015 (7) | −0.0005 (6) |
C113 | 0.0229 (9) | 0.0181 (8) | 0.0238 (9) | 0.0023 (7) | −0.0005 (7) | −0.0059 (7) |
C114 | 0.0207 (9) | 0.0305 (10) | 0.0156 (8) | 0.0074 (7) | 0.0011 (7) | −0.0064 (7) |
C115 | 0.0251 (9) | 0.0313 (10) | 0.0163 (8) | −0.0012 (8) | 0.0046 (7) | 0.0026 (7) |
C116 | 0.0209 (8) | 0.0207 (8) | 0.0194 (8) | −0.0031 (7) | 0.0032 (7) | 0.0002 (7) |
C121 | 0.0154 (8) | 0.0139 (7) | 0.0154 (7) | −0.0004 (6) | 0.0024 (6) | 0.0027 (6) |
C122 | 0.0184 (8) | 0.0330 (10) | 0.0248 (9) | −0.0021 (7) | 0.0052 (7) | −0.0100 (8) |
C123 | 0.0167 (9) | 0.0483 (12) | 0.0321 (11) | 0.0006 (8) | 0.0082 (8) | −0.0110 (9) |
C124 | 0.0126 (8) | 0.0333 (10) | 0.0291 (10) | −0.0042 (7) | −0.0012 (7) | 0.0002 (8) |
C125 | 0.0210 (8) | 0.0207 (8) | 0.0184 (8) | −0.0016 (7) | −0.0008 (7) | 0.0008 (6) |
C126 | 0.0172 (8) | 0.0155 (8) | 0.0174 (8) | 0.0007 (6) | 0.0026 (6) | 0.0012 (6) |
C131 | 0.0163 (7) | 0.0121 (7) | 0.0110 (7) | 0.0005 (6) | 0.0006 (6) | 0.0000 (5) |
C132 | 0.0155 (8) | 0.0164 (8) | 0.0192 (8) | −0.0020 (6) | 0.0027 (6) | 0.0014 (6) |
C133 | 0.0257 (9) | 0.0119 (7) | 0.0209 (8) | −0.0009 (6) | 0.0016 (7) | 0.0025 (6) |
C134 | 0.0220 (8) | 0.0173 (8) | 0.0166 (8) | 0.0074 (7) | 0.0001 (7) | −0.0012 (6) |
C135 | 0.0158 (8) | 0.0205 (8) | 0.0219 (8) | 0.0016 (6) | 0.0032 (7) | −0.0008 (7) |
C136 | 0.0171 (8) | 0.0153 (8) | 0.0175 (8) | −0.0007 (6) | 0.0035 (6) | −0.0002 (6) |
C211 | 0.0187 (8) | 0.0149 (7) | 0.0148 (7) | −0.0001 (6) | 0.0003 (6) | 0.0014 (6) |
C212 | 0.0179 (8) | 0.0250 (9) | 0.0330 (10) | 0.0012 (7) | −0.0013 (7) | 0.0098 (8) |
C213 | 0.0211 (9) | 0.0352 (11) | 0.0434 (12) | −0.0081 (8) | −0.0031 (9) | 0.0173 (9) |
C214 | 0.0345 (11) | 0.0191 (9) | 0.0326 (10) | −0.0084 (8) | −0.0104 (9) | 0.0106 (8) |
C215 | 0.0333 (10) | 0.0181 (8) | 0.0277 (10) | 0.0056 (7) | −0.0036 (8) | 0.0021 (7) |
C216 | 0.0217 (9) | 0.0197 (8) | 0.0228 (9) | 0.0033 (7) | 0.0018 (7) | 0.0018 (7) |
C221 | 0.0167 (8) | 0.0162 (8) | 0.0247 (9) | −0.0001 (6) | 0.0035 (7) | 0.0035 (6) |
C222 | 0.0196 (9) | 0.0228 (9) | 0.0360 (10) | −0.0021 (7) | 0.0030 (8) | −0.0087 (8) |
C223 | 0.0176 (9) | 0.0306 (10) | 0.0487 (13) | −0.0058 (8) | 0.0079 (9) | −0.0080 (9) |
C224 | 0.0236 (9) | 0.0252 (9) | 0.0378 (11) | 0.0010 (7) | 0.0162 (8) | 0.0051 (8) |
C225 | 0.0263 (9) | 0.0339 (10) | 0.0207 (9) | 0.0037 (8) | 0.0064 (7) | 0.0045 (8) |
C226 | 0.0195 (9) | 0.0311 (10) | 0.0198 (8) | 0.0013 (7) | 0.0022 (7) | 0.0028 (7) |
C231 | 0.0144 (8) | 0.0166 (8) | 0.0220 (8) | 0.0015 (6) | 0.0016 (6) | −0.0012 (6) |
C232 | 0.0383 (11) | 0.0188 (9) | 0.0238 (9) | 0.0028 (8) | −0.0070 (8) | 0.0009 (7) |
C233 | 0.0463 (13) | 0.0302 (10) | 0.0230 (10) | 0.0045 (9) | −0.0112 (9) | −0.0018 (8) |
C234 | 0.0227 (9) | 0.0299 (10) | 0.0327 (10) | 0.0002 (8) | −0.0011 (8) | −0.0147 (8) |
C235 | 0.0340 (11) | 0.0177 (9) | 0.0406 (11) | −0.0040 (8) | 0.0165 (9) | −0.0063 (8) |
C236 | 0.0342 (10) | 0.0191 (9) | 0.0273 (10) | −0.0008 (7) | 0.0135 (8) | 0.0010 (7) |
C311 | 0.0114 (7) | 0.0177 (8) | 0.0166 (7) | 0.0000 (6) | 0.0028 (6) | −0.0013 (6) |
C312 | 0.0241 (9) | 0.0187 (8) | 0.0183 (8) | −0.0034 (7) | 0.0045 (7) | −0.0005 (6) |
C313 | 0.0272 (9) | 0.0290 (10) | 0.0168 (8) | −0.0031 (8) | 0.0051 (7) | 0.0019 (7) |
C314 | 0.0262 (9) | 0.0330 (10) | 0.0161 (8) | 0.0027 (8) | 0.0030 (7) | −0.0085 (7) |
C315 | 0.0299 (10) | 0.0193 (9) | 0.0250 (9) | 0.0022 (7) | 0.0018 (8) | −0.0068 (7) |
C316 | 0.0202 (8) | 0.0163 (8) | 0.0218 (8) | 0.0023 (6) | 0.0017 (7) | −0.0010 (6) |
C321 | 0.0186 (8) | 0.0154 (7) | 0.0120 (7) | 0.0035 (6) | 0.0025 (6) | −0.0010 (6) |
C322 | 0.0254 (9) | 0.0166 (8) | 0.0198 (8) | 0.0017 (7) | 0.0019 (7) | 0.0009 (6) |
C323 | 0.0378 (11) | 0.0179 (8) | 0.0208 (9) | 0.0067 (8) | 0.0003 (8) | −0.0008 (7) |
C324 | 0.0369 (11) | 0.0281 (10) | 0.0151 (8) | 0.0193 (8) | 0.0032 (8) | 0.0005 (7) |
C325 | 0.0202 (9) | 0.0362 (11) | 0.0242 (9) | 0.0106 (8) | 0.0055 (7) | 0.0031 (8) |
C326 | 0.0206 (8) | 0.0220 (8) | 0.0209 (8) | 0.0032 (7) | 0.0033 (7) | 0.0024 (7) |
C331 | 0.0149 (7) | 0.0142 (7) | 0.0167 (8) | −0.0020 (6) | 0.0024 (6) | 0.0014 (6) |
C332 | 0.0186 (8) | 0.0301 (10) | 0.0227 (9) | −0.0047 (7) | 0.0050 (7) | −0.0077 (7) |
C333 | 0.0178 (9) | 0.0409 (12) | 0.0320 (10) | −0.0059 (8) | 0.0079 (8) | −0.0100 (9) |
C334 | 0.0174 (8) | 0.0280 (10) | 0.0305 (10) | −0.0062 (7) | 0.0001 (7) | −0.0034 (8) |
C335 | 0.0225 (9) | 0.0218 (9) | 0.0191 (8) | −0.0028 (7) | −0.0010 (7) | −0.0034 (7) |
C336 | 0.0191 (8) | 0.0174 (8) | 0.0172 (8) | 0.0010 (6) | 0.0038 (6) | −0.0001 (6) |
C411 | 0.0189 (8) | 0.0180 (8) | 0.0151 (7) | −0.0002 (6) | −0.0014 (6) | 0.0023 (6) |
C412 | 0.0198 (8) | 0.0238 (9) | 0.0220 (9) | −0.0007 (7) | 0.0005 (7) | 0.0033 (7) |
C413 | 0.0253 (9) | 0.0276 (10) | 0.0217 (9) | −0.0061 (7) | 0.0014 (7) | 0.0031 (7) |
