Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536803025558/om6189sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S1600536803025558/om6189Isup2.hkl |
CCDC reference: 227753
Key indicators
- Single-crystal X-ray study
- T = 296 K
- Mean (C-C) = 0.015 Å
- R factor = 0.047
- wR factor = 0.111
- Data-to-parameter ratio = 12.6
checkCIF/PLATON results
No syntax errors found
Alert level B PLAT220_ALERT_2_B Large Non-Solvent C Ueq(max)/Ueq(min) ... 4.39 Ratio PLAT241_ALERT_2_B Check High U(eq) as Compared to Neighbors .... C27
Alert level C PLAT213_ALERT_2_C Atom C22 has ADP max/min Ratio ............. 3.10 prolat PLAT213_ALERT_2_C Atom C23 has ADP max/min Ratio ............. 3.10 prolat PLAT241_ALERT_2_C Check High U(eq) as Compared to Neighbors .... S2 PLAT241_ALERT_2_C Check High U(eq) as Compared to Neighbors .... C22 PLAT241_ALERT_2_C Check High U(eq) as Compared to Neighbors .... C23 PLAT241_ALERT_2_C Check High U(eq) as Compared to Neighbors .... C28 PLAT242_ALERT_2_C Check Low U(eq) as Compared to Neighbors .... C9 PLAT242_ALERT_2_C Check Low U(eq) as Compared to Neighbors .... C15 PLAT242_ALERT_2_C Check Low U(eq) as Compared to Neighbors .... C17 PLAT242_ALERT_2_C Check Low U(eq) as Compared to Neighbors .... C19 PLAT242_ALERT_2_C Check Low U(eq) as Compared to Neighbors .... C25 PLAT342_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ... 15 PLAT432_ALERT_2_C Short Inter X...Y Contact F9 .. C16 = 2.94 Ang. PLAT731_ALERT_1_C Bond Calc 1.39(3), Rep 1.394(13) ...... 2.31 su-Rat C20 -C21 1.555 1.555
0 ALERT level A = In general: serious problem 2 ALERT level B = Potentially serious problem 14 ALERT level C = Check and explain 0 ALERT level G = General alerts; check 1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 14 ALERT type 2 Indicator that the structure model may be wrong or deficient 1 ALERT type 3 Indicator that the structure quality may be low 0 ALERT type 4 Improvement, methodology, query or suggestion
Data collection: XSCANS (Fait, 1991); cell refinement: XSCANS; data reduction: XSCANS; program(s) used to solve structure: SHELXTL-Plus (Sheldrick, 1998); program(s) used to refine structure: SHELXTL-Plus; molecular graphics: SHELXTL-Plus; software used to prepare material for publication: SHELXTL-Plus.
[Pd2(C6F5S)4(C18H10F5P)2] | F(000) = 3344 |
Mr = 1713.74 | Dx = 1.804 Mg m−3 |
