Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536801006560/cv6019sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S1600536801006560/cv6019Isup2.hkl |
CCDC reference: 170265
Key indicators
- Single-crystal X-ray study
- T = 293 K
- Mean (C-C) = 0.009 Å
- R factor = 0.034
- wR factor = 0.089
- Data-to-parameter ratio = 12.4
checkCIF results
No syntax errors found ADDSYM reports no extra symmetry
Alert Level C:
PLAT_320 Alert C Check Hybridisation of C(1) in main residue ? PLAT_320 Alert C Check Hybridisation of C(5) in main residue ? General Notes
FORMU_01 There is a discrepancy between the atom counts in the _chemical_formula_sum and _chemical_formula_moiety. This is usually due to the moiety formula being in the wrong format. Atom count from _chemical_formula_sum: C34 H40 Ag1 F6 P1 S4 Atom count from _chemical_formula_moiety:C34 H40 Ag1 F1 P6 S4 REFLT_03 From the CIF: _diffrn_reflns_theta_max 25.03 From the CIF: _reflns_number_total 5142 Count of symmetry unique reflns 3255 Completeness (_total/calc) 157.97% TEST3: Check Friedels for noncentro structure Estimate of Friedel pairs measured 1887 Fraction of Friedel pairs measured 0.580 Are heavy atom types Z>Si present yes Please check that the estimate of the number of Friedel pairs is correct. If it is not, please give the correct count in the _publ_section_exptl_refinement section of the submitted CIF.
0 Alert Level A = Potentially serious problem
0 Alert Level B = Potential problem
2 Alert Level C = Please check
Data collection: SMART (Bruker, 1998); cell refinement: SMART; data reduction: SAINT (Bruker, 1998); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); software used to prepare material for publication: XP (Bruker, 1998).
[Ag(C17H20S2)2]PF6 | F(000) = 848 |
Mr = 829.74 | Dx = 1.502 Mg m−3 |
Monoclinic, Pc | Mo Kα radiation, λ = 0.71073 Å |
a = 9.3876 (10) Å | Cell parameters from 7412 reflections |
b = 10.2213 (11) Å | θ = 2.0–25.0° |
c = 19.640 (2) Å | µ = 0.87 mm−1 |
β = 103.161 (2)° | T = 293 K |
V = 1835.0 (3) Å3 | Prism, colorless |
Z = 2 | 0.30 × 0.20 × 0.20 mm |
Bruker SMART1000 diffractometer | 4522 reflections with I > 2σ(I) |
ω scans | Rint = 0.022 |
Absorption correction: multi-scan [SAINT (Bruker 1998) and SADABS (Sheldrick, 1997)] | θmax = 25.0° |
Tmin = 0.779, Tmax = 0.845 | h = −11→8 |
7412 measured reflections | k = −12→9 |
5142 independent reflections | l = −22→23 |
