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The title compound, [Ag(P(p-tol)3}4]PF6 or [Ag(C21H21P)4]PF6, crystallizes with parts of two independent formula units in the asymmetric unit. The Ag—P distances range between 2.5665 (13) and 2.6142 (7) Å, and the P—Ag—P angles between 109.310 (18) and 109.632 (18)°, indicating a distorted tetrahedral geometry. Both Ag atoms and both PF6− anions lie on threefold rotation axes.
Supporting information
CCDC reference: 630186
Key indicators
- Single-crystal X-ray study
- T = 101 K
- Mean (Wave) = 0.000 Å
- R factor = 0.038
- wR factor = 0.102
- Data-to-parameter ratio = 21.3
checkCIF/PLATON results
No syntax errors found
Alert level G
REFLT03_ALERT_4_G 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.
From the CIF: _diffrn_reflns_theta_max 28.35
From the CIF: _reflns_number_total 12538
Count of symmetry unique reflns 6684
Completeness (_total/calc) 187.58%
TEST3: Check Friedels for noncentro structure
Estimate of Friedel pairs measured 5854
Fraction of Friedel pairs measured 0.876
Are heavy atom types Z>Si present yes
0 ALERT level A = In general: serious problem
0 ALERT level B = Potentially serious problem
0 ALERT level C = Check and explain
1 ALERT level G = General alerts; check
0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
0 ALERT type 2 Indicator that the structure model may be wrong or deficient
0 ALERT type 3 Indicator that the structure quality may be low
1 ALERT type 4 Improvement, methodology, query or suggestion
0 ALERT type 5 Informative message, check
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: SIR97 (Altomare et al., 1999); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: DIAMOND (Brandenburg & Putz, 2005); software used to prepare material for publication: WinGX (Farrugia, 1999).
Tetrakis(tri-
p-tolylphosphine-
κP)silver(I) hexafluorophosphate
top
Crystal data top
[Ag(C21H21P)4]PF6 | Dx = 1.299 Mg m−3 |
Mr = 1470.23 | Mo Kα radiation, λ = 0.71073 Å |
Cubic, P213 | Cell parameters from 8586 reflections |
Hall symbol: P 2ac 2ab 3 | θ = 2.3–25.7° |
a = 24.6842 (4) Å | µ = 0.43 mm−1 |
V = 15040.3 (4) Å3 | T = 101 K |
Z = 8 | Cuboid, colourless |
F(000) = 6112 | 0.40 × 0.37 × 0.36 mm |
Data collection top
Bruker X8 APEX0II 4K KappaCCD diffractometer | 12538 independent reflections |
Radiation source: sealed tube | 10906 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.064 |