Monoclinic, C2/c | Mo Kα radiation, λ = 0.71073 Å |
Hall symbol: -C 2yc | Cell parameters from 36 reflections |
a = 26.807 (3) Å | θ = 2.8–12.0° |
b = 14.3442 (18) Å | µ = 0.88 mm−1 |
c = 20.3758 (15) Å | T = 296 K |
β = 126.362 (6)° | Prism, red |
V = 6309.4 (13) Å3 | 0.3 × 0.3 × 0.2 mm |
Z = 4 |
Bruker P4 diffractometer | 3530 reflections with I > 2σ(I) |
Radiation source: fine-focus sealed tube, FN4 | Rint = 0.037 |
Graphite monochromator | θmax = 25.0°, θmin = 1.8° |
2θ/ω scans | h = −1→31 |
Absorption correction: ψ scan (Fait, 1991) | k = −1→17 |
Tmin = 0.761, Tmax = 0.841 | l = −24→19 |
6476 measured reflections | 3 standard reflections every 97 reflections |
5561 independent reflections | intensity decay: 4.1% |
Refinement on F2 | Primary atom site location: heavy-atom method |
Least-squares matrix: full | Secondary atom site location: difference Fourier map |
R[F2 > 2σ(F2)] = 0.047 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.111 | H-atom parameters constrained |
S = 1.00 | w = 1/[σ2(Fo2) + (0.0437P)2] where P = (Fo2 + 2Fc2)/3 |
5561 reflections | (Δ/σ)max = 0.001 |
442 parameters | Δρmax = 0.44 e Å−3 |
36 restraints | Δρmin = −0.31 e Å−3 |
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. Refinement of F2 against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F2, conventional R-factors R are based on F, with F set to zero for negative F2. The threshold expression of F2 > σ(F2) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F2 are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger. |
x | y | z | Uiso*/Ueq | ||
Pd1 | 0.304691 (17) | 0.73813 (3) | 0.10772 (2) | 0.04837 (14) | |
P1 | 0.32023 (7) | 0.63043 (12) | 0.20065 (9) | 0.0653 (4) | |
S1 | 0.21640 (6) | 0.66039 (9) | −0.00180 (7) | 0.0497 (3) | |
S2 | 0.38948 (7) | 0.82052 (12) | 0.21230 (8) | 0.0697 (5) | |
C1 | 0.2414 (2) | 0.5562 (4) | −0.0199 (3) | 0.0542 (14) | |
C2 | 0.2160 (3) | 0.4724 (4) | −0.0204 (4) | 0.0673 (16) | |
C3 | 0.2287 (4) | 0.3897 (5) | −0.0418 (5) | 0.097 (2) | |
C4 | 0.2695 (5) | 0.3898 (6) | −0.0606 (5) | 0.107 (3) | |
C5 | 0.3003 (4) | 0.4693 (6) | −0.0548 (4) | 0.093 (2) | |
C6 | 0.2839 (3) | 0.5522 (5) | −0.0377 (4) | 0.0702 (16) | |
C7 | 0.4184 (2) | 0.8848 (4) | 0.1676 (3) | 0.0553 (14) | |
C8 | 0.4405 (2) | 0.8438 (5) | 0.1280 (3) | 0.0641 (15) | |
C9 | 0.4655 (3) | 0.8951 (6) | 0.0965 (4) | 0.0707 (17) | |