C414 | 0.0351 (10) | 0.0179 (8) | 0.0147 (8) | −0.0053 (7) | −0.0007 (7) | 0.0030 (6) |
C415 | 0.0279 (9) | 0.0211 (9) | 0.0201 (8) | 0.0052 (7) | 0.0001 (7) | 0.0049 (7) |
C416 | 0.0192 (8) | 0.0233 (9) | 0.0185 (8) | −0.0003 (7) | 0.0005 (7) | 0.0039 (7) |
C421 | 0.0148 (8) | 0.0204 (8) | 0.0200 (8) | 0.0011 (6) | 0.0027 (6) | 0.0005 (6) |
C422 | 0.0302 (10) | 0.0258 (9) | 0.0268 (10) | 0.0042 (8) | −0.0074 (8) | −0.0017 (8) |
C423 | 0.0329 (11) | 0.0413 (12) | 0.0243 (10) | 0.0006 (9) | −0.0083 (8) | −0.0040 (8) |
C424 | 0.0288 (10) | 0.0383 (11) | 0.0290 (10) | −0.0030 (9) | 0.0069 (8) | −0.0150 (9) |
C425 | 0.0437 (12) | 0.0250 (10) | 0.0374 (11) | 0.0069 (9) | 0.0133 (10) | −0.0083 (9) |
C426 | 0.0365 (11) | 0.0250 (9) | 0.0252 (9) | 0.0087 (8) | 0.0092 (8) | 0.0024 (7) |
C431 | 0.0166 (8) | 0.0176 (8) | 0.0188 (8) | 0.0011 (6) | 0.0013 (6) | 0.0036 (6) |
C432 | 0.0211 (9) | 0.0440 (12) | 0.0365 (11) | −0.0077 (9) | 0.0058 (8) | −0.0192 (9) |
C433 | 0.0206 (10) | 0.0589 (15) | 0.0425 (12) | −0.0125 (10) | 0.0070 (9) | −0.0201 (11) |
C434 | 0.0185 (9) | 0.0399 (11) | 0.0246 (9) | 0.0024 (8) | 0.0084 (7) | 0.0004 (8) |
C435 | 0.0304 (10) | 0.0353 (10) | 0.0154 (8) | −0.0028 (8) | 0.0044 (7) | −0.0012 (7) |
C436 | 0.0223 (9) | 0.0355 (10) | 0.0183 (8) | −0.0088 (8) | 0.0020 (7) | −0.0010 (7) |
C511 | 0.0173 (8) | 0.0136 (7) | 0.0160 (8) | −0.0001 (6) | 0.0015 (6) | −0.0031 (6) |
C512 | 0.0201 (9) | 0.0269 (9) | 0.0204 (8) | 0.0045 (7) | 0.0036 (7) | 0.0052 (7) |
C513 | 0.0190 (9) | 0.0360 (11) | 0.0279 (10) | 0.0053 (8) | 0.0069 (8) | 0.0065 (8) |
C514 | 0.0187 (8) | 0.0247 (9) | 0.0277 (9) | 0.0057 (7) | −0.0021 (7) | −0.0019 (7) |
C515 | 0.0252 (9) | 0.0192 (8) | 0.0195 (8) | 0.0022 (7) | −0.0029 (7) | 0.0007 (7) |
C516 | 0.0208 (8) | 0.0172 (8) | 0.0155 (8) | −0.0008 (6) | 0.0022 (6) | −0.0013 (6) |
C521 | 0.0208 (8) | 0.0136 (7) | 0.0107 (7) | −0.0020 (6) | 0.0022 (6) | −0.0006 (6) |
C522 | 0.0229 (9) | 0.0176 (8) | 0.0209 (8) | −0.0008 (7) | 0.0017 (7) | −0.0021 (6) |
C523 | 0.0336 (10) | 0.0146 (8) | 0.0238 (9) | −0.0028 (7) | −0.0003 (8) | −0.0007 (7) |
C524 | 0.0301 (10) | 0.0206 (8) | 0.0153 (8) | −0.0111 (7) | 0.0006 (7) | 0.0024 (6) |
C525 | 0.0192 (8) | 0.0271 (9) | 0.0198 (8) | −0.0050 (7) | 0.0041 (7) | 0.0000 (7) |
C526 | 0.0217 (8) | 0.0178 (8) | 0.0180 (8) | −0.0010 (7) | 0.0037 (7) | −0.0006 (6) |
C531 | 0.0139 (7) | 0.0164 (7) | 0.0132 (7) | −0.0010 (6) | 0.0012 (6) | 0.0016 (6) |
C532 | 0.0234 (9) | 0.0186 (8) | 0.0173 (8) | 0.0036 (7) | 0.0021 (7) | −0.0005 (6) |
C533 | 0.0253 (9) | 0.0279 (9) | 0.0149 (8) | 0.0041 (7) | 0.0036 (7) | −0.0023 (7) |
C534 | 0.0213 (9) | 0.0276 (9) | 0.0155 (8) | −0.0024 (7) | 0.0026 (7) | 0.0061 (7) |
C535 | 0.0234 (9) | 0.0163 (8) | 0.0219 (8) | −0.0006 (7) | 0.0025 (7) | 0.0035 (6) |
C536 | 0.0185 (8) | 0.0158 (8) | 0.0182 (8) | −0.0021 (6) | 0.0038 (6) | −0.0017 (6) |
C611 | 0.0177 (8) | 0.0154 (8) | 0.0224 (8) | −0.0012 (6) | 0.0046 (7) | −0.0023 (6) |
C612 | 0.0221 (9) | 0.0392 (11) | 0.0212 (9) | −0.0048 (8) | 0.0028 (7) | −0.0022 (8) |
C613 | 0.0302 (10) | 0.0460 (12) | 0.0228 (9) | −0.0059 (9) | 0.0090 (8) | −0.0030 (9) |
C614 | 0.0272 (10) | 0.0286 (10) | 0.0422 (12) | −0.0007 (8) | 0.0198 (9) | −0.0021 (9) |
C615 | 0.0185 (9) | 0.0300 (10) | 0.0480 (12) | 0.0058 (8) | 0.0077 (9) | 0.0105 (9) |
C616 | 0.0215 (9) | 0.0224 (9) | 0.0313 (10) | 0.0035 (7) | 0.0041 (8) | 0.0080 (7) |
C621 | 0.0145 (8) | 0.0175 (8) | 0.0180 (8) | −0.0027 (6) | 0.0018 (6) | −0.0004 (6) |
C622 | 0.0316 (10) | 0.0190 (8) | 0.0224 (9) | 0.0004 (7) | 0.0085 (8) | −0.0003 (7) |
C623 | 0.0317 (10) | 0.0192 (9) | 0.0319 (10) | 0.0033 (8) | 0.0101 (8) | 0.0050 (7) |
C624 | 0.0183 (8) | 0.0302 (10) | 0.0209 (8) | 0.0005 (7) | 0.0037 (7) | 0.0084 (7) |
C625 | 0.0260 (9) | 0.0326 (10) | 0.0166 (8) | 0.0021 (8) | 0.0007 (7) | −0.0013 (7) |
C626 | 0.0234 (9) | 0.0203 (8) | 0.0191 (8) | 0.0016 (7) | −0.0008 (7) | −0.0017 (7) |
C631 | 0.0196 (8) | 0.0166 (8) | 0.0136 (7) | 0.0008 (6) | −0.0001 (6) | −0.0010 (6) |
C632 | 0.0227 (9) | 0.0202 (8) | 0.0229 (9) | −0.0006 (7) | −0.0026 (7) | −0.0015 (7) |
C633 | 0.0333 (10) | 0.0187 (9) | 0.0281 (10) | −0.0037 (8) | −0.0061 (8) | −0.0031 (7) |
C634 | 0.0393 (11) | 0.0175 (8) | 0.0219 (9) | 0.0072 (8) | −0.0066 (8) | −0.0051 (7) |
C635 | 0.0241 (9) | 0.0289 (10) | 0.0304 (10) | 0.0094 (8) | −0.0002 (8) | −0.0074 (8) |
C636 | 0.0212 (9) | 0.0227 (9) | 0.0245 (9) | 0.0000 (7) | 0.0002 (7) | −0.0047 (7) |
F12 | 0.0139 (5) | 0.0583 (8) | 0.0439 (7) | −0.0075 (5) | −0.0014 (5) | −0.0121 (6) |
F13 | 0.0265 (6) | 0.0181 (5) | 0.0346 (6) | 0.0109 (4) | 0.0022 (5) | 0.0007 (4) |
F16 | 0.0370 (7) | 0.0432 (7) | 0.0160 (5) | 0.0031 (5) | 0.0006 (5) | −0.0105 (5) |
F21 | 0.0472 (8) | 0.0297 (7) | 0.0655 (9) | −0.0158 (6) | −0.0161 (7) | 0.0280 (6) |
F22 | 0.0255 (6) | 0.0460 (7) | 0.0490 (8) | 0.0004 (5) | 0.0230 (6) | 0.0022 (6) |