Detector resolution: 512 pixels mm-1 | θmax = 28.4°, θmin = 1.2° |
ω and φ scans | h = −32→32 |
Absorption correction: multi-scan (SADABS; Bruker, 2004) | k = −32→32 |
Tmin = 0.846, Tmax = 0.860 | l = −32→32 |
122435 measured reflections | |
Refinement top
Refinement on F2 | H-atom parameters constrained |
Least-squares matrix: full | w = 1/[σ2(Fo2) + (0.0501P)2 + 9.1168P] where P = (Fo2 + 2Fc2)/3 |
R[F2 > 2σ(F2)] = 0.038 | (Δ/σ)max = 0.003 |
wR(F2) = 0.102 | Δρmax = 1.58 e Å−3 |
S = 1.09 | Δρmin = −0.55 e Å−3 |
12538 reflections | Absolute structure: Flack (1983), 5852 Friedel pairs |
588 parameters | Absolute structure parameter: −0.024 (17) |
0 restraints | |
Special details top
Experimental. The intensity data was collected on a Bruker X8 ApexII 4 K Kappa CCD
diffractometer using an exposure time of 15 s/frame. A total of 809 frames
were collected with a frame width of 0.5° covering up to θ = 25.65° with
100% completeness accomplished. IR νPF6: 839.67 cm-1; 31P NMR (121.495 MHz, 298 K, CD2Cl2): δ 4.80
p.p.m. |
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 | Occ. (<1) |
Ag1 | 0.732149 (8) | 0.732149 (8) | 0.732149 (8) | 0.01623 (8) | |
Ag2 | 0.255160 (8) | 0.755160 (8) | 0.744840 (8) | 0.01793 (8) | |
P01 | 1.00470 (6) | 0.50470 (6) | 0.99530 (6) | 0.0481 (5) | |
P02 | 0.48752 (6) | 0.51248 (6) | 1.01248 (6) | 0.0416 (4) | |
P11 | 0.79225 (3) | 0.79225 (3) | 0.79225 (3) | 0.0199 (3) | |
P12 | 0.63752 (3) | 0.77517 (3) | 0.72403 (3) | 0.01849 (15) | |
P23 | 0.19513 (3) | 0.69513 (3) | 0.80487 (3) | 0.0230 (3) | |
P24 | 0.34121 (3) | 0.78461 (3) | 0.79910 (3) | 0.01731 (14) | |
F11A | 1.0014 (7) | 0.5327 (5) | 0.9360 (4) | 0.134 (4) | 0.5 |
F11B | 0.9719 (7) | 0.5089 (5) | 0.9448 (4) | 0.134 (4) | 0.5 |
F12 | 0.95130 (19) | 0.5287 (3) | 1.0141 (2) | 0.147 (2) | |
F21 | 0.46885 (13) | 0.48476 (16) | 0.95873 (12) | 0.0778 (10) | |
F22 | 0.43170 (16) | 0.4946 (2) | 1.03813 (18) | 0.1103 (15) | |
C111 | 0.83210 (12) | 0.75585 (13) | 0.84283 (12) | 0.0242 (6) | |
C112 | 0.83388 (14) | 0.77050 (16) | 0.89717 (14) | 0.0346 (8) | |
H112 | 0.8141 | 0.8011 | 0.9095 | 0.042* | |
C113 | 0.86446 (16) | 0.74040 (18) | 0.93330 (15) | 0.0462 (10) | |
H113 | 0.8645 | 0.7501 | 0.9705 | 0.055* | |
C114 | 0.89500 (16) | 0.69643 (16) | 0.91634 (16) | 0.0400 (9) | |
C115 | 0.89311 (14) | 0.68244 (13) | 0.86203 (15) | 0.0301 (7) | |