C10 | 0.4695 (3) | 0.9886 (6) | 0.1045 (4) | 0.0775 (19) | |
C11 | 0.4495 (3) | 1.0319 (5) | 0.1436 (4) | 0.0710 (17) | |
C12 | 0.4240 (2) | 0.9807 (4) | 0.1742 (3) | 0.0601 (15) | |
C13 | 0.3749 (3) | 0.6613 (5) | 0.3095 (3) | 0.0701 (17) | |
C14 | 0.4296 (4) | 0.6188 (6) | 0.3666 (4) | 0.093 (2) | |
C15 | 0.4663 (4) | 0.6464 (7) | 0.4483 (4) | 0.106 (3) | |
C16 | 0.4483 (5) | 0.7164 (8) | 0.4728 (5) | 0.114 (3) | |
C17 | 0.3947 (4) | 0.7598 (7) | 0.4192 (5) | 0.102 (3) | |
C18 | 0.3591 (3) | 0.7328 (6) | 0.3382 (4) | 0.084 (2) | |
C19 | 0.2503 (4) | 0.6024 (6) | 0.1933 (4) | 0.101 (3) | |
C20 | 0.2526 (5) | 0.5293 (8) | 0.2410 (5) | 0.159 (4) | |
H20A | 0.2886 | 0.4945 | 0.2749 | 0.190* | |
C21 | 0.1994 (7) | 0.5105 (11) | 0.2359 (7) | 0.211 (7) | |
H21A | 0.1986 | 0.4624 | 0.2659 | 0.253* | |
C22 | 0.1486 (6) | 0.5644 (14) | 0.1858 (7) | 0.241 (8) | |
H22A | 0.1130 | 0.5504 | 0.1816 | 0.289* | |
C23 | 0.1460 (4) | 0.6372 (13) | 0.1413 (5) | 0.221 (6) | |
H23A | 0.1106 | 0.6737 | 0.1095 | 0.265* | |
C24 | 0.1990 (4) | 0.6545 (9) | 0.1455 (5) | 0.152 (4) | |
H24A | 0.1989 | 0.7028 | 0.1150 | 0.182* | |
C25 | 0.3505 (4) | 0.5268 (5) | 0.1851 (4) | 0.083 (2) | |
C26 | 0.3322 (4) | 0.4365 (7) | 0.1827 (5) | 0.129 (3) | |
H26A | 0.3002 | 0.4254 | 0.1874 | 0.155* | |
C27 | 0.3603 (8) | 0.3616 (11) | 0.1735 (10) | 0.192 (8) | |
H27A | 0.3495 | 0.3010 | 0.1765 | 0.230* | |
C28 | 0.4031 (8) | 0.3767 (12) | 0.1602 (9) | 0.187 (8) | |
H28A | 0.4203 | 0.3262 | 0.1517 | 0.224* | |
C29 | 0.4213 (5) | 0.4630 (9) | 0.1588 (5) | 0.144 (4) | |
H29A | 0.4508 | 0.4726 | 0.1493 | 0.173* | |
C30 | 0.3950 (4) | 0.5394 (6) | 0.1722 (4) | 0.105 (3) | |
H30A | 0.4080 | 0.5995 | 0.1723 | 0.125* | |
F2 | 0.17796 (16) | 0.4696 (2) | 0.0018 (2) | 0.0857 (11) | |
F3 | 0.1990 (2) | 0.3119 (3) | −0.0469 (3) | 0.147 (2) | |
F4 | 0.2832 (3) | 0.3103 (3) | −0.0816 (3) | 0.164 (2) | |
F5 | 0.3435 (2) | 0.4686 (4) | −0.0678 (3) | 0.1306 (17) | |
F6 | 0.31273 (17) | 0.6297 (3) | −0.0347 (2) | 0.0952 (12) | |
F8 | 0.43742 (18) | 0.7498 (3) | 0.1188 (3) | 0.0973 (12) | |
F9 | 0.48525 (18) | 0.8511 (4) | 0.0581 (3) | 0.1153 (15) | |
F10 | 0.49372 (18) | 1.0374 (3) | 0.0735 (3) | 0.1165 (15) | |
F11 | 0.4531 (2) | 1.1250 (3) | 0.1521 (2) | 0.1141 (14) | |
F12 | 0.40311 (16) | 1.0270 (3) | 0.2105 (2) | 0.0834 (10) | |