F23 | 0.0468 (8) | 0.0383 (7) | 0.0402 (7) | −0.0018 (6) | −0.0043 (6) | −0.0217 (6) |
F31 | 0.0537 (8) | 0.0444 (7) | 0.0169 (5) | −0.0012 (6) | 0.0051 (5) | −0.0113 (5) |
F32 | 0.0459 (7) | 0.0371 (7) | 0.0329 (6) | 0.0294 (6) | 0.0084 (5) | 0.0037 (5) |
F33 | 0.0166 (5) | 0.0555 (8) | 0.0446 (7) | −0.0115 (5) | −0.0001 (5) | −0.0180 (6) |
F41 | 0.0458 (7) | 0.0188 (5) | 0.0289 (6) | −0.0058 (5) | 0.0023 (5) | 0.0066 (4) |
F42 | 0.0576 (9) | 0.0544 (9) | 0.0386 (7) | −0.0029 (7) | 0.0051 (7) | −0.0277 (6) |
F43 | 0.0220 (6) | 0.0667 (9) | 0.0339 (7) | 0.0005 (6) | 0.0125 (5) | −0.0054 (6) |
F51 | 0.0184 (5) | 0.0466 (7) | 0.0392 (7) | 0.0116 (5) | −0.0029 (5) | 0.0083 (6) |
F52 | 0.0377 (6) | 0.0241 (6) | 0.0301 (6) | −0.0178 (5) | 0.0024 (5) | 0.0000 (5) |
F53 | 0.0464 (7) | 0.0337 (6) | 0.0155 (5) | 0.0016 (5) | 0.0065 (5) | 0.0083 (4) |
F61 | 0.0308 (7) | 0.0560 (8) | 0.0569 (8) | 0.0005 (6) | 0.0294 (6) | 0.0006 (7) |
F62 | 0.0367 (6) | 0.0384 (7) | 0.0267 (6) | 0.0068 (5) | 0.0069 (5) | 0.0153 (5) |
F63 | 0.0524 (8) | 0.0225 (6) | 0.0449 (7) | 0.0129 (5) | −0.0117 (6) | −0.0151 (5) |
Geometric parameters (Å, º) top
Ag1—N2 | 2.3665 (14) | C323—C324 | 1.370 (3) |
Ag1—P1 | 2.4437 (4) | C323—H323 | 0.93 |
Ag1—P2 | 2.4858 (5) | C324—F32 | 1.359 (2) |
Ag1—S1 | 2.5662 (5) | C324—C325 | 1.372 (3) |
Ag2—N1 | 2.3750 (14) | C325—C326 | 1.393 (2) |
Ag2—P3 | 2.4485 (4) | C325—H325 | 0.93 |
Ag2—P4 | 2.4907 (4) | C326—H326 | 0.93 |
Ag2—S2 | 2.5576 (5) | C331—C332 | 1.393 (2) |
Ag3—N3 | 2.4090 (15) | C331—C336 | 1.399 (2) |
Ag3—P5 | 2.4534 (4) | C332—C333 | 1.389 (2) |
Ag3—P6 | 2.4901 (4) | C332—H332 | 0.93 |
Ag3—S3 | 2.5457 (5) | C333—C334 | 1.374 (3) |
P1—C111 | 1.8217 (16) | C333—H333 | 0.93 |
P1—C121 | 1.8252 (17) | C334—F33 | 1.359 (2) |
P1—C131 | 1.8254 (16) | C334—C335 | 1.370 (3) |
P2—C211 | 1.8191 (17) | C335—C336 | 1.389 (2) |
P2—C231 | 1.8212 (17) | C335—H335 | 0.93 |
P2—C221 | 1.8237 (18) | C336—H336 | 0.93 |
P3—C331 | 1.8193 (16) | C411—C412 | 1.394 (2) |
P3—C311 | 1.8214 (16) | C411—C416 | 1.394 (2) |
P3—C321 | 1.8271 (16) | C412—C413 | 1.387 (2) |
P4—C431 | 1.8204 (17) | C412—H412 | 0.93 |
P4—C421 | 1.8219 (17) | C413—C414 | 1.376 (3) |
P4—C411 | 1.8246 (17) | C413—H413 | 0.93 |
P5—C531 | 1.8204 (16) | C414—F41 | 1.3543 (19) |
P5—C511 | 1.8256 (17) | C414—C415 | 1.378 (3) |
P5—C521 | 1.8287 (16) | C415—C416 | 1.388 (2) |
P6—C631 | 1.8194 (17) | C415—H415 | 0.93 |
P6—C611 | 1.8222 (17) | C416—H416 | 0.93 |
P6—C621 | 1.8257 (17) | C421—C422 | 1.388 (2) |
S1—C1 | 1.6567 (17) | C421—C426 | 1.388 (2) |
C1—N1 | 1.158 (2) | C422—C423 | 1.388 (3) |
S2—C2 | 1.6504 (17) | C422—H422 | 0.93 |
C2—N2 | 1.161 (2) | C423—C424 | 1.357 (3) |
S3—C3 | 1.6535 (17) | C423—H423 | 0.93 |
C3—N3i | 1.163 (2) | C424—F42 | 1.353 (2) |
N3—C3i | 1.163 (2) | C424—C425 | 1.372 (3) |
C111—C112 | 1.395 (2) | C425—C426 | 1.387 (3) |
C111—C116 | 1.398 (2) | C425—H425 | 0.93 |
C112—C113 | 1.389 (2) | C426—H426 | 0.93 |
C112—H112 | 0.93 | C431—C432 | 1.380 (2) |
C113—C114 | 1.372 (3) | C431—C436 | 1.389 (2) |
C113—H113 | 0.93 | C432—C433 | 1.390 (3) |
C114—F16 | 1.3577 (19) | C432—H432 | 0.93 |
C114—C115 | 1.379 (3) | C433—C434 | 1.367 (3) |
C115—C116 | 1.387 (2) | C433—H433 | 0.93 |
C115—H115 | 0.93 | C434—F43 | 1.356 (2) |
C116—H116 | 0.93 | C434—C435 | 1.370 (3) |
C121—C122 | 1.390 (2) | C435—C436 | 1.381 (3) |
C121—C126 | 1.397 (2) | C435—H435 | 0.93 |
C122—C123 | 1.391 (3) | C436—H436 | 0.93 |
C122—H122 | 0.93 | C511—C512 | 1.391 (2) |
C123—C124 | 1.374 (3) | C511—C516 | 1.399 (2) |
C123—H123 | 0.93 | C512—C513 | 1.393 (2) |
C124—F12 | 1.3551 (19) | C512—H512 | 0.93 |
C124—C125 | 1.374 (3) | C513—C514 | 1.374 (3) |
C125—C126 | 1.391 (2) | C513—H513 | 0.93 |
C125—H125 | 0.93 | C514—F51 | 1.357 (2) |
C126—H126 | 0.93 | C514—C515 | 1.375 (3) |
C131—C136 | 1.394 (2) | C515—C516 | 1.391 (2) |
C131—C132 | 1.395 (2) | C515—H515 | 0.93 |
C132—C133 | 1.388 (2) | C516—H516 | 0.93 |
C132—H132 | 0.93 | C521—C526 | 1.393 (2) |
C133—C134 | 1.379 (2) | C521—C522 | 1.396 (2) |
C133—H133 | 0.93 | C522—C523 | 1.392 (2) |
C134—F13 | 1.3575 (18) | C522—H522 | 0.93 |
C134—C135 | 1.378 (2) | C523—C524 | 1.375 (3) |
C135—C136 | 1.387 (2) | C523—H523 | 0.93 |
C135—H135 | 0.93 | C524—F52 | 1.3583 (19) |
C136—H136 | 0.93 | C524—C525 | 1.374 (3) |
C211—C212 | 1.390 (2) | C525—C526 | 1.391 (2) |
C211—C216 | 1.390 (2) | C525—H525 | 0.93 |
C212—C213 | 1.384 (3) | C526—H526 | 0.93 |
C212—H212 | 0.93 | C531—C536 | 1.391 (2) |
C213—C214 | 1.371 (3) | C531—C532 | 1.396 (2) |
C213—H213 | 0.93 | C532—C533 | 1.384 (2) |
C214—F21 | 1.354 (2) | C532—H532 | 0.93 |
C214—C215 | 1.368 (3) | C533—C534 | 1.375 (3) |
C215—C216 | 1.388 (2) | C533—H533 | 0.93 |
C215—H215 | 0.93 | C534—F53 | 1.3596 (19) |
C216—H216 | 0.93 | C534—C535 | 1.374 (2) |
C221—C222 | 1.388 (2) | C535—C536 | 1.387 (2) |
C221—C226 | 1.397 (2) | C535—H535 | 0.93 |