Refinement on F2 | H-atom parameters constrained |
R[F2 > 2σ(F2)] = 0.034 | w = 1/[σ2(Fo2) + (0.0554P)2 + 0.1885P] where P = (Fo2 + 2Fc2)/3 |
wR(F2) = 0.089 | (Δ/σ)max = 0.019 |
S = 1.02 | Δρmax = 0.52 e Å−3 |
5142 reflections | Δρmin = −0.35 e Å−3 |
415 parameters |
Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes. |
Refinement. Full-MATRIX |
x | y | z | Uiso*/Ueq | ||
Ag1 | 0.82775 (2) | 0.80911 (4) | 0.101332 (17) | 0.06501 (13) | |
S1 | 0.65042 (15) | 0.83982 (12) | 0.18588 (7) | 0.0579 (3) | |
S2 | 1.01890 (15) | 0.98886 (14) | 0.09152 (8) | 0.0675 (3) | |
S3 | 0.66147 (15) | 0.81643 (12) | −0.02914 (7) | 0.0579 (3) | |
S4 | 0.90410 (16) | 0.56369 (12) | 0.11148 (7) | 0.0623 (3) | |
C1 | 0.8115 (6) | 1.3294 (4) | 0.1566 (3) | 0.0620 (13) | |
H1A | 0.9085 | 1.3122 | 0.1851 | 0.074* | |
H1B | 0.8107 | 1.3015 | 0.1093 | 0.074* | |
C2 | 0.7024 (5) | 1.2474 (5) | 0.1839 (3) | 0.0568 (12) | |
H2A | 0.6039 | 1.2691 | 0.1587 | 0.068* | |
H2B | 0.7103 | 1.2666 | 0.2330 | 0.068* | |
C3 | 0.7305 (5) | 1.1024 (5) | 0.1751 (3) | 0.0587 (12) | |
H3A | 0.7420 | 1.0875 | 0.1279 | 0.070* | |
H3B | 0.8218 | 1.0786 | 0.2070 | 0.070* | |
C4 | 0.6110 (5) | 1.0145 (5) | 0.1884 (3) | 0.0622 (13) | |
H4A | 0.5218 | 1.0331 | 0.1538 | 0.075* | |
H4B | 0.5932 | 1.0355 | 0.2340 | 0.075* | |
C5 | 1.1425 (7) | 0.9614 (6) | 0.0341 (3) | 0.0732 (15) | |
H5A | 1.0869 | 0.9679 | −0.0139 | 0.088* | |
H5B | 1.2146 | 1.0310 | 0.0416 | 0.088* | |
C6 | 0.2207 (9) | 0.8343 (6) | 0.0428 (4) | 0.0859 (19) | |
H6A | 0.1505 | 0.7637 | 0.0304 | 0.103* | |
H6B | 0.2709 | 0.8232 | 0.0914 | 0.103* | |
C7 | 0.3346 (7) | 0.8268 (6) | −0.0044 (3) | 0.0800 (17) | |
H7A | 0.2835 | 0.8335 | −0.0531 | 0.096* | |
H7B | 0.4013 | 0.9003 | 0.0062 | 0.096* | |
C8 | 0.4188 (7) | 0.7043 (6) | 0.0062 (3) | 0.0781 (16) | |
H8A | 0.3507 | 0.6316 | −0.0014 | 0.094* | |
H8B | 0.4729 | 0.7007 | 0.0545 | 0.094* | |
C9 | 0.5260 (7) | 0.6862 (6) | −0.0408 (4) | 0.0760 (16) | |
H9A | 0.4724 | 0.6844 | −0.0892 | 0.091* | |
H9B | 0.5755 | 0.6029 | −0.0303 | 0.091* | |
C10 | 0.7846 (5) | 0.4737 (5) | 0.1560 (3) | 0.0609 (13) | |
H10A | 0.7998 | 0.5048 | 0.2038 | 0.073* | |
H10B | 0.6835 | 0.4909 | 0.1329 | 0.073* | |
C11 | 0.7558 (6) | 0.8124 (4) | 0.2727 (3) | 0.0522 (11) | |
C12 | 0.6872 (7) | 0.7749 (6) | 0.3243 (3) | 0.0745 (16) | |
H12A | 0.5865 | 0.7617 | 0.3142 | 0.089* | |
C13 | 0.7713 (9) | 0.7568 (8) | 0.3927 (4) | 0.0879 (19) | |