H115 | 0.9141 | 0.6527 | 0.8494 | 0.036* | |
C116 | 0.86119 (13) | 0.71105 (13) | 0.82580 (13) | 0.0256 (7) | |
H116 | 0.8593 | 0.6998 | 0.789 | 0.031* | |
C117 | 0.9306 (2) | 0.6650 (2) | 0.95448 (19) | 0.0590 (13) | |
H11A | 0.9686 | 0.6743 | 0.9479 | 0.088* | |
H11B | 0.9252 | 0.6261 | 0.9485 | 0.088* | |
H11C | 0.921 | 0.674 | 0.9919 | 0.088* | |
C211 | 0.63916 (12) | 0.84253 (12) | 0.69368 (12) | 0.0212 (6) | |
C212 | 0.60280 (13) | 0.85967 (13) | 0.65422 (13) | 0.0261 (7) | |
H212 | 0.5743 | 0.8363 | 0.643 | 0.031* | |
C213 | 0.60785 (15) | 0.91087 (14) | 0.63106 (14) | 0.0324 (7) | |
H213 | 0.5829 | 0.9219 | 0.6039 | 0.039* | |
C214 | 0.64855 (15) | 0.94588 (13) | 0.64691 (15) | 0.0332 (8) | |
C215 | 0.68394 (14) | 0.92876 (13) | 0.68703 (14) | 0.0306 (7) | |
H215 | 0.712 | 0.9524 | 0.6987 | 0.037* | |
C216 | 0.67936 (13) | 0.87784 (13) | 0.71053 (13) | 0.0247 (6) | |
H216 | 0.7039 | 0.8672 | 0.7382 | 0.03* | |
C217 | 0.6540 (2) | 1.00130 (15) | 0.62221 (18) | 0.0494 (11) | |
H21A | 0.6471 | 1.0289 | 0.6499 | 0.074* | |
H21B | 0.6276 | 1.0053 | 0.5927 | 0.074* | |
H21C | 0.6907 | 1.0059 | 0.6079 | 0.074* | |
C221 | 0.59100 (11) | 0.73933 (12) | 0.67921 (12) | 0.0195 (6) | |
C222 | 0.53804 (12) | 0.72571 (12) | 0.69226 (13) | 0.0236 (6) | |
H222 | 0.5238 | 0.7347 | 0.7269 | 0.028* | |
C223 | 0.50605 (12) | 0.69900 (13) | 0.65465 (13) | 0.0256 (7) | |
H223 | 0.4701 | 0.6892 | 0.6643 | 0.031* | |
C224 | 0.52499 (13) | 0.68608 (13) | 0.60307 (13) | 0.0251 (6) | |
C225 | 0.57819 (13) | 0.69914 (14) | 0.59142 (14) | 0.0281 (7) | |
H225 | 0.5927 | 0.69 | 0.5569 | 0.034* | |
C226 | 0.61085 (12) | 0.72517 (13) | 0.62887 (13) | 0.0259 (7) | |
H226 | 0.6473 | 0.7334 | 0.6198 | 0.031* | |
C227 | 0.48939 (14) | 0.65850 (16) | 0.56239 (15) | 0.0346 (8) | |
H22A | 0.5108 | 0.6492 | 0.5303 | 0.052* | |
H22B | 0.4598 | 0.6829 | 0.552 | 0.052* | |
H22C | 0.4743 | 0.6254 | 0.5783 | 0.052* | |
C231 | 0.59986 (11) | 0.78528 (12) | 0.78650 (12) | 0.0199 (6) | |
C232 | 0.59169 (12) | 0.74153 (13) | 0.82122 (13) | 0.0275 (7) | |
H232 | 0.6045 | 0.7067 | 0.8112 | 0.033* | |
C233 | 0.56511 (13) | 0.74825 (15) | 0.87006 (13) | 0.0320 (7) | |
H233 | 0.5599 | 0.7179 | 0.8932 | 0.038* | |
C234 | 0.54599 (13) | 0.79866 (15) | 0.88569 (13) | 0.0291 (7) | |
C235 | 0.55378 (13) | 0.84216 (14) | 0.85117 (14) | 0.0284 (7) | |
H235 | 0.5406 | 0.8769 | 0.8612 | 0.034* | |