C222—C223 | 1.392 (3) | C536—H536 | 0.93 |
C222—H222 | 0.93 | C611—C616 | 1.394 (2) |
C223—C224 | 1.373 (3) | C611—C612 | 1.395 (2) |
C223—H223 | 0.93 | C612—C613 | 1.383 (3) |
C224—F22 | 1.358 (2) | C612—H612 | 0.93 |
C224—C225 | 1.372 (3) | C613—C614 | 1.369 (3) |
C225—C226 | 1.381 (3) | C613—H613 | 0.93 |
C225—H225 | 0.93 | C614—F61 | 1.357 (2) |
C226—H226 | 0.93 | C614—C615 | 1.366 (3) |
C231—C232 | 1.386 (2) | C615—C616 | 1.395 (3) |
C231—C236 | 1.392 (2) | C615—H615 | 0.93 |
C232—C233 | 1.394 (3) | C616—H616 | 0.93 |
C232—H232 | 0.93 | C621—C626 | 1.391 (2) |
C233—C234 | 1.366 (3) | C621—C622 | 1.395 (2) |
C233—H233 | 0.93 | C622—C623 | 1.386 (2) |
C234—F23 | 1.352 (2) | C622—H622 | 0.93 |
C234—C235 | 1.369 (3) | C623—C624 | 1.376 (3) |
C235—C236 | 1.383 (3) | C623—H623 | 0.93 |
C235—H235 | 0.93 | C624—F62 | 1.354 (2) |
C236—H236 | 0.93 | C624—C625 | 1.363 (3) |
C311—C316 | 1.393 (2) | C625—C626 | 1.394 (2) |
C311—C312 | 1.394 (2) | C625—H625 | 0.93 |
C312—C313 | 1.387 (2) | C626—H626 | 0.93 |
C312—H312 | 0.93 | C631—C636 | 1.391 (2) |
C313—C314 | 1.375 (3) | C631—C632 | 1.393 (2) |
C313—H313 | 0.93 | C632—C633 | 1.385 (2) |
C314—F31 | 1.3595 (19) | C632—H632 | 0.93 |
C314—C315 | 1.375 (3) | C633—C634 | 1.370 (3) |
C315—C316 | 1.386 (2) | C633—H633 | 0.93 |
C315—H315 | 0.93 | C634—F63 | 1.357 (2) |
C316—H316 | 0.93 | C634—C635 | 1.375 (3) |
C321—C326 | 1.388 (2) | C635—C636 | 1.391 (2) |
C321—C322 | 1.398 (2) | C635—H635 | 0.93 |
C322—C323 | 1.385 (2) | C636—H636 | 0.93 |
C322—H322 | 0.93 | | |
| | | |
N2—Ag1—P1 | 113.46 (4) | C321—C322—H322 | 119.7 |
N2—Ag1—P2 | 94.48 (4) | C324—C323—C322 | 118.44 (17) |
P1—Ag1—P2 | 119.589 (15) | C324—C323—H323 | 120.8 |
N2—Ag1—S1 | 100.24 (4) | C322—C323—H323 | 120.8 |
P1—Ag1—S1 | 113.870 (15) | F32—C324—C323 | 118.51 (18) |
P2—Ag1—S1 | 111.867 (16) | F32—C324—C325 | 118.64 (18) |
N1—Ag2—P3 | 116.66 (4) | C323—C324—C325 | 122.85 (17) |
N1—Ag2—P4 | 94.24 (4) | C324—C325—C326 | 118.39 (17) |
P3—Ag2—P4 | 119.127 (15) | C324—C325—H325 | 120.8 |
N1—Ag2—S2 | 102.87 (4) | C326—C325—H325 | 120.8 |
P3—Ag2—S2 | 110.631 (15) | C321—C326—C325 | 120.55 (17) |
P4—Ag2—S2 | 111.345 (17) | C321—C326—H326 | 119.7 |
N3—Ag3—P5 | 111.84 (4) | C325—C326—H326 | 119.7 |
N3—Ag3—P6 | 92.20 (4) | C332—C331—C336 | 118.47 (15) |
P5—Ag3—P6 | 119.923 (15) | C332—C331—P3 | 122.50 (13) |
N3—Ag3—S3 | 100.15 (4) | C336—C331—P3 | 118.52 (12) |
P5—Ag3—S3 | 112.366 (15) | C333—C332—C331 | 121.03 (17) |
P6—Ag3—S3 | 116.275 (17) | C333—C332—H332 | 119.5 |
C111—P1—C121 | 105.35 (7) | C331—C332—H332 | 119.5 |
C111—P1—C131 | 101.85 (7) | C334—C333—C332 | 118.30 (17) |
C121—P1—C131 | 105.11 (7) | C334—C333—H333 | 120.8 |
C111—P1—Ag1 | 114.65 (5) | C332—C333—H333 | 120.8 |
C121—P1—Ag1 | 111.62 (5) | F33—C334—C335 | 118.28 (16) |
C131—P1—Ag1 | 117.03 (5) | F33—C334—C333 | 118.82 (17) |
C211—P2—C231 | 103.05 (8) | C335—C334—C333 | 122.90 (17) |
C211—P2—C221 | 102.41 (8) | C334—C335—C336 | 118.32 (16) |
C231—P2—C221 | 106.35 (8) | C334—C335—H335 | 120.8 |
C211—P2—Ag1 | 114.11 (5) | C336—C335—H335 | 120.8 |
C231—P2—Ag1 | 119.14 (5) | C335—C336—C331 | 120.97 (16) |
C221—P2—Ag1 | 110.20 (6) | C335—C336—H336 | 119.5 |
C331—P3—C311 | 105.29 (7) | C331—C336—H336 | 119.5 |
C331—P3—C321 | 104.62 (7) | C412—C411—C416 | 119.20 (16) |
C311—P3—C321 | 102.75 (7) | C412—C411—P4 | 118.49 (13) |
C331—P3—Ag2 | 110.28 (5) | C416—C411—P4 | 122.31 (13) |
C311—P3—Ag2 | 115.51 (5) | C413—C412—C411 | 120.52 (17) |
C321—P3—Ag2 | 117.17 (5) | C413—C412—H412 | 119.7 |
C431—P4—C421 | 106.40 (8) | C411—C412—H412 | 119.7 |
C431—P4—C411 | 101.69 (8) | C414—C413—C412 | 118.56 (17) |
C421—P4—C411 | 103.32 (8) | C414—C413—H413 | 120.7 |
C431—P4—Ag2 | 108.98 (5) | C412—C413—H413 | 120.7 |
C421—P4—Ag2 | 119.60 (6) | F41—C414—C413 | 118.73 (17) |
C411—P4—Ag2 | 115.09 (5) | F41—C414—C415 | 118.56 (16) |
C531—P5—C511 | 104.49 (7) | C413—C414—C415 | 122.70 (16) |
C531—P5—C521 | 102.92 (7) | C414—C415—C416 | 118.20 (16) |
C511—P5—C521 | 104.46 (7) | C414—C415—H415 | 120.9 |
C531—P5—Ag3 | 114.80 (5) | C416—C415—H415 | 120.9 |
C511—P5—Ag3 | 111.71 (5) | C415—C416—C411 | 120.81 (17) |
C521—P5—Ag3 | 117.12 (5) | C415—C416—H416 | 119.6 |
C631—P6—C611 | 102.89 (8) | C411—C416—H416 | 119.6 |
C631—P6—C621 | 102.53 (7) | C422—C421—C426 | 118.56 (17) |
C611—P6—C621 | 105.64 (8) | C422—C421—P4 | 123.15 (13) |
C631—P6—Ag3 | 112.08 (5) | C426—C421—P4 | 118.20 (13) |
C611—P6—Ag3 | 108.61 (6) | C421—C422—C423 | 120.58 (18) |
C621—P6—Ag3 | 123.13 (5) | C421—C422—H422 | 119.7 |
C1—S1—Ag1 | 101.32 (6) | C423—C422—H422 | 119.7 |
N1—C1—S1 | 178.51 (16) | C424—C423—C422 | 118.87 (19) |
C1—N1—Ag2 | 148.63 (13) | C424—C423—H423 | 120.6 |
C2—S2—Ag2 | 99.93 (6) | C422—C423—H423 | 120.6 |
N2—C2—S2 | 178.82 (17) | F42—C424—C423 | 118.94 (19) |
C2—N2—Ag1 | 151.14 (13) | F42—C424—C425 | 118.18 (19) |