H13A | 0.7247 | 0.7338 | 0.4280 | 0.105* | |
C14 | 0.9164 (8) | 0.7716 (6) | 0.4082 (3) | 0.0797 (17) | |
H14A | 0.9703 | 0.7572 | 0.4535 | 0.096* | |
C15 | 0.9855 (7) | 0.8083 (5) | 0.3566 (3) | 0.0742 (15) | |
H15A | 1.0864 | 0.8198 | 0.3672 | 0.089* | |
C16 | 0.9063 (6) | 0.8281 (5) | 0.2897 (3) | 0.0632 (14) | |
H16A | 0.9543 | 0.8525 | 0.2551 | 0.076* | |
C17 | 1.1472 (5) | 1.0094 (4) | 0.1724 (3) | 0.0538 (11) | |
C22 | 1.1966 (7) | 1.1346 (6) | 0.1939 (4) | 0.0796 (17) | |
H22A | 1.1653 | 1.2067 | 0.1655 | 0.095* | |
C21 | 1.2938 (9) | 1.1502 (8) | 0.2586 (5) | 0.096 (2) | |
H21A | 1.3266 | 1.2336 | 0.2734 | 0.115* | |
C20 | 1.3409 (7) | 1.0475 (8) | 0.3000 (4) | 0.0859 (18) | |
H20A | 1.4048 | 1.0599 | 0.3432 | 0.103* | |
C19 | 1.2947 (6) | 0.9249 (6) | 0.2784 (3) | 0.0694 (14) | |
H19A | 1.3287 | 0.8535 | 0.3069 | 0.083* | |
C18 | 1.1999 (6) | 0.9054 (5) | 0.2161 (3) | 0.0600 (12) | |
H18A | 1.1697 | 0.8209 | 0.2025 | 0.072* | |
C23 | 1.0804 (5) | 0.5416 (4) | 0.1671 (3) | 0.0525 (11) | |
C24 | 1.1081 (7) | 0.5607 (5) | 0.2386 (3) | 0.0673 (14) | |
H24A | 1.0319 | 0.5811 | 0.2598 | 0.081* | |
C25 | 1.2486 (9) | 0.5493 (6) | 0.2782 (4) | 0.089 (2) | |
H25A | 1.2657 | 0.5616 | 0.3263 | 0.106* | |
C26 | 1.3623 (9) | 0.5210 (7) | 0.2494 (6) | 0.105 (3) | |
H26A | 1.4569 | 0.5145 | 0.2769 | 0.126* | |
C27 | 1.3339 (8) | 0.5017 (8) | 0.1771 (6) | 0.109 (3) | |
H27A | 1.4110 | 0.4825 | 0.1563 | 0.131* | |
C28 | 1.1946 (7) | 0.5103 (6) | 0.1360 (3) | 0.0743 (15) | |
H28A | 1.1771 | 0.4955 | 0.0881 | 0.089* | |
C29 | 0.7866 (6) | 0.7618 (5) | −0.0782 (2) | 0.0542 (11) | |
C30 | 0.8508 (7) | 0.8559 (5) | −0.1128 (3) | 0.0655 (14) | |
H30A | 0.8211 | 0.9427 | −0.1128 | 0.079* | |
C31 | 0.9583 (8) | 0.8215 (6) | −0.1473 (3) | 0.0708 (16) | |
H31A | 1.0007 | 0.8854 | −0.1699 | 0.085* | |
C32 | 1.0026 (8) | 0.6954 (6) | −0.1483 (4) | 0.0799 (18) | |
H32A | 1.0762 | 0.6730 | −0.1708 | 0.096* | |
C33 | 0.9384 (9) | 0.6019 (6) | −0.1160 (4) | 0.094 (2) | |
H33A | 0.9669 | 0.5151 | −0.1179 | 0.113* | |
C34 | 0.8332 (8) | 0.6325 (5) | −0.0808 (3) | 0.0759 (16) | |
H34A | 0.7923 | 0.5670 | −0.0584 | 0.091* | |
P1 | 0.40746 (18) | 0.28600 (16) | 0.99063 (8) | 0.0720 (4) | |
F1 | 0.4883 (6) | 0.3998 (5) | 1.0371 (3) | 0.143 (2) | |
F2 | 0.2686 (5) | 0.3755 (6) | 0.9679 (3) | 0.1375 (19) | |
F3 | 0.3617 (8) | 0.2291 (6) | 1.0564 (2) | 0.147 (2) | |
F4 | 0.3258 (7) | 0.1702 (5) | 0.9455 (3) | 0.1329 (19) | |