C236 | 0.58050 (12) | 0.83571 (13) | 0.80229 (13) | 0.0225 (6) | |
H236 | 0.5857 | 0.8661 | 0.7793 | 0.027* | |
C237 | 0.51783 (17) | 0.80629 (18) | 0.93925 (16) | 0.0453 (10) | |
H23A | 0.5305 | 0.7788 | 0.9649 | 0.068* | |
H23B | 0.4786 | 0.8026 | 0.9342 | 0.068* | |
H23C | 0.526 | 0.8424 | 0.9535 | 0.068* | |
C311 | 0.22806 (13) | 0.66930 (12) | 0.86549 (12) | 0.0245 (6) | |
C312 | 0.28104 (13) | 0.65113 (12) | 0.86081 (13) | 0.0247 (6) | |
H312 | 0.2986 | 0.6524 | 0.8266 | 0.03* | |
C313 | 0.30859 (14) | 0.63113 (13) | 0.90541 (14) | 0.0275 (7) | |
H313 | 0.3449 | 0.619 | 0.9013 | 0.033* | |
C314 | 0.28422 (16) | 0.62852 (16) | 0.95586 (15) | 0.0381 (9) | |
C315 | 0.23161 (18) | 0.64773 (18) | 0.96049 (15) | 0.0480 (11) | |
H315 | 0.2143 | 0.647 | 0.9949 | 0.058* | |
C316 | 0.20348 (16) | 0.66816 (17) | 0.91586 (14) | 0.0390 (9) | |
H316 | 0.1675 | 0.6812 | 0.9201 | 0.047* | |
C317 | 0.3142 (2) | 0.6063 (2) | 1.00342 (16) | 0.0575 (13) | |
H31A | 0.32 | 0.5674 | 0.9984 | 0.086* | |
H31B | 0.293 | 0.6124 | 1.0364 | 0.086* | |
H31C | 0.3493 | 0.6246 | 1.0067 | 0.086* | |
C411 | 0.32941 (12) | 0.81954 (12) | 0.86334 (12) | 0.0205 (6) | |
C412 | 0.28900 (13) | 0.80129 (14) | 0.89755 (13) | 0.0279 (7) | |
H412 | 0.2681 | 0.7706 | 0.8876 | 0.034* | |
C413 | 0.27875 (15) | 0.82732 (15) | 0.94607 (14) | 0.0344 (8) | |
H413 | 0.2507 | 0.8143 | 0.969 | 0.041* | |
C414 | 0.30859 (16) | 0.87188 (14) | 0.96173 (14) | 0.0332 (8) | |
C415 | 0.34967 (16) | 0.88970 (14) | 0.92806 (14) | 0.0359 (8) | |
H415 | 0.3709 | 0.92 | 0.9384 | 0.043* | |
C416 | 0.36020 (14) | 0.86383 (13) | 0.87937 (13) | 0.0273 (7) | |
H416 | 0.3887 | 0.8765 | 0.8568 | 0.033* | |
C417 | 0.2971 (2) | 0.89997 (17) | 1.01489 (16) | 0.0511 (12) | |
H41A | 0.2608 | 0.9161 | 1.0138 | 0.077* | |
H41B | 0.324 | 0.9285 | 1.0209 | 0.077* | |
H41C | 0.2989 | 0.8736 | 1.0445 | 0.077* | |
C421 | 0.38335 (11) | 0.83292 (11) | 0.76242 (12) | 0.0185 (6) | |
C422 | 0.43952 (12) | 0.83227 (12) | 0.76076 (12) | 0.0237 (6) | |
H422 | 0.459 | 0.8049 | 0.7796 | 0.028* | |
C423 | 0.46718 (13) | 0.87121 (13) | 0.73187 (14) | 0.0297 (7) | |
H423 | 0.5056 | 0.8698 | 0.7305 | 0.036* | |
C424 | 0.44042 (13) | 0.91236 (14) | 0.70486 (14) | 0.0289 (7) | |
C425 | 0.38436 (13) | 0.91334 (13) | 0.70683 (13) | 0.0268 (7) | |
H425 | 0.365 | 0.9414 | 0.6889 | 0.032* | |