C3—S3—Ag3 | 100.01 (6) | C423—C424—C425 | 122.88 (18) |
N3i—C3—S3 | 179.08 (17) | C424—C425—C426 | 117.83 (18) |
C3i—N3—Ag3 | 154.23 (13) | C424—C425—H425 | 121.1 |
C112—C111—C116 | 119.21 (15) | C426—C425—H425 | 121.1 |
C112—C111—P1 | 118.17 (12) | C425—C426—C421 | 121.26 (18) |
C116—C111—P1 | 122.52 (12) | C425—C426—H426 | 119.4 |
C113—C112—C111 | 120.49 (16) | C421—C426—H426 | 119.4 |
C113—C112—H112 | 119.8 | C432—C431—C436 | 118.62 (17) |
C111—C112—H112 | 119.8 | C432—C431—P4 | 125.45 (14) |
C114—C113—C112 | 118.39 (16) | C436—C431—P4 | 115.92 (13) |
C114—C113—H113 | 120.8 | C431—C432—C433 | 121.00 (18) |
C112—C113—H113 | 120.8 | C431—C432—H432 | 119.5 |
F16—C114—C113 | 118.22 (16) | C433—C432—H432 | 119.5 |
F16—C114—C115 | 118.67 (16) | C434—C433—C432 | 118.20 (18) |
C113—C114—C115 | 123.10 (16) | C434—C433—H433 | 120.9 |
C114—C115—C116 | 118.08 (17) | C432—C433—H433 | 120.9 |
C114—C115—H115 | 121 | F43—C434—C433 | 118.88 (17) |
C116—C115—H115 | 121 | F43—C434—C435 | 118.37 (17) |
C115—C116—C111 | 120.70 (16) | C433—C434—C435 | 122.74 (18) |
C115—C116—H116 | 119.6 | C434—C435—C436 | 118.14 (17) |
C111—C116—H116 | 119.6 | C434—C435—H435 | 120.9 |
C122—C121—C126 | 118.49 (15) | C436—C435—H435 | 120.9 |
C122—C121—P1 | 121.79 (13) | C435—C436—C431 | 121.21 (17) |
C126—C121—P1 | 119.29 (12) | C435—C436—H436 | 119.4 |
C121—C122—C123 | 121.25 (17) | C431—C436—H436 | 119.4 |
C121—C122—H122 | 119.4 | C512—C511—C516 | 118.55 (15) |
C123—C122—H122 | 119.4 | C512—C511—P5 | 123.09 (13) |
C124—C123—C122 | 118.27 (17) | C516—C511—P5 | 118.14 (13) |
C124—C123—H123 | 120.9 | C511—C512—C513 | 121.11 (16) |
C122—C123—H123 | 120.9 | C511—C512—H512 | 119.4 |
F12—C124—C125 | 118.55 (16) | C513—C512—H512 | 119.4 |
F12—C124—C123 | 118.83 (17) | C514—C513—C512 | 118.30 (17) |
C125—C124—C123 | 122.62 (16) | C514—C513—H513 | 120.9 |
C124—C125—C126 | 118.46 (16) | C512—C513—H513 | 120.9 |
C124—C125—H125 | 120.8 | F51—C514—C513 | 118.81 (17) |
C126—C125—H125 | 120.8 | F51—C514—C515 | 118.44 (16) |
C125—C126—C121 | 120.92 (16) | C513—C514—C515 | 122.74 (17) |
C125—C126—H126 | 119.5 | C514—C515—C516 | 118.36 (16) |
C121—C126—H126 | 119.5 | C514—C515—H515 | 120.8 |
C136—C131—C132 | 118.87 (14) | C516—C515—H515 | 120.8 |
C136—C131—P1 | 116.88 (12) | C515—C516—C511 | 120.93 (16) |
C132—C131—P1 | 124.20 (12) | C515—C516—H516 | 119.5 |
C133—C132—C131 | 120.90 (15) | C511—C516—H516 | 119.5 |
C133—C132—H132 | 119.6 | C526—C521—C522 | 119.01 (15) |
C131—C132—H132 | 119.6 | C526—C521—P5 | 117.59 (12) |
C134—C133—C132 | 118.16 (15) | C522—C521—P5 | 123.39 (13) |
C134—C133—H133 | 120.9 | C523—C522—C521 | 120.71 (17) |
C132—C133—H133 | 120.9 | C523—C522—H522 | 119.6 |
F13—C134—C135 | 118.41 (15) | C521—C522—H522 | 119.6 |
F13—C134—C133 | 118.72 (15) | C524—C523—C522 | 118.21 (17) |
C135—C134—C133 | 122.87 (15) | C524—C523—H523 | 120.9 |
C134—C135—C136 | 118.11 (16) | C522—C523—H523 | 120.9 |
C134—C135—H135 | 120.9 | F52—C524—C525 | 118.54 (16) |
C136—C135—H135 | 120.9 | F52—C524—C523 | 118.50 (16) |
C135—C136—C131 | 121.04 (15) | C525—C524—C523 | 122.96 (16) |
C135—C136—H136 | 119.5 | C524—C525—C526 | 118.31 (16) |
C131—C136—H136 | 119.5 | C524—C525—H525 | 120.8 |
C212—C211—C216 | 119.07 (16) | C526—C525—H525 | 120.8 |
C212—C211—P2 | 118.17 (13) | C525—C526—C521 | 120.77 (16) |
C216—C211—P2 | 122.75 (13) | C525—C526—H526 | 119.6 |
C213—C212—C211 | 120.53 (17) | C521—C526—H526 | 119.6 |
C213—C212—H212 | 119.7 | C536—C531—C532 | 119.29 (15) |
C211—C212—H212 | 119.7 | C536—C531—P5 | 118.44 (12) |
C214—C213—C212 | 118.48 (18) | C532—C531—P5 | 122.26 (12) |
C214—C213—H213 | 120.8 | C533—C532—C531 | 120.61 (16) |
C212—C213—H213 | 120.8 | C533—C532—H532 | 119.7 |
F21—C214—C215 | 118.83 (17) | C531—C532—H532 | 119.7 |
F21—C214—C213 | 118.16 (18) | C534—C533—C532 | 118.09 (16) |
C215—C214—C213 | 123.00 (17) | C534—C533—H533 | 121 |
C214—C215—C216 | 118.07 (17) | C532—C533—H533 | 121 |
C214—C215—H215 | 121 | F53—C534—C535 | 118.09 (16) |
C216—C215—H215 | 121 | F53—C534—C533 | 118.65 (16) |
C215—C216—C211 | 120.85 (17) | C535—C534—C533 | 123.25 (16) |
C215—C216—H216 | 119.6 | C534—C535—C536 | 118.08 (16) |
C211—C216—H216 | 119.6 | C534—C535—H535 | 121 |
C222—C221—C226 | 119.03 (16) | C536—C535—H535 | 121 |
C222—C221—P2 | 125.03 (14) | C535—C536—C531 | 120.63 (15) |
C226—C221—P2 | 115.93 (13) | C535—C536—H536 | 119.7 |
C221—C222—C223 | 120.72 (18) | C531—C536—H536 | 119.7 |
C221—C222—H222 | 119.6 | C616—C611—C612 | 118.73 (16) |
C223—C222—H222 | 119.6 | C616—C611—P6 | 125.46 (14) |
C224—C223—C222 | 117.92 (18) | C612—C611—P6 | 115.79 (13) |
C224—C223—H223 | 121 | C613—C612—C611 | 120.90 (18) |
C222—C223—H223 | 121 | C613—C612—H612 | 119.6 |
F22—C224—C225 | 118.13 (18) | C611—C612—H612 | 119.6 |
F22—C224—C223 | 118.56 (17) | C614—C613—C612 | 118.31 (19) |
C225—C224—C223 | 123.32 (18) | C614—C613—H613 | 120.8 |