F14 | 0.4507 (2) | 0.5472 (4) | 0.3478 (2) | 0.1429 (19) | |
F15 | 0.5207 (3) | 0.6010 (4) | 0.5007 (3) | 0.173 (3) | |
F16 | 0.4839 (3) | 0.7408 (4) | 0.5515 (3) | 0.164 (2) | |
F17 | 0.3766 (3) | 0.8311 (4) | 0.4423 (3) | 0.158 (2) | |
F18 | 0.3063 (2) | 0.7793 (3) | 0.2865 (3) | 0.1163 (15) |
U11 | U22 | U33 | U12 | U13 | U23 | |
Pd1 | 0.0437 (2) | 0.0583 (3) | 0.0460 (2) | −0.0089 (2) | 0.02812 (17) | −0.0056 (2) |
P1 | 0.0654 (10) | 0.0771 (11) | 0.0495 (8) | −0.0236 (9) | 0.0319 (8) | −0.0043 (8) |
S1 | 0.0470 (7) | 0.0552 (8) | 0.0505 (7) | −0.0098 (6) | 0.0309 (6) | −0.0061 (6) |
S2 | 0.0602 (9) | 0.0939 (12) | 0.0503 (8) | −0.0305 (9) | 0.0302 (7) | −0.0105 (8) |
C1 | 0.051 (3) | 0.061 (4) | 0.042 (3) | −0.004 (3) | 0.022 (3) | −0.007 (2) |
C2 | 0.056 (4) | 0.058 (4) | 0.064 (4) | −0.002 (3) | 0.023 (3) | −0.001 (3) |
C3 | 0.098 (6) | 0.063 (5) | 0.086 (5) | −0.003 (5) | 0.032 (4) | −0.006 (4) |
C4 | 0.136 (8) | 0.077 (6) | 0.090 (5) | 0.022 (6) | 0.058 (6) | −0.009 (5) |
C5 | 0.087 (5) | 0.110 (7) | 0.076 (5) | 0.036 (5) | 0.046 (4) | −0.002 (4) |
C6 | 0.074 (4) | 0.071 (4) | 0.068 (4) | 0.003 (4) | 0.044 (4) | −0.005 (3) |
C7 | 0.039 (3) | 0.073 (4) | 0.049 (3) | −0.008 (3) | 0.024 (2) | −0.008 (3) |
C8 | 0.050 (3) | 0.067 (4) | 0.066 (4) | −0.004 (3) | 0.030 (3) | −0.009 (3) |
C9 | 0.048 (3) | 0.102 (6) | 0.072 (4) | 0.003 (4) | 0.042 (3) | −0.002 (4) |
C10 | 0.045 (4) | 0.110 (6) | 0.073 (4) | −0.003 (4) | 0.033 (3) | 0.012 (4) |
C11 | 0.054 (4) | 0.072 (5) | 0.070 (4) | −0.004 (3) | 0.027 (3) | 0.010 (3) |
C12 | 0.044 (3) | 0.071 (4) | 0.057 (3) | 0.000 (3) | 0.025 (3) | −0.003 (3) |
C13 | 0.077 (4) | 0.079 (5) | 0.057 (4) | −0.028 (4) | 0.042 (4) | −0.001 (3) |
C14 | 0.105 (6) | 0.082 (5) | 0.071 (5) | −0.019 (5) | 0.040 (5) | −0.009 (4) |
C15 | 0.106 (7) | 0.112 (7) | 0.053 (4) | −0.033 (6) | 0.021 (5) | 0.004 (5) |
C16 | 0.136 (8) | 0.137 (9) | 0.061 (5) | −0.072 (7) | 0.054 (6) | −0.030 (6) |
C17 | 0.122 (7) | 0.125 (7) | 0.080 (5) | −0.056 (6) | 0.071 (5) | −0.043 (5) |
C18 | 0.083 (5) | 0.104 (6) | 0.078 (5) | −0.034 (5) | 0.055 (4) | −0.020 (4) |
C19 | 0.091 (5) | 0.169 (8) | 0.054 (4) | −0.069 (5) | 0.049 (4) | −0.027 (5) |
C20 | 0.171 (9) | 0.228 (11) | 0.089 (6) | −0.121 (8) | 0.084 (6) | −0.027 (6) |
C21 | 0.201 (12) | 0.342 (17) | 0.100 (8) | −0.169 (13) | 0.095 (8) | −0.029 (9) |