F5 | 0.5460 (7) | 0.1968 (5) | 1.0122 (3) | 0.142 (2) | |
F6 | 0.4604 (7) | 0.3358 (6) | 0.9245 (3) | 0.151 (2) |
U11 | U22 | U33 | U12 | U13 | U23 | |
Ag1 | 0.0744 (3) | 0.0620 (2) | 0.0589 (2) | 0.0054 (2) | 0.01552 (18) | 0.0024 (2) |
S1 | 0.0532 (7) | 0.0571 (7) | 0.0645 (8) | −0.0050 (5) | 0.0158 (6) | −0.0020 (6) |
S2 | 0.0499 (7) | 0.0826 (9) | 0.0721 (8) | 0.0012 (6) | 0.0185 (6) | 0.0160 (7) |
S3 | 0.0649 (8) | 0.0582 (7) | 0.0519 (7) | 0.0121 (6) | 0.0163 (6) | 0.0036 (5) |
S4 | 0.0703 (8) | 0.0547 (7) | 0.0600 (7) | 0.0078 (6) | 0.0107 (6) | 0.0086 (6) |
C1 | 0.059 (3) | 0.056 (3) | 0.071 (3) | 0.007 (2) | 0.015 (3) | 0.003 (2) |
C2 | 0.054 (3) | 0.054 (3) | 0.059 (3) | 0.004 (2) | 0.006 (2) | 0.004 (2) |
C3 | 0.051 (3) | 0.057 (3) | 0.069 (3) | 0.008 (2) | 0.014 (2) | 0.002 (2) |
C4 | 0.043 (3) | 0.072 (3) | 0.072 (3) | 0.010 (2) | 0.015 (2) | 0.010 (3) |
C5 | 0.068 (4) | 0.088 (4) | 0.066 (3) | −0.004 (3) | 0.020 (3) | 0.014 (3) |
C6 | 0.101 (5) | 0.096 (5) | 0.062 (3) | 0.006 (4) | 0.022 (4) | −0.001 (3) |
C7 | 0.085 (5) | 0.080 (4) | 0.078 (4) | −0.001 (3) | 0.025 (4) | −0.002 (3) |
C8 | 0.075 (4) | 0.084 (4) | 0.079 (4) | −0.006 (3) | 0.025 (3) | −0.001 (3) |
C9 | 0.066 (4) | 0.087 (4) | 0.080 (4) | −0.009 (3) | 0.025 (3) | −0.004 (3) |
C10 | 0.047 (3) | 0.054 (3) | 0.082 (4) | 0.005 (2) | 0.016 (3) | 0.003 (2) |
C11 | 0.054 (3) | 0.045 (2) | 0.062 (3) | 0.0037 (19) | 0.023 (2) | 0.000 (2) |
C12 | 0.063 (4) | 0.083 (4) | 0.084 (4) | −0.004 (3) | 0.028 (3) | 0.010 (3) |
C13 | 0.103 (6) | 0.104 (5) | 0.066 (4) | 0.005 (4) | 0.039 (4) | 0.021 (4) |
C14 | 0.093 (5) | 0.072 (4) | 0.070 (4) | 0.012 (3) | 0.011 (4) | 0.003 (3) |
C15 | 0.063 (4) | 0.081 (4) | 0.077 (4) | 0.010 (3) | 0.012 (3) | 0.000 (3) |
C16 | 0.053 (3) | 0.068 (3) | 0.072 (4) | 0.003 (2) | 0.022 (3) | −0.002 (3) |
C17 | 0.046 (3) | 0.057 (3) | 0.065 (3) | 0.001 (2) | 0.026 (2) | 0.010 (2) |
C22 | 0.068 (4) | 0.063 (3) | 0.117 (5) | 0.010 (3) | 0.040 (4) | 0.008 (3) |
C21 | 0.096 (6) | 0.086 (5) | 0.116 (6) | −0.021 (4) | 0.047 (5) | −0.045 (5) |
C20 | 0.075 (4) | 0.115 (6) | 0.074 (4) | −0.003 (4) | 0.030 (3) | −0.016 (4) |
C19 | 0.064 (3) | 0.085 (4) | 0.062 (3) | 0.005 (3) | 0.021 (3) | 0.002 (3) |
C18 | 0.060 (3) | 0.062 (3) | 0.063 (3) | −0.005 (2) | 0.027 (3) | 0.003 (2) |
C23 | 0.057 (3) | 0.039 (2) | 0.064 (3) | 0.0033 (19) | 0.018 (2) | 0.003 (2) |