C224—C225—C226 | 118.04 (18) | C612—C613—H613 | 120.8 |
C224—C225—H225 | 121 | F61—C614—C615 | 118.66 (18) |
C226—C225—H225 | 121 | F61—C614—C613 | 118.06 (19) |
C225—C226—C221 | 120.91 (17) | C615—C614—C613 | 123.28 (18) |
C225—C226—H226 | 119.5 | C614—C615—C616 | 118.08 (18) |
C221—C226—H226 | 119.5 | C614—C615—H615 | 121 |
C232—C231—C236 | 118.62 (16) | C616—C615—H615 | 121 |
C232—C231—P2 | 123.33 (13) | C611—C616—C615 | 120.67 (18) |
C236—C231—P2 | 117.86 (14) | C611—C616—H616 | 119.7 |
C231—C232—C233 | 120.44 (17) | C615—C616—H616 | 119.7 |
C231—C232—H232 | 119.8 | C626—C621—C622 | 118.46 (16) |
C233—C232—H232 | 119.8 | C626—C621—P6 | 122.17 (13) |
C234—C233—C232 | 118.77 (19) | C622—C621—P6 | 119.21 (13) |
C234—C233—H233 | 120.6 | C623—C622—C621 | 121.39 (17) |
C232—C233—H233 | 120.6 | C623—C622—H622 | 119.3 |
F23—C234—C233 | 118.96 (19) | C621—C622—H622 | 119.3 |
F23—C234—C235 | 118.36 (18) | C624—C623—C622 | 117.96 (17) |
C233—C234—C235 | 122.65 (18) | C624—C623—H623 | 121 |
C234—C235—C236 | 118.11 (17) | C622—C623—H623 | 121 |
C234—C235—H235 | 120.9 | F62—C624—C625 | 118.83 (17) |
C236—C235—H235 | 120.9 | F62—C624—C623 | 118.33 (17) |
C235—C236—C231 | 121.38 (18) | C625—C624—C623 | 122.84 (17) |
C235—C236—H236 | 119.3 | C624—C625—C626 | 118.76 (17) |
C231—C236—H236 | 119.3 | C624—C625—H625 | 120.6 |
C316—C311—C312 | 119.30 (15) | C626—C625—H625 | 120.6 |
C316—C311—P3 | 117.89 (13) | C621—C626—C625 | 120.58 (16) |
C312—C311—P3 | 122.76 (13) | C621—C626—H626 | 119.7 |
C313—C312—C311 | 120.83 (16) | C625—C626—H626 | 119.7 |
C313—C312—H312 | 119.6 | C636—C631—C632 | 119.11 (16) |
C311—C312—H312 | 119.6 | C636—C631—P6 | 119.05 (13) |
C314—C313—C312 | 117.84 (17) | C632—C631—P6 | 121.83 (13) |
C314—C313—H313 | 121.1 | C633—C632—C631 | 120.86 (17) |
C312—C313—H313 | 121.1 | C633—C632—H632 | 119.6 |
F31—C314—C315 | 117.89 (17) | C631—C632—H632 | 119.6 |
F31—C314—C313 | 118.82 (17) | C634—C633—C632 | 118.17 (17) |
C315—C314—C313 | 123.29 (16) | C634—C633—H633 | 120.9 |
C314—C315—C316 | 118.23 (16) | C632—C633—H633 | 120.9 |
C314—C315—H315 | 120.9 | F63—C634—C633 | 118.44 (17) |
C316—C315—H315 | 120.9 | F63—C634—C635 | 118.36 (18) |
C315—C316—C311 | 120.49 (16) | C633—C634—C635 | 123.19 (17) |
C315—C316—H316 | 119.8 | C634—C635—C636 | 118.06 (17) |
C311—C316—H316 | 119.8 | C634—C635—H635 | 121 |
C326—C321—C322 | 119.06 (15) | C636—C635—H635 | 121 |
C326—C321—P3 | 117.50 (12) | C635—C636—C631 | 120.61 (17) |
C322—C321—P3 | 123.39 (13) | C635—C636—H636 | 119.7 |
C323—C322—C321 | 120.69 (17) | C631—C636—H636 | 119.7 |
C323—C322—H322 | 119.7 | | |
| | | |
N2—Ag1—P1—C111 | 4.84 (7) | C312—C313—C314—C315 | −0.4 (3) |
P2—Ag1—P1—C111 | 114.98 (6) | F31—C314—C315—C316 | −178.18 (16) |
S1—Ag1—P1—C111 | −108.99 (6) | C313—C314—C315—C316 | 1.7 (3) |
N2—Ag1—P1—C121 | −114.84 (7) | C314—C315—C316—C311 | −1.8 (3) |
P2—Ag1—P1—C121 | −4.70 (6) | C312—C311—C316—C315 | 0.5 (2) |
S1—Ag1—P1—C121 | 131.33 (6) | P3—C311—C316—C315 | −176.87 (13) |
N2—Ag1—P1—C131 | 124.04 (7) | C331—P3—C321—C326 | 160.56 (13) |
P2—Ag1—P1—C131 | −125.82 (6) | C311—P3—C321—C326 | −89.66 (14) |
S1—Ag1—P1—C131 | 10.21 (6) | Ag2—P3—C321—C326 | 38.11 (14) |
N2—Ag1—P2—C211 | −37.66 (7) | C331—P3—C321—C322 | −22.22 (16) |
P1—Ag1—P2—C211 | −157.92 (6) | C311—P3—C321—C322 | 87.56 (15) |
S1—Ag1—P2—C211 | 65.26 (6) | Ag2—P3—C321—C322 | −144.67 (12) |
N2—Ag1—P2—C231 | −159.85 (7) | C326—C321—C322—C323 | −0.4 (2) |
P1—Ag1—P2—C231 | 79.90 (7) | P3—C321—C322—C323 | −177.55 (13) |
S1—Ag1—P2—C231 | −56.92 (7) | C321—C322—C323—C324 | 1.2 (3) |
N2—Ag1—P2—C221 | 76.89 (7) | C322—C323—C324—F32 | 179.37 (15) |
P1—Ag1—P2—C221 | −43.36 (6) | C322—C323—C324—C325 | −0.7 (3) |
S1—Ag1—P2—C221 | 179.81 (6) | F32—C324—C325—C326 | 179.38 (15) |
N1—Ag2—P3—C331 | 118.64 (7) | C323—C324—C325—C326 | −0.5 (3) |
P4—Ag2—P3—C331 | 6.65 (6) | C322—C321—C326—C325 | −0.9 (3) |
S2—Ag2—P3—C331 | −124.27 (6) | P3—C321—C326—C325 | 176.43 (13) |
N1—Ag2—P3—C311 | −0.55 (7) | C324—C325—C326—C321 | 1.3 (3) |
P4—Ag2—P3—C311 | −112.54 (6) | C311—P3—C331—C332 | 23.13 (16) |
S2—Ag2—P3—C311 | 116.54 (6) | C321—P3—C331—C332 | 131.06 (15) |
N1—Ag2—P3—C321 | −121.88 (7) | Ag2—P3—C331—C332 | −102.11 (14) |
P4—Ag2—P3—C321 | 126.13 (6) | C311—P3—C331—C336 | −165.21 (13) |
S2—Ag2—P3—C321 | −4.79 (6) | C321—P3—C331—C336 | −57.29 (14) |
N1—Ag2—P4—C431 | −80.15 (7) | Ag2—P3—C331—C336 | 69.55 (13) |
P3—Ag2—P4—C431 | 43.65 (6) | C336—C331—C332—C333 | −0.3 (3) |
S2—Ag2—P4—C431 | 174.26 (6) | P3—C331—C332—C333 | 171.39 (15) |
N1—Ag2—P4—C421 | 157.24 (7) | C331—C332—C333—C334 | −0.2 (3) |
P3—Ag2—P4—C421 | −78.96 (7) | C332—C333—C334—F33 | −179.76 (18) |
S2—Ag2—P4—C421 | 51.65 (7) | C332—C333—C334—C335 | 0.6 (3) |
N1—Ag2—P4—C411 | 33.29 (7) | F33—C334—C335—C336 | 179.78 (16) |
P3—Ag2—P4—C411 | 157.09 (6) | C333—C334—C335—C336 | −0.6 (3) |