C22 | 0.138 (9) | 0.50 (2) | 0.104 (9) | −0.162 (13) | 0.084 (8) | −0.061 (12) |
C23 | 0.093 (6) | 0.51 (2) | 0.082 (6) | −0.047 (10) | 0.063 (5) | 0.002 (9) |
C24 | 0.084 (6) | 0.312 (13) | 0.080 (5) | −0.040 (8) | 0.060 (5) | −0.019 (7) |
C25 | 0.090 (5) | 0.068 (5) | 0.053 (4) | −0.007 (4) | 0.021 (4) | −0.001 (3) |
C26 | 0.135 (8) | 0.079 (6) | 0.106 (6) | −0.020 (6) | 0.036 (6) | 0.000 (5) |
C27 | 0.23 (2) | 0.074 (8) | 0.152 (11) | −0.007 (12) | 0.050 (12) | −0.015 (7) |
C28 | 0.206 (18) | 0.117 (13) | 0.118 (9) | 0.049 (13) | 0.030 (11) | −0.016 (9) |
C29 | 0.142 (9) | 0.151 (10) | 0.093 (6) | 0.057 (9) | 0.045 (6) | −0.004 (7) |
C30 | 0.121 (7) | 0.082 (6) | 0.087 (5) | 0.029 (5) | 0.049 (5) | 0.004 (4) |
F2 | 0.068 (2) | 0.071 (2) | 0.097 (3) | −0.0094 (19) | 0.037 (2) | 0.013 (2) |
F3 | 0.146 (4) | 0.055 (3) | 0.185 (5) | −0.015 (3) | 0.068 (4) | −0.013 (3) |
F4 | 0.200 (6) | 0.098 (4) | 0.169 (5) | 0.044 (4) | 0.096 (4) | −0.032 (3) |
F5 | 0.138 (4) | 0.154 (5) | 0.132 (4) | 0.051 (3) | 0.098 (3) | 0.000 (3) |
F6 | 0.094 (3) | 0.105 (3) | 0.125 (3) | 0.004 (2) | 0.086 (3) | −0.002 (3) |
F8 | 0.102 (3) | 0.081 (3) | 0.123 (3) | −0.001 (2) | 0.074 (3) | −0.017 (2) |
F9 | 0.101 (3) | 0.164 (4) | 0.122 (3) | 0.017 (3) | 0.088 (3) | −0.005 (3) |
F10 | 0.096 (3) | 0.152 (4) | 0.125 (3) | −0.017 (3) | 0.079 (3) | 0.033 (3) |
F11 | 0.134 (4) | 0.074 (3) | 0.126 (3) | −0.014 (3) | 0.072 (3) | 0.009 (2) |
F12 | 0.084 (2) | 0.086 (3) | 0.087 (2) | 0.001 (2) | 0.054 (2) | −0.017 (2) |
F14 | 0.136 (4) | 0.140 (4) | 0.072 (3) | 0.021 (4) | 0.018 (3) | −0.009 (3) |
F15 | 0.151 (5) | 0.168 (5) | 0.075 (3) | −0.009 (4) | −0.002 (3) | −0.002 (3) |
F16 | 0.198 (5) | 0.190 (5) | 0.068 (3) | −0.081 (4) | 0.060 (3) | −0.049 (3) |
F17 | 0.174 (5) | 0.185 (6) | 0.142 (4) | −0.051 (4) | 0.109 (4) | −0.078 (4) |
F18 | 0.108 (3) | 0.141 (4) | 0.114 (3) | −0.012 (3) | 0.073 (3) | −0.031 (3) |
Pd1—P1 | 2.2826 (16) | C13—C18 | 1.366 (9) |
Pd1—S2 | 2.3153 (14) | C14—F14 | 1.333 (8) |
Pd1—S1 | 2.3586 (13) | C14—C15 | 1.397 (9) |
Pd1—S1i | 2.3768 (14) | C15—C16 | 1.334 (12) |
P1—C25 | 1.810 (8) | C15—F15 | 1.358 (10) |
P1—C19 | 1.834 (7) | C16—C17 | 1.335 (12) |
P1—C13 | 1.846 (6) | C16—F16 | 1.338 (8) |
S1—C1 | 1.765 (6) | C17—F17 | 1.331 (9) |
S1—Pd1i | 2.3768 (14) | C17—C18 | 1.385 (10) |
S2—C7 | 1.765 (5) | C18—F18 | 1.338 (8) |