C24 | 0.081 (4) | 0.051 (3) | 0.067 (3) | −0.002 (2) | 0.011 (3) | −0.002 (2) |
C25 | 0.108 (6) | 0.062 (3) | 0.080 (4) | −0.014 (4) | −0.011 (4) | 0.002 (3) |
C26 | 0.063 (5) | 0.084 (5) | 0.152 (8) | −0.008 (3) | −0.005 (5) | 0.024 (5) |
C27 | 0.060 (5) | 0.105 (5) | 0.169 (9) | 0.016 (4) | 0.043 (5) | 0.029 (6) |
C28 | 0.076 (4) | 0.074 (4) | 0.080 (4) | 0.010 (3) | 0.032 (3) | 0.012 (3) |
C29 | 0.068 (3) | 0.057 (3) | 0.039 (2) | 0.006 (2) | 0.016 (2) | 0.002 (2) |
C30 | 0.079 (4) | 0.057 (3) | 0.060 (3) | −0.005 (3) | 0.014 (3) | 0.003 (3) |
C31 | 0.083 (4) | 0.075 (4) | 0.062 (3) | −0.011 (3) | 0.033 (3) | 0.003 (3) |
C32 | 0.091 (5) | 0.087 (4) | 0.076 (4) | 0.004 (3) | 0.049 (4) | −0.009 (3) |
C33 | 0.139 (6) | 0.062 (3) | 0.099 (5) | 0.025 (4) | 0.062 (5) | −0.003 (3) |
C34 | 0.104 (5) | 0.053 (3) | 0.083 (4) | 0.008 (3) | 0.047 (4) | 0.008 (3) |
P1 | 0.0735 (10) | 0.0870 (10) | 0.0523 (8) | −0.0103 (8) | 0.0079 (7) | 0.0002 (7) |
F1 | 0.164 (5) | 0.106 (3) | 0.122 (3) | −0.052 (3) | −0.044 (3) | 0.016 (3) |
F2 | 0.093 (3) | 0.172 (5) | 0.133 (4) | 0.041 (3) | −0.003 (3) | −0.037 (4) |
F3 | 0.206 (6) | 0.159 (4) | 0.084 (3) | −0.084 (4) | 0.053 (3) | −0.007 (3) |
F4 | 0.157 (5) | 0.128 (4) | 0.093 (3) | −0.013 (3) | −0.013 (3) | −0.034 (3) |
F5 | 0.141 (5) | 0.162 (5) | 0.107 (3) | 0.049 (3) | −0.003 (3) | 0.026 (3) |
F6 | 0.135 (4) | 0.230 (6) | 0.097 (3) | 0.043 (4) | 0.045 (3) | 0.075 (4) |
Ag1—S4 | 2.6040 (13) | C13—C14 | 1.335 (10) |
Ag1—S2 | 2.6059 (15) | C13—H13A | 0.9300 |
Ag1—S1 | 2.6241 (14) | C14—C15 | 1.373 (9) |
Ag1—S3 | 2.6809 (13) | C14—H14A | 0.9300 |
S1—C11 | 1.788 (6) | C15—C16 | 1.370 (9) |
S1—C4 | 1.827 (5) | C15—H15A | 0.9300 |
S2—C17 | 1.774 (5) | C16—H16A | 0.9300 |
S2—C5 | 1.814 (6) | C17—C18 | 1.385 (7) |
S3—C29 | 1.770 (5) | C17—C22 | 1.394 (8) |
S3—C9 | 1.819 (6) | C22—C21 | 1.396 (11) |
S4—C23 | 1.778 (5) | C22—H22A | 0.9300 |
S4—C10 | 1.821 (5) | C21—C20 | 1.339 (11) |
C1—C10i | 1.497 (6) | C21—H21A | 0.9300 |
C1—C2 | 1.513 (7) | C20—C19 | 1.363 (9) |
C1—H1A | 0.9700 | C20—H20A | 0.9300 |
C1—H1B | 0.9700 | C19—C18 | 1.353 (8) |
C2—C3 | 1.522 (7) | C19—H19A | 0.9300 |
C2—H2A | 0.9700 | C18—H18A | 0.9300 |
C2—H2B | 0.9700 | C23—C24 | 1.381 (7) |
C3—C4 | 1.506 (7) | C23—C28 | 1.387 (7) |
C3—H3A | 0.9700 | C24—C25 | 1.376 (9) |
C3—H3B | 0.9700 | C24—H24A | 0.9300 |
C4—H4A | 0.9700 | C25—C26 | 1.348 (11) |
C4—H4B | 0.9700 | C25—H25A | 0.9300 |