S2—Ag2—P4—C411 | −72.31 (6) | C334—C335—C336—C331 | 0.1 (3) |
N3—Ag3—P5—C531 | −5.34 (7) | C332—C331—C336—C335 | 0.3 (2) |
P6—Ag3—P5—C531 | −111.50 (6) | P3—C331—C336—C335 | −171.70 (13) |
S3—Ag3—P5—C531 | 106.39 (6) | C431—P4—C411—C412 | 157.16 (14) |
N3—Ag3—P5—C511 | 113.39 (7) | C421—P4—C411—C412 | −92.64 (14) |
P6—Ag3—P5—C511 | 7.22 (6) | Ag2—P4—C411—C412 | 39.53 (15) |
S3—Ag3—P5—C511 | −134.88 (6) | C431—P4—C411—C416 | −22.05 (16) |
N3—Ag3—P5—C521 | −126.22 (7) | C421—P4—C411—C416 | 88.15 (15) |
P6—Ag3—P5—C521 | 127.62 (6) | Ag2—P4—C411—C416 | −139.68 (13) |
S3—Ag3—P5—C521 | −14.49 (6) | C416—C411—C412—C413 | −0.3 (3) |
N3—Ag3—P6—C631 | 35.04 (7) | P4—C411—C412—C413 | −179.52 (14) |
P5—Ag3—P6—C631 | 151.89 (6) | C411—C412—C413—C414 | 1.2 (3) |
S3—Ag3—P6—C631 | −67.41 (6) | C412—C413—C414—F41 | 177.49 (15) |
N3—Ag3—P6—C611 | −77.96 (7) | C412—C413—C414—C415 | −1.4 (3) |
P5—Ag3—P6—C611 | 38.89 (6) | F41—C414—C415—C416 | −178.22 (15) |
S3—Ag3—P6—C611 | 179.59 (6) | C413—C414—C415—C416 | 0.6 (3) |
N3—Ag3—P6—C621 | 158.03 (7) | C414—C415—C416—C411 | 0.3 (3) |
P5—Ag3—P6—C621 | −85.13 (7) | C412—C411—C416—C415 | −0.5 (3) |
S3—Ag3—P6—C621 | 55.57 (7) | P4—C411—C416—C415 | 178.75 (13) |
N2—Ag1—S1—C1 | 20.02 (7) | C431—P4—C421—C422 | 86.90 (17) |
P1—Ag1—S1—C1 | 141.52 (6) | C411—P4—C421—C422 | −19.77 (17) |
P2—Ag1—S1—C1 | −79.07 (6) | Ag2—P4—C421—C422 | −149.24 (14) |
Ag1—S1—C1—N1 | 139 (7) | C431—P4—C421—C426 | −96.53 (15) |
S1—C1—N1—Ag2 | −18E1 (10) | C411—P4—C421—C426 | 156.80 (15) |
P3—Ag2—N1—C1 | 157.9 (2) | Ag2—P4—C421—C426 | 27.34 (17) |
P4—Ag2—N1—C1 | −76.4 (2) | C426—C421—C422—C423 | 1.1 (3) |
S2—Ag2—N1—C1 | 36.6 (3) | P4—C421—C422—C423 | 177.64 (16) |
N1—Ag2—S2—C2 | −16.83 (7) | C421—C422—C423—C424 | 0.3 (3) |
P3—Ag2—S2—C2 | −142.13 (6) | C422—C423—C424—F42 | −179.95 (19) |
P4—Ag2—S2—C2 | 83.00 (6) | C422—C423—C424—C425 | −1.0 (3) |
Ag2—S2—C2—N2 | −16E1 (6) | F42—C424—C425—C426 | 179.22 (18) |
S2—C2—N2—Ag1 | −159 (11) | C423—C424—C425—C426 | 0.2 (3) |
P1—Ag1—N2—C2 | −164.9 (3) | C424—C425—C426—C421 | 1.2 (3) |
P2—Ag1—N2—C2 | 70.1 (3) | C422—C421—C426—C425 | −1.8 (3) |
S1—Ag1—N2—C2 | −43.1 (3) | P4—C421—C426—C425 | −178.58 (16) |
N3—Ag3—S3—C3 | −14.74 (7) | C421—P4—C431—C432 | 1.70 (19) |
P5—Ag3—S3—C3 | −133.58 (6) | C411—P4—C431—C432 | 109.53 (17) |
P6—Ag3—S3—C3 | 82.84 (6) | Ag2—P4—C431—C432 | −128.53 (16) |
Ag3—S3—C3—N3i | −17E1 (8) | C421—P4—C431—C436 | −177.46 (13) |
P5—Ag3—N3—C3i | 154.8 (3) | C411—P4—C431—C436 | −69.63 (15) |
P6—Ag3—N3—C3i | −81.6 (3) | Ag2—P4—C431—C436 | 52.31 (14) |
S3—Ag3—N3—C3i | 35.6 (3) | C436—C431—C432—C433 | −0.3 (3) |
C121—P1—C111—C112 | 130.37 (13) | P4—C431—C432—C433 | −179.42 (18) |
C131—P1—C111—C112 | −120.14 (13) | C431—C432—C433—C434 | 0.8 (4) |
Ag1—P1—C111—C112 | 7.25 (14) | C432—C433—C434—F43 | 179.5 (2) |
C121—P1—C111—C116 | −53.33 (15) | C432—C433—C434—C435 | 0.8 (4) |
C131—P1—C111—C116 | 56.17 (15) | F43—C434—C435—C436 | 178.47 (17) |
Ag1—P1—C111—C116 | −176.45 (12) | C433—C434—C435—C436 | −2.8 (3) |
C116—C111—C112—C113 | 0.3 (2) | C434—C435—C436—C431 | 3.3 (3) |
P1—C111—C112—C113 | 176.72 (13) | C432—C431—C436—C435 | −1.8 (3) |
C111—C112—C113—C114 | 0.9 (2) | P4—C431—C436—C435 | 177.42 (15) |
C112—C113—C114—F16 | 178.16 (15) | C531—P5—C511—C512 | 14.81 (16) |
C112—C113—C114—C115 | −1.1 (3) | C521—P5—C511—C512 | 122.57 (15) |
F16—C114—C115—C116 | −179.23 (16) | Ag3—P5—C511—C512 | −109.88 (14) |
C113—C114—C115—C116 | 0.0 (3) | C531—P5—C511—C516 | −170.69 (12) |
C114—C115—C116—C111 | 1.3 (3) | C521—P5—C511—C516 | −62.92 (14) |
C112—C111—C116—C115 | −1.4 (2) | Ag3—P5—C511—C516 | 64.62 (13) |
P1—C111—C116—C115 | −177.66 (13) | C516—C511—C512—C513 | 0.4 (3) |
C111—P1—C121—C122 | −26.92 (16) | P5—C511—C512—C513 | 174.84 (15) |
C131—P1—C121—C122 | −134.06 (14) | C511—C512—C513—C514 | 0.1 (3) |
Ag1—P1—C121—C122 | 98.12 (14) | C512—C513—C514—F51 | 179.11 (17) |
C111—P1—C121—C126 | 160.73 (13) | C512—C513—C514—C515 | −0.2 (3) |
C131—P1—C121—C126 | 53.59 (14) | F51—C514—C515—C516 | −179.48 (15) |
Ag1—P1—C121—C126 | −74.24 (13) | C513—C514—C515—C516 | −0.2 (3) |
C126—C121—C122—C123 | −0.1 (3) | C514—C515—C516—C511 | 0.7 (3) |
P1—C121—C122—C123 | −172.54 (16) | C512—C511—C516—C515 | −0.7 (2) |
C121—C122—C123—C124 | −0.1 (3) | P5—C511—C516—C515 | −175.50 (13) |
C122—C123—C124—F12 | −179.11 (18) | C531—P5—C521—C526 | −86.78 (14) |
C122—C123—C124—C125 | 0.2 (3) | C511—P5—C521—C526 | 164.30 (13) |
F12—C124—C125—C126 | 179.17 (16) | Ag3—P5—C521—C526 | 40.16 (14) |
C123—C124—C125—C126 | −0.1 (3) | C531—P5—C521—C522 | 91.96 (15) |
C124—C125—C126—C121 | −0.1 (2) | C511—P5—C521—C522 | −16.96 (16) |
C122—C121—C126—C125 | 0.2 (2) | Ag3—P5—C521—C522 | −141.11 (12) |
P1—C121—C126—C125 | 172.80 (13) | C526—C521—C522—C523 | −1.1 (2) |
C111—P1—C131—C136 | 86.18 (13) | P5—C521—C522—C523 | −179.80 (13) |
C121—P1—C131—C136 | −164.13 (12) | C521—C522—C523—C524 | 1.4 (3) |