C426 | 0.35660 (12) | 0.87401 (12) | 0.73460 (13) | 0.0235 (6) | |
H426 | 0.3181 | 0.8748 | 0.7349 | 0.028* | |
C427 | 0.47038 (17) | 0.95621 (18) | 0.6741 (2) | 0.0533 (12) | |
H42A | 0.5074 | 0.9592 | 0.6881 | 0.08* | |
H42B | 0.4516 | 0.9909 | 0.6789 | 0.08* | |
H42C | 0.4715 | 0.9469 | 0.6356 | 0.08* | |
C431 | 0.38786 (11) | 0.73038 (12) | 0.81748 (12) | 0.0201 (6) | |
C432 | 0.40076 (14) | 0.69199 (13) | 0.77873 (14) | 0.0303 (7) | |
H432 | 0.3859 | 0.6951 | 0.7434 | 0.036* | |
C433 | 0.43488 (15) | 0.64917 (14) | 0.79067 (16) | 0.0356 (8) | |
H433 | 0.444 | 0.6239 | 0.7631 | 0.043* | |
C434 | 0.45585 (14) | 0.64280 (14) | 0.84225 (17) | 0.0374 (9) | |
C435 | 0.44320 (14) | 0.68078 (16) | 0.88057 (15) | 0.0361 (8) | |
H435 | 0.4578 | 0.6773 | 0.916 | 0.043* | |
C436 | 0.40941 (12) | 0.72439 (14) | 0.86881 (13) | 0.0275 (7) | |
H436 | 0.4011 | 0.7501 | 0.8962 | 0.033* | |
C437 | 0.49226 (18) | 0.59554 (18) | 0.8555 (2) | 0.0542 (12) | |
H43A | 0.5291 | 0.6032 | 0.8427 | 0.081* | |
H43B | 0.4786 | 0.5629 | 0.8376 | 0.081* | |
H43C | 0.4928 | 0.5899 | 0.8948 | 0.081* | |
Atomic displacement parameters (Å2) top | U11 | U22 | U33 | U12 | U13 | U23 |
F21 | 0.0662 (19) | 0.117 (3) | 0.0498 (17) | −0.0149 (18) | −0.0221 (15) | −0.0188 (17) |
F22 | 0.081 (2) | 0.154 (4) | 0.095 (3) | −0.020 (3) | 0.038 (2) | −0.005 (3) |
P02 | 0.0416 (4) | 0.0416 (4) | 0.0416 (4) | −0.0023 (5) | −0.0023 (5) | 0.0023 (5) |
P11 | 0.0199 (3) | 0.0199 (3) | 0.0199 (3) | −0.0027 (3) | −0.0027 (3) | −0.0027 (3) |
P12 | 0.0151 (3) | 0.0177 (3) | 0.0227 (4) | 0.0015 (3) | 0.0012 (3) | 0.0009 (3) |
P23 | 0.0230 (3) | 0.0230 (3) | 0.0230 (3) | −0.0045 (3) | 0.0045 (3) | 0.0045 (3) |
P24 | 0.0169 (3) | 0.0188 (4) | 0.0162 (3) | 0.0003 (3) | −0.0009 (3) | −0.0009 (3) |
Ag1 | 0.01623 (8) | 0.01623 (8) | 0.01623 (8) | 0.00046 (7) | 0.00046 (7) | 0.00046 (7) |
Ag2 | 0.01793 (8) | 0.01793 (8) | 0.01793 (8) | −0.00111 (7) | 0.00111 (7) | 0.00111 (7) |
P01 | 0.0481 (5) | 0.0481 (5) | 0.0481 (5) | 0.0058 (5) | −0.0058 (5) | −0.0058 (5) |
F11A | 0.219 (13) | 0.131 (10) | 0.052 (4) | 0.016 (7) | 0.010 (5) | 0.022 (4) |
F11B | 0.219 (13) | 0.131 (10) | 0.052 (4) | 0.016 (7) | 0.010 (5) | 0.022 (4) |
F12 | 0.095 (3) | 0.234 (6) | 0.112 (4) | 0.062 (4) | 0.034 (3) | −0.014 (4) |
C111 | 0.0240 (14) | 0.0269 (16) | 0.0217 (14) | −0.0051 (12) | −0.0054 (11) | 0.0004 (12) |