C5—C6ii | 1.483 (8) | C26—C27 | 1.398 (11) |
C5—H5A | 0.9700 | C26—H26A | 0.9300 |
C5—H5B | 0.9700 | C27—C28 | 1.374 (10) |
C6—C5iii | 1.483 (8) | C27—H27A | 0.9300 |
C6—C7 | 1.567 (9) | C28—H28A | 0.9300 |
C6—H6A | 0.9700 | C29—C30 | 1.392 (8) |
C6—H6B | 0.9700 | C29—C34 | 1.397 (8) |
C7—C8 | 1.470 (9) | C30—C31 | 1.382 (8) |
C7—H7A | 0.9700 | C30—H30A | 0.9300 |
C7—H7B | 0.9700 | C31—C32 | 1.356 (8) |
C8—C9 | 1.523 (9) | C31—H31A | 0.9300 |
C8—H8A | 0.9700 | C32—C33 | 1.360 (9) |
C8—H8B | 0.9700 | C32—H32A | 0.9300 |
C9—H9A | 0.9700 | C33—C34 | 1.365 (8) |
C9—H9B | 0.9700 | C33—H33A | 0.9300 |
C10—C1iv | 1.497 (6) | C34—H34A | 0.9300 |
C10—H10A | 0.9700 | P1—F1 | 1.564 (5) |
C10—H10B | 0.9700 | P1—F3 | 1.564 (5) |
C11—C12 | 1.374 (8) | P1—F5 | 1.566 (5) |
C11—C16 | 1.385 (8) | P1—F2 | 1.572 (5) |
C12—C13 | 1.406 (9) | P1—F4 | 1.570 (5) |
C12—H12A | 0.9300 | P1—F6 | 1.578 (5) |
S4—Ag1—S2 | 120.18 (5) | C13—C12—H12A | 120.5 |
S4—Ag1—S1 | 105.66 (4) | C14—C13—C12 | 121.6 (6) |
S2—Ag1—S1 | 120.61 (5) | C14—C13—H13A | 119.2 |
S4—Ag1—S3 | 100.97 (4) | C12—C13—H13A | 119.2 |
S2—Ag1—S3 | 99.81 (5) | C13—C14—C15 | 119.4 (6) |
S1—Ag1—S3 | 106.64 (4) | C13—C14—H14A | 120.3 |
C11—S1—C4 | 101.5 (2) | C15—C14—H14A | 120.3 |
C11—S1—Ag1 | 106.98 (16) | C16—C15—C14 | 120.3 (6) |
C4—S1—Ag1 | 107.22 (17) | C16—C15—H15A | 119.9 |
C17—S2—C5 | 100.1 (3) | C14—C15—H15A | 119.9 |
C17—S2—Ag1 | 110.84 (15) | C15—C16—C11 | 121.0 (5) |
C5—S2—Ag1 | 119.0 (2) | C15—C16—H16A | 119.5 |
C29—S3—C9 | 103.4 (3) | C11—C16—H16A | 119.5 |
C29—S3—Ag1 | 101.39 (17) | C18—C17—C22 | 118.0 (5) |
C9—S3—Ag1 | 109.7 (2) | C18—C17—S2 | 122.6 (4) |
C23—S4—C10 | 103.3 (2) | C22—C17—S2 | 119.4 (4) |
C23—S4—Ag1 | 111.77 (15) | C21—C22—C17 | 118.9 (6) |
C10—S4—Ag1 | 109.53 (16) | C21—C22—H22A | 120.5 |
C10i—C1—C2 | 115.0 (4) | C17—C22—H22A | 120.5 |
C10i—C1—H1A | 108.5 | C20—C21—C22 | 121.4 (7) |
C2—C1—H1A | 108.5 | C20—C21—H21A | 119.3 |
C10i—C1—H1B | 108.5 | C22—C21—H21A | 119.3 |
C2—C1—H1B | 108.5 | C21—C20—C19 | 119.7 (7) |
H1A—C1—H1B | 107.5 | C21—C20—H20A | 120.2 |
C1—C2—C3 | 110.5 (4) | C19—C20—H20A | 120.2 |
C1—C2—H2A | 109.6 | C18—C19—C20 | 120.9 (6) |
C3—C2—H2A | 109.6 | C18—C19—H19A | 119.6 |
C1—C2—H2B | 109.6 | C20—C19—H19A | 119.6 |
C3—C2—H2B | 109.6 | C19—C18—C17 | 121.1 (5) |
H2A—C2—H2B | 108.1 | C19—C18—H18A | 119.4 |
C4—C3—C2 | 113.9 (4) | C17—C18—H18A | 119.4 |
C4—C3—H3A | 108.8 | C24—C23—C28 | 119.7 (5) |