Ag1—P1—C131—C136 | −39.65 (14) | C522—C523—C524—F52 | 179.50 (15) |
C111—P1—C131—C132 | −91.39 (14) | C522—C523—C524—C525 | −0.2 (3) |
C121—P1—C131—C132 | 18.29 (15) | F52—C524—C525—C526 | 179.02 (15) |
Ag1—P1—C131—C132 | 142.77 (12) | C523—C524—C525—C526 | −1.3 (3) |
C136—C131—C132—C133 | 0.7 (2) | C524—C525—C526—C521 | 1.6 (3) |
P1—C131—C132—C133 | 178.20 (13) | C522—C521—C526—C525 | −0.4 (2) |
C131—C132—C133—C134 | −1.6 (2) | P5—C521—C526—C525 | 178.36 (13) |
C132—C133—C134—F13 | −179.03 (14) | C511—P5—C531—C536 | −122.27 (13) |
C132—C133—C134—C135 | 0.7 (3) | C521—P5—C531—C536 | 128.83 (13) |
F13—C134—C135—C136 | −179.13 (14) | Ag3—P5—C531—C536 | 0.44 (15) |
C133—C134—C135—C136 | 1.1 (3) | C511—P5—C531—C532 | 58.96 (15) |
C134—C135—C136—C131 | −2.1 (2) | C521—P5—C531—C532 | −49.94 (15) |
C132—C131—C136—C135 | 1.2 (2) | Ag3—P5—C531—C532 | −178.33 (12) |
P1—C131—C136—C135 | −176.47 (13) | C536—C531—C532—C533 | 2.0 (3) |
C231—P2—C211—C212 | 91.92 (15) | P5—C531—C532—C533 | −179.26 (13) |
C221—P2—C211—C212 | −157.79 (14) | C531—C532—C533—C534 | −1.1 (3) |
Ag1—P2—C211—C212 | −38.72 (15) | C532—C533—C534—F53 | 178.79 (16) |
C231—P2—C211—C216 | −86.57 (15) | C532—C533—C534—C535 | −1.0 (3) |
C221—P2—C211—C216 | 23.72 (16) | F53—C534—C535—C536 | −177.62 (15) |
Ag1—P2—C211—C216 | 142.79 (13) | C533—C534—C535—C536 | 2.2 (3) |
C216—C211—C212—C213 | 0.7 (3) | C534—C535—C536—C531 | −1.2 (3) |
P2—C211—C212—C213 | −177.85 (16) | C532—C531—C536—C535 | −0.8 (2) |
C211—C212—C213—C214 | −0.2 (3) | P5—C531—C536—C535 | −179.57 (13) |
C212—C213—C214—F21 | −179.71 (18) | C631—P6—C611—C616 | 94.21 (16) |
C212—C213—C214—C215 | −0.4 (3) | C621—P6—C611—C616 | −12.96 (17) |
F21—C214—C215—C216 | 179.87 (17) | Ag3—P6—C611—C616 | −146.84 (14) |
C213—C214—C215—C216 | 0.6 (3) | C631—P6—C611—C612 | −84.10 (15) |
C214—C215—C216—C211 | −0.1 (3) | C621—P6—C611—C612 | 168.73 (14) |
C212—C211—C216—C215 | −0.5 (3) | Ag3—P6—C611—C612 | 34.85 (15) |
P2—C211—C216—C215 | 177.95 (14) | C616—C611—C612—C613 | 0.1 (3) |
C211—P2—C221—C222 | −99.50 (16) | P6—C611—C612—C613 | 178.54 (16) |
C231—P2—C221—C222 | 8.29 (18) | C611—C612—C613—C614 | 1.3 (3) |
Ag1—P2—C221—C222 | 138.73 (14) | C612—C613—C614—F61 | 178.32 (18) |
C211—P2—C221—C226 | 79.09 (14) | C612—C613—C614—C615 | −1.8 (3) |
C231—P2—C221—C226 | −173.13 (13) | F61—C614—C615—C616 | −179.37 (17) |
Ag1—P2—C221—C226 | −42.69 (14) | C613—C614—C615—C616 | 0.8 (3) |
C226—C221—C222—C223 | 1.0 (3) | C612—C611—C616—C615 | −1.2 (3) |
P2—C221—C222—C223 | 179.54 (15) | P6—C611—C616—C615 | −179.44 (15) |
C221—C222—C223—C224 | −1.7 (3) | C614—C615—C616—C611 | 0.8 (3) |
C222—C223—C224—F22 | −179.37 (17) | C631—P6—C621—C626 | 6.22 (16) |
C222—C223—C224—C225 | 0.2 (3) | C611—P6—C621—C626 | 113.66 (15) |
F22—C224—C225—C226 | −178.53 (16) | Ag3—P6—C621—C626 | −121.00 (13) |
C223—C224—C225—C226 | 1.9 (3) | C631—P6—C621—C622 | −178.29 (14) |
C224—C225—C226—C221 | −2.6 (3) | C611—P6—C621—C622 | −70.86 (15) |
C222—C221—C226—C225 | 1.2 (3) | Ag3—P6—C621—C622 | 54.48 (16) |
P2—C221—C226—C225 | −177.50 (14) | C626—C621—C622—C623 | −0.6 (3) |
C211—P2—C231—C232 | 5.65 (17) | P6—C621—C622—C623 | −176.20 (14) |
C221—P2—C231—C232 | −101.69 (16) | C621—C622—C623—C624 | 0.6 (3) |
Ag1—P2—C231—C232 | 133.18 (14) | C622—C623—C624—F62 | 179.17 (16) |
C211—P2—C231—C236 | −169.19 (14) | C622—C623—C624—C625 | −0.1 (3) |
C221—P2—C231—C236 | 83.48 (15) | F62—C624—C625—C626 | −179.68 (16) |
Ag1—P2—C231—C236 | −41.66 (16) | C623—C624—C625—C626 | −0.4 (3) |
C236—C231—C232—C233 | −1.1 (3) | C622—C621—C626—C625 | 0.0 (3) |
P2—C231—C232—C233 | −175.91 (16) | P6—C621—C626—C625 | 175.54 (14) |
C231—C232—C233—C234 | −0.5 (3) | C624—C625—C626—C621 | 0.5 (3) |
C232—C233—C234—F23 | 179.85 (18) | C611—P6—C631—C636 | 153.90 (14) |
C232—C233—C234—C235 | 1.6 (3) | C621—P6—C631—C636 | −96.58 (14) |
F23—C234—C235—C236 | −179.26 (17) | Ag3—P6—C631—C636 | 37.40 (15) |
C233—C234—C235—C236 | −1.0 (3) | C611—P6—C631—C632 | −27.46 (16) |
C234—C235—C236—C231 | −0.7 (3) | C621—P6—C631—C632 | 82.06 (15) |
C232—C231—C236—C235 | 1.7 (3) | Ag3—P6—C631—C632 | −143.96 (13) |
P2—C231—C236—C235 | 176.83 (15) | C636—C631—C632—C633 | 0.3 (3) |
C331—P3—C311—C316 | −122.99 (13) | P6—C631—C632—C633 | −178.37 (14) |
C321—P3—C311—C316 | 127.74 (13) | C631—C632—C633—C634 | −0.3 (3) |
Ag2—P3—C311—C316 | −1.08 (15) | C632—C633—C634—F63 | −178.41 (16) |
C331—P3—C311—C312 | 59.76 (15) | C632—C633—C634—C635 | 0.6 (3) |
C321—P3—C311—C312 | −49.52 (15) | F63—C634—C635—C636 | 178.26 (17) |
Ag2—P3—C311—C312 | −178.34 (12) | C633—C634—C635—C636 | −0.7 (3) |
C316—C311—C312—C313 | 0.9 (3) | C634—C635—C636—C631 | 0.6 (3) |
P3—C311—C312—C313 | 178.15 (14) | C632—C631—C636—C635 | −0.4 (3) |
C311—C312—C313—C314 | −1.0 (3) | P6—C631—C636—C635 | 178.25 (14) |
C312—C313—C314—F31 | 179.55 (16) | | |
Symmetry code: (i) −x, −y+2, −z+1. |