C112 | 0.0311 (17) | 0.043 (2) | 0.0295 (17) | −0.0005 (15) | −0.0093 (14) | −0.0082 (16) |
C113 | 0.046 (2) | 0.066 (3) | 0.0260 (18) | −0.003 (2) | −0.0143 (15) | −0.0053 (18) |
C114 | 0.036 (2) | 0.044 (2) | 0.039 (2) | −0.0051 (17) | −0.0170 (16) | 0.0051 (17) |
C115 | 0.0266 (17) | 0.0238 (16) | 0.0400 (19) | −0.0061 (13) | −0.0112 (14) | 0.0021 (14) |
C116 | 0.0264 (16) | 0.0239 (16) | 0.0266 (16) | −0.0043 (13) | −0.0056 (13) | 0.0026 (13) |
C117 | 0.055 (3) | 0.072 (3) | 0.050 (3) | 0.008 (2) | −0.026 (2) | 0.015 (2) |
C211 | 0.0234 (15) | 0.0189 (14) | 0.0213 (15) | 0.0029 (11) | 0.0028 (12) | 0.0007 (11) |
C212 | 0.0256 (16) | 0.0273 (16) | 0.0254 (16) | 0.0040 (13) | −0.0001 (12) | 0.0005 (13) |
C213 | 0.0377 (19) | 0.0284 (18) | 0.0310 (18) | 0.0086 (15) | −0.0006 (15) | 0.0039 (14) |
C214 | 0.046 (2) | 0.0212 (16) | 0.0326 (19) | 0.0045 (14) | 0.0097 (15) | 0.0041 (13) |
C215 | 0.0323 (18) | 0.0222 (16) | 0.0374 (19) | 0.0001 (13) | 0.0035 (14) | −0.0038 (14) |
C216 | 0.0213 (15) | 0.0255 (16) | 0.0274 (16) | 0.0030 (12) | 0.0013 (12) | −0.0025 (13) |
C217 | 0.076 (3) | 0.0261 (19) | 0.046 (3) | −0.0031 (19) | 0.000 (2) | 0.0104 (17) |
C221 | 0.0164 (13) | 0.0177 (14) | 0.0243 (14) | 0.0028 (11) | −0.0004 (10) | 0.0013 (11) |
C222 | 0.0216 (15) | 0.0215 (15) | 0.0276 (15) | 0.0045 (12) | 0.0038 (12) | −0.0033 (12) |
C223 | 0.0164 (14) | 0.0272 (17) | 0.0332 (17) | −0.0029 (12) | 0.0040 (12) | −0.0016 (13) |
C224 | 0.0226 (15) | 0.0214 (15) | 0.0313 (17) | 0.0009 (12) | −0.0031 (13) | −0.0011 (12) |
C225 | 0.0245 (16) | 0.0326 (18) | 0.0273 (17) | 0.0027 (13) | 0.0045 (13) | −0.0051 (13) |
C226 | 0.0184 (14) | 0.0299 (17) | 0.0294 (16) | −0.0007 (12) | 0.0051 (12) | −0.0032 (13) |
C227 | 0.0266 (17) | 0.044 (2) | 0.0333 (19) | −0.0043 (15) | −0.0013 (14) | −0.0113 (16) |
C231 | 0.0133 (13) | 0.0232 (14) | 0.0232 (15) | 0.0011 (11) | −0.0027 (11) | 0.0010 (11) |
C232 | 0.0259 (15) | 0.0251 (17) | 0.0315 (17) | 0.0033 (13) | 0.0057 (12) | 0.0031 (13) |
C233 | 0.0311 (17) | 0.0342 (18) | 0.0307 (17) | −0.0009 (15) | 0.0034 (13) | 0.0049 (15) |
C234 | 0.0214 (15) | 0.0398 (19) | 0.0261 (17) | −0.0041 (14) | 0.0049 (12) | −0.0070 (14) |
C235 | 0.0222 (16) | 0.0318 (18) | 0.0313 (18) | −0.0014 (13) | 0.0006 (13) | −0.0089 (14) |
C236 | 0.0187 (14) | 0.0235 (15) | 0.0251 (15) | −0.0013 (12) | 0.0005 (12) | −0.0029 (12) |