C2—C3—H3A | 108.8 | C24—C23—S4 | 122.7 (4) |
C4—C3—H3B | 108.8 | C28—C23—S4 | 117.6 (4) |
C2—C3—H3B | 108.8 | C23—C24—C25 | 119.8 (6) |
H3A—C3—H3B | 107.7 | C23—C24—H24A | 120.1 |
C3—C4—S1 | 114.5 (3) | C25—C24—H24A | 120.1 |
C3—C4—H4A | 108.6 | C26—C25—C24 | 122.0 (7) |
S1—C4—H4A | 108.6 | C26—C25—H25A | 119.0 |
C3—C4—H4B | 108.6 | C24—C25—H25A | 119.0 |
S1—C4—H4B | 108.6 | C25—C26—C27 | 118.0 (7) |
H4A—C4—H4B | 107.6 | C25—C26—H26A | 121.0 |
C6ii—C5—S2 | 115.8 (4) | C27—C26—H26A | 121.0 |
C6ii—C5—H5A | 108.3 | C28—C27—C26 | 121.6 (7) |
S2—C5—H5A | 108.3 | C28—C27—H27A | 119.2 |
C6ii—C5—H5B | 108.3 | C26—C27—H27A | 119.2 |
S2—C5—H5B | 108.3 | C27—C28—C23 | 118.9 (6) |
H5A—C5—H5B | 107.4 | C27—C28—H28A | 120.6 |
C5iii—C6—C7 | 111.2 (5) | C23—C28—H28A | 120.6 |
C5iii—C6—H6A | 109.4 | C30—C29—C34 | 117.5 (5) |
C7—C6—H6A | 109.4 | C30—C29—S3 | 117.6 (4) |
C5iii—C6—H6B | 109.4 | C34—C29—S3 | 124.8 (4) |
C7—C6—H6B | 109.4 | C31—C30—C29 | 120.6 (5) |
H6A—C6—H6B | 108.0 | C31—C30—H30A | 119.7 |
C8—C7—C6 | 112.0 (5) | C29—C30—H30A | 119.7 |
C8—C7—H7A | 109.2 | C32—C31—C30 | 120.6 (5) |
C6—C7—H7A | 109.2 | C32—C31—H31A | 119.7 |
C8—C7—H7B | 109.2 | C30—C31—H31A | 119.7 |
C6—C7—H7B | 109.2 | C31—C32—C33 | 119.4 (6) |
H7A—C7—H7B | 107.9 | C31—C32—H32A | 120.3 |
C7—C8—C9 | 115.2 (5) | C33—C32—H32A | 120.3 |
C7—C8—H8A | 108.5 | C34—C33—C32 | 121.6 (5) |
C9—C8—H8A | 108.5 | C34—C33—H33A | 119.2 |
C7—C8—H8B | 108.5 | C32—C33—H33A | 119.2 |
C9—C8—H8B | 108.5 | C33—C34—C29 | 120.3 (5) |
H8A—C8—H8B | 107.5 | C33—C34—H34A | 119.9 |
C8—C9—S3 | 112.0 (4) | C29—C34—H34A | 119.9 |
C8—C9—H9A | 109.2 | F1—P1—F3 | 89.0 (3) |
S3—C9—H9A | 109.2 | F1—P1—F5 | 90.7 (3) |
C8—C9—H9B | 109.2 | F3—P1—F5 | 85.9 (4) |
S3—C9—H9B | 109.2 | F1—P1—F2 | 89.6 (3) |
H9A—C9—H9B | 107.9 | F3—P1—F2 | 94.8 (4) |
C1iv—C10—S4 | 112.3 (4) | F5—P1—F2 | 179.2 (3) |
C1iv—C10—H10A | 109.1 | F1—P1—F4 | 178.7 (3) |
S4—C10—H10A | 109.1 | F3—P1—F4 | 89.8 (3) |
C1iv—C10—H10B | 109.1 | F5—P1—F4 | 89.0 (3) |
S4—C10—H10B | 109.1 | F2—P1—F4 | 90.7 (3) |
H10A—C10—H10B | 107.9 | F1—P1—F6 | 92.2 (3) |
C12—C11—C16 | 118.6 (5) | F3—P1—F6 | 176.4 (4) |
C12—C11—S1 | 119.8 (4) | F5—P1—F6 | 90.7 (3) |
C16—C11—S1 | 121.6 (4) | F2—P1—F6 | 88.6 (3) |
C11—C12—C13 | 119.1 (6) | F4—P1—F6 | 89.0 (4) |
C11—C12—H12A | 120.5 |
Symmetry codes: (i) x, y+1, z; (ii) x+1, y, z; (iii) x−1, y, z; (iv) x, y−1, z. |
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