C1—C2 | 1.380 (8) | C19—C24 | 1.346 (12) |
C1—C6 | 1.386 (7) | C19—C20 | 1.406 (11) |
C2—F2 | 1.338 (7) | C20—C21 | 1.394 (13) |
C2—C3 | 1.376 (10) | C20—H20A | 0.9300 |
C3—F3 | 1.338 (8) | C21—C22 | 1.36 (2) |
C3—C4 | 1.355 (11) | C21—H21A | 0.9300 |
C4—F4 | 1.344 (8) | C22—C23 | 1.36 (2) |
C4—C5 | 1.372 (11) | C22—H22A | 0.9300 |
C5—F5 | 1.330 (8) | C23—C24 | 1.392 (11) |
C5—C6 | 1.382 (9) | C23—H23A | 0.9300 |
C6—F6 | 1.334 (7) | C24—H24A | 0.9300 |
C7—C12 | 1.381 (8) | C25—C30 | 1.375 (10) |
C7—C8 | 1.385 (7) | C25—C26 | 1.377 (10) |
C8—F8 | 1.357 (7) | C26—C27 | 1.387 (17) |
C8—C9 | 1.385 (8) | C26—H26A | 0.9300 |
C9—F9 | 1.334 (7) | C27—C28 | 1.34 (2) |
C9—C10 | 1.347 (9) | C27—H27A | 0.9300 |
C10—F10 | 1.341 (7) | C28—C29 | 1.337 (17) |
C10—C11 | 1.348 (9) | C28—H28A | 0.9300 |
C11—F11 | 1.342 (7) | C29—C30 | 1.414 (11) |
C11—C12 | 1.379 (8) | C29—H29A | 0.9300 |
C12—F12 | 1.338 (6) | C30—H30A | 0.9300 |
C13—C14 | 1.362 (9) | ||
P1—Pd1—S2 | 89.15 (5) | C14—C13—P1 | 127.2 (6) |
P1—Pd1—S1 | 92.99 (5) | C18—C13—P1 | 117.9 (6) |
S2—Pd1—S1 | 177.51 (6) | F14—C14—C13 | 121.7 (7) |
P1—Pd1—S1i | 174.80 (5) | F14—C14—C15 | 116.2 (8) |
S2—Pd1—S1i | 95.64 (5) | C13—C14—C15 | 122.1 (8) |
S1—Pd1—S1i | 82.26 (5) | C16—C15—F15 | 121.6 (8) |
C25—P1—C19 | 110.4 (4) | C16—C15—C14 | 120.3 (9) |
C25—P1—C13 | 106.8 (3) | F15—C15—C14 | 118.0 (9) |
C19—P1—C13 | 101.3 (3) | C17—C16—C15 | 119.8 (8) |
C25—P1—Pd1 | 106.9 (2) | C17—C16—F16 | 121.0 (10) |
C19—P1—Pd1 | 113.9 (3) | C15—C16—F16 | 119.2 (11) |
C13—P1—Pd1 | 117.3 (2) | F17—C17—C16 | 120.7 (8) |
C1—S1—Pd1 | 107.78 (17) | F17—C17—C18 | 119.8 (10) |
C1—S1—Pd1i | 104.12 (18) | C16—C17—C18 | 119.5 (9) |
Pd1—S1—Pd1i | 97.74 (5) | F18—C18—C13 | 119.3 (6) |
C7—S2—Pd1 | 106.48 (17) | F18—C18—C17 | 117.3 (8) |
C2—C1—C6 | 116.2 (6) | C13—C18—C17 | 123.4 (8) |
C2—C1—S1 | 119.4 (5) | C24—C19—C20 | 121.4 (8) |
C6—C1—S1 | 124.3 (5) | C24—C19—P1 | 119.6 (7) |
F2—C2—C3 | 117.6 (7) | C20—C19—P1 | 118.9 (8) |
F2—C2—C1 | 119.8 (6) | C21—C20—C19 | 118.0 (11) |
C3—C2—C1 | 122.6 (7) | C21—C20—H20A | 121.0 |
F3—C3—C4 | 121.4 (9) | C19—C20—H20A | 121.0 |
F3—C3—C2 | 119.7 (9) | C22—C21—C20 | 118.1 (12) |
C4—C3—C2 | 118.8 (8) | C22—C21—H21A | 121.0 |
F4—C4—C3 | 120.6 (10) | C20—C21—H21A | 121.0 |
F4—C4—C5 | 117.9 (10) | C23—C22—C21 | 124.9 (12) |
C3—C4—C5 | 121.5 (8) | C23—C22—H22A | 117.6 |