C237 | 0.045 (2) | 0.058 (3) | 0.032 (2) | −0.0035 (19) | 0.0132 (17) | −0.0088 (18) |
C311 | 0.0257 (16) | 0.0251 (15) | 0.0226 (15) | −0.0050 (13) | 0.0036 (13) | 0.0029 (12) |
C312 | 0.0271 (16) | 0.0191 (15) | 0.0277 (16) | −0.0054 (12) | 0.0063 (13) | 0.0009 (12) |
C313 | 0.0283 (17) | 0.0191 (15) | 0.0351 (18) | −0.0025 (12) | −0.0013 (13) | −0.0028 (13) |
C314 | 0.047 (2) | 0.038 (2) | 0.0297 (18) | 0.0126 (16) | −0.0065 (16) | −0.0036 (15) |
C315 | 0.053 (2) | 0.068 (3) | 0.0226 (17) | 0.024 (2) | 0.0080 (17) | 0.0083 (17) |
C316 | 0.0338 (19) | 0.055 (2) | 0.0278 (18) | 0.0142 (17) | 0.0103 (15) | 0.0081 (16) |
C317 | 0.067 (3) | 0.076 (3) | 0.029 (2) | 0.030 (3) | −0.010 (2) | −0.004 (2) |
C411 | 0.0231 (15) | 0.0212 (14) | 0.0173 (14) | 0.0020 (11) | 0.0005 (11) | −0.0019 (11) |
C412 | 0.0292 (17) | 0.0310 (17) | 0.0237 (16) | −0.0057 (13) | 0.0025 (13) | −0.0055 (13) |
C413 | 0.035 (2) | 0.041 (2) | 0.0266 (17) | −0.0083 (16) | 0.0111 (14) | −0.0047 (14) |
C414 | 0.048 (2) | 0.0289 (18) | 0.0226 (17) | −0.0035 (15) | 0.0069 (15) | −0.0067 (13) |
C415 | 0.053 (2) | 0.0285 (18) | 0.0261 (17) | −0.0178 (16) | 0.0029 (16) | −0.0063 (14) |
C416 | 0.0351 (18) | 0.0267 (16) | 0.0200 (15) | −0.0086 (13) | 0.0043 (13) | −0.0025 (12) |
C417 | 0.076 (3) | 0.045 (2) | 0.033 (2) | −0.018 (2) | 0.021 (2) | −0.0194 (18) |
C421 | 0.0174 (13) | 0.0198 (13) | 0.0184 (14) | −0.0010 (10) | −0.0013 (11) | −0.0024 (11) |
C422 | 0.0206 (14) | 0.0261 (15) | 0.0245 (16) | 0.0028 (11) | −0.0021 (12) | 0.0048 (12) |
C423 | 0.0189 (15) | 0.0346 (17) | 0.0357 (18) | −0.0007 (12) | −0.0014 (13) | 0.0082 (15) |
C424 | 0.0260 (17) | 0.0314 (18) | 0.0293 (17) | −0.0031 (13) | 0.0022 (13) | 0.0064 (14) |
C425 | 0.0262 (16) | 0.0269 (16) | 0.0274 (17) | 0.0017 (13) | −0.0021 (13) | 0.0059 (13) |
C426 | 0.0188 (14) | 0.0261 (15) | 0.0254 (15) | 0.0005 (11) | 0.0009 (12) | 0.0008 (13) |
C427 | 0.033 (2) | 0.053 (3) | 0.074 (3) | −0.0062 (19) | 0.004 (2) | 0.035 (2) |
C431 | 0.0183 (13) | 0.0192 (14) | 0.0230 (14) | −0.0003 (11) | −0.0003 (11) | 0.0040 (12) |
C432 | 0.0325 (18) | 0.0261 (16) | 0.0321 (18) | 0.0064 (13) | −0.0042 (14) | −0.0004 (13) |
C433 | 0.0327 (19) | 0.0271 (18) | 0.047 (2) | 0.0071 (14) | −0.0020 (16) | −0.0050 (15) |
C434 | 0.0265 (17) | 0.0282 (18) | 0.057 (2) | 0.0028 (14) | −0.0011 (16) | 0.0146 (17) |
C435 | 0.0251 (18) | 0.046 (2) | 0.037 (2) | 0.0039 (15) | −0.0083 (14) | 0.0133 (16) |