F5—C5—C4 | 121.8 (8) | C21—C22—H22A | 117.6 |
F5—C5—C6 | 120.0 (9) | C22—C23—C24 | 116.7 (13) |
C4—C5—C6 | 118.1 (7) | C22—C23—H23A | 121.7 |
F6—C6—C5 | 117.8 (6) | C24—C23—H23A | 121.7 |
F6—C6—C1 | 119.7 (6) | C19—C24—C23 | 120.9 (11) |
C5—C6—C1 | 122.4 (7) | C19—C24—H24A | 119.6 |
C12—C7—C8 | 114.9 (5) | C23—C24—H24A | 119.6 |
C12—C7—S2 | 121.7 (5) | C30—C25—C26 | 116.7 (9) |
C8—C7—S2 | 123.3 (5) | C30—C25—P1 | 117.1 (6) |
F8—C8—C7 | 119.4 (6) | C26—C25—P1 | 126.2 (8) |
F8—C8—C9 | 118.1 (6) | C25—C26—C27 | 121.5 (12) |
C7—C8—C9 | 122.5 (6) | C25—C26—H26A | 119.3 |
F9—C9—C10 | 120.8 (7) | C27—C26—H26A | 119.3 |
F9—C9—C8 | 119.4 (7) | C28—C27—C26 | 120.0 (18) |
C10—C9—C8 | 119.8 (6) | C28—C27—H27A | 120.0 |
F10—C10—C9 | 119.2 (7) | C26—C27—H27A | 120.0 |
F10—C10—C11 | 120.8 (7) | C29—C28—C27 | 121 (2) |
C9—C10—C11 | 120.1 (6) | C29—C28—H28A | 119.3 |
F11—C11—C10 | 120.8 (7) | C27—C28—H28A | 119.3 |
F11—C11—C12 | 119.2 (7) | C28—C29—C30 | 118.9 (14) |
C10—C11—C12 | 120.0 (6) | C28—C29—H29A | 120.6 |
F12—C12—C11 | 117.9 (6) | C30—C29—H29A | 120.6 |
F12—C12—C7 | 119.4 (5) | C25—C30—C29 | 121.5 (10) |
C11—C12—C7 | 122.7 (6) | C25—C30—H30A | 119.2 |
C14—C13—C18 | 114.9 (7) | C29—C30—H30A | 119.2 |
S2—Pd1—P1—C25 | −107.5 (3) | C8—C7—C12—F12 | 179.1 (4) |
S1—Pd1—P1—C25 | 73.8 (3) | S2—C7—C12—F12 | −4.6 (7) |
S2—Pd1—P1—C19 | 130.3 (3) | C8—C7—C12—C11 | 0.2 (8) |
S1—Pd1—P1—C19 | −48.4 (3) | S2—C7—C12—C11 | 176.4 (4) |
S2—Pd1—P1—C13 | 12.3 (3) | C25—P1—C13—C14 | 4.0 (7) |
S1—Pd1—P1—C13 | −166.4 (3) | C19—P1—C13—C14 | 119.6 (7) |
P1—Pd1—S1—C1 | −70.3 (2) | Pd1—P1—C13—C14 | −115.8 (6) |
S1i—Pd1—S1—C1 | 107.6 (2) | C25—P1—C13—C18 | −174.1 (5) |
P1—Pd1—S1—Pd1i | −177.88 (6) | C19—P1—C13—C18 | −58.5 (6) |
S1i—Pd1—S1—Pd1i | 0.0 | Pd1—P1—C13—C18 | 66.1 (5) |
P1—Pd1—S2—C7 | 154.5 (2) | C18—C13—C14—F14 | 179.1 (6) |
S1i—Pd1—S2—C7 | −23.5 (2) | P1—C13—C14—F14 | 1.0 (10) |
Pd1—S1—C1—C2 | 125.7 (4) | C18—C13—C14—C15 | 0.5 (10) |
Pd1i—S1—C1—C2 | −131.3 (4) | P1—C13—C14—C15 | −177.6 (6) |
Pd1—S1—C1—C6 | −57.4 (5) | F14—C14—C15—C16 | −178.8 (7) |
Pd1i—S1—C1—C6 | 45.7 (5) | C13—C14—C15—C16 | −0.1 (12) |
C6—C1—C2—F2 | 175.3 (5) | F14—C14—C15—F15 | 2.4 (11) |
S1—C1—C2—F2 | −7.5 (7) | C13—C14—C15—F15 | −179.0 (7) |
C6—C1—C2—C3 | −3.6 (8) | F15—C15—C16—C17 | 179.4 (7) |
S1—C1—C2—C3 | 173.5 (5) | C14—C15—C16—C17 | 0.6 (13) |
F2—C2—C3—F3 | 6.0 (10) | F15—C15—C16—F16 | −1.8 (13) |
C1—C2—C3—F3 | −175.0 (6) | C14—C15—C16—F16 | 179.4 (7) |
F2—C2—C3—C4 | −176.8 (7) | C15—C16—C17—F17 | −178.6 (7) |
C1—C2—C3—C4 | 2.2 (10) | F16—C16—C17—F17 | 2.7 (12) |
F3—C3—C4—F4 | −3.0 (12) | C15—C16—C17—C18 | −1.4 (13) |
C2—C3—C4—F4 | 179.8 (6) | F16—C16—C17—C18 | 179.8 (7) |
F3—C3—C4—C5 | −179.5 (7) | C14—C13—C18—F18 | 179.5 (6) |
C2—C3—C4—C5 | 3.3 (12) | P1—C13—C18—F18 | −2.2 (8) |
F4—C4—C5—F5 | −1.3 (12) | C14—C13—C18—C17 | −1.4 (10) |
C3—C4—C5—F5 | 175.3 (7) | P1—C13—C18—C17 | 176.9 (5) |
F4—C4—C5—C6 | 176.5 (6) | F17—C17—C18—F18 | −1.8 (10) |
C3—C4—C5—C6 | −7.0 (12) | C16—C17—C18—F18 | −179.0 (7) |
F5—C5—C6—F6 | −0.1 (9) | F17—C17—C18—C13 | 179.1 (6) |
C4—C5—C6—F6 | −177.9 (6) | C16—C17—C18—C13 | 1.9 (11) |
F5—C5—C6—C1 | −176.8 (6) | C25—P1—C19—C24 | −130.6 (7) |
C4—C5—C6—C1 | 5.4 (10) | C13—P1—C19—C24 | 116.6 (7) |
C2—C1—C6—F6 | −176.8 (5) | Pd1—P1—C19—C24 | −10.3 (8) |
S1—C1—C6—F6 | 6.1 (8) | C25—P1—C19—C20 | 52.5 (7) |
C2—C1—C6—C5 | −0.2 (9) | C13—P1—C19—C20 | −60.4 (7) |
S1—C1—C6—C5 | −177.2 (5) | Pd1—P1—C19—C20 | 172.7 (5) |
Pd1—S2—C7—C12 | 122.6 (4) | C24—C19—C20—C21 | 1.7 (14) |
Pd1—S2—C7—C8 | −61.5 (5) | P1—C19—C20—C21 | 178.6 (8) |
C12—C7—C8—F8 | 179.7 (5) | C19—C20—C21—C22 | −0.6 (18) |
S2—C7—C8—F8 | 3.5 (7) | C20—C21—C22—C23 | −2 (2) |
C12—C7—C8—C9 | −0.9 (8) | C21—C22—C23—C24 | 3 (2) |
S2—C7—C8—C9 | −177.1 (4) | C20—C19—C24—C23 | −0.5 (15) |
F8—C8—C9—F9 | 0.3 (8) | P1—C19—C24—C23 | −177.4 (8) |
C7—C8—C9—F9 | −179.1 (5) | C22—C23—C24—C19 | −1.6 (18) |
F8—C8—C9—C10 | −179.9 (6) | C19—P1—C25—C30 | 167.1 (5) |
C7—C8—C9—C10 | 0.7 (9) | C13—P1—C25—C30 | −83.7 (6) |
F9—C9—C10—F10 | −0.1 (9) | Pd1—P1—C25—C30 | 42.6 (6) |
C8—C9—C10—F10 | −179.9 (5) | C19—P1—C25—C26 | −11.1 (7) |
F9—C9—C10—C11 | −179.9 (5) | C13—P1—C25—C26 | 98.2 (6) |
C8—C9—C10—C11 | 0.4 (10) | Pd1—P1—C25—C26 | −135.5 (6) |
F10—C10—C11—F11 | 0.3 (9) | C30—C25—C26—C27 | 4.4 (13) |
C9—C10—C11—F11 | −180.0 (6) | P1—C25—C26—C27 | −177.5 (9) |
F10—C10—C11—C12 | 179.2 (5) | C25—C26—C27—C28 | −5 (2) |
C9—C10—C11—C12 | −1.1 (9) | C26—C27—C28—C29 | 3 (3) |
F11—C11—C12—F12 | 0.8 (8) | C27—C28—C29—C30 | 0 (2) |
C10—C11—C12—F12 | −178.1 (5) | C26—C25—C30—C29 | −1.2 (11) |
F11—C11—C12—C7 | 179.7 (5) | P1—C25—C30—C29 | −179.5 (6) |
C10—C11—C12—C7 | 0.8 (9) | C28—C29—C30—C25 | −1.1 (14) |
Symmetry code: (i) −x+1/2, −y+3/2, −z. |