C436 | 0.0214 (15) | 0.0353 (18) | 0.0259 (16) | 0.0005 (13) | −0.0052 (12) | 0.0030 (14) |
C437 | 0.040 (2) | 0.043 (3) | 0.079 (3) | 0.0132 (19) | 0.000 (2) | 0.013 (2) |
Geometric parameters (Å, º) top
F21—P02 | 1.562 (3) | C226—H226 | 0.95 |
F22—P02 | 1.579 (4) | C227—H22A | 0.98 |
P02—F21i | 1.562 (3) | C227—H22B | 0.98 |
P02—F21ii | 1.562 (3) | C227—H22C | 0.98 |
P02—F22ii | 1.579 (4) | C231—C236 | 1.389 (4) |
P02—F22i | 1.579 (4) | C231—C232 | 1.393 (4) |
P11—C111iii | 1.826 (3) | C232—C233 | 1.382 (4) |
P11—C111 | 1.826 (3) | C232—H232 | 0.95 |
P11—C111iv | 1.826 (3) | C233—C234 | 1.386 (5) |
P11—Ag1 | 2.5695 (13) | C233—H233 | 0.95 |
P12—C231 | 1.818 (3) | C234—C235 | 1.384 (5) |
P12—C221 | 1.824 (3) | C234—C237 | 1.506 (5) |
P12—C211 | 1.824 (3) | C235—C236 | 1.384 (4) |
P12—Ag1 | 2.5737 (7) | C235—H235 | 0.95 |
P23—C311v | 1.818 (3) | C236—H236 | 0.95 |
P23—C311 | 1.818 (3) | C237—H23A | 0.98 |
P23—C311vi | 1.818 (3) | C237—H23B | 0.98 |
P23—Ag2 | 2.5665 (13) | C237—H23C | 0.98 |
P24—C431 | 1.823 (3) | C311—C316 | 1.384 (4) |
P24—C421 | 1.823 (3) | C311—C312 | 1.387 (5) |
P24—C411 | 1.828 (3) | C312—C313 | 1.385 (5) |
P24—Ag2 | 2.6142 (7) | C312—H312 | 0.95 |
Ag1—P12iv | 2.5737 (7) | C313—C314 | 1.385 (5) |
Ag1—P12iii | 2.5737 (7) | C313—H313 | 0.95 |
Ag2—P24v | 2.6142 (7) | C314—C315 | 1.387 (6) |
Ag2—P24vi | 2.6142 (7) | C314—C317 | 1.492 (5) |
P01—F11Bvii | 1.489 (13) | C315—C316 | 1.397 (5) |
P01—F11B | 1.489 (13) | C315—H315 | 0.95 |
P01—F11Bviii | 1.489 (13) | C316—H316 | 0.95 |
P01—F12vii | 1.518 (4) | C317—H31A | 0.98 |
P01—F12viii | 1.518 (4) | C317—H31B | 0.98 |
P01—F12 | 1.518 (4) | C317—H31C | 0.98 |
P01—F11Avii | 1.622 (10) | C411—C412 | 1.382 (4) |
P01—F11A | 1.622 (10) | C411—C416 | 1.389 (4) |
P01—F11Aviii | 1.622 (10) | C412—C413 | 1.383 (5) |
F11B—F12viii | 1.603 (13) | C412—H412 | 0.95 |
F12—F11Bvii | 1.603 (14) | C413—C414 | 1.379 (5) |
C111—C116 | 1.384 (5) | C413—H413 | 0.95 |
C111—C112 | 1.390 (4) | C414—C415 | 1.383 (5) |
C112—C113 | 1.385 (5) | C414—C417 | 1.511 (5) |
C112—H112 | 0.95 | C415—C416 | 1.386 (5) |
C113—C114 | 1.386 (6) | C415—H415 | 0.95 |
C113—H113 | 0.95 | C416—H416 | 0.95 |
C114—C115 | 1.385 (5) | C417—H41A | 0.98 |
C114—C117 | 1.503 (5) | C417—H41B | 0.98 |
C115—C116 | 1.386 (4) | C417—H41C | 0.98 |
C115—H115 | 0.95 | C421—C422 | 1.387 (4) |
C116—H116 | 0.95 | C421—C426 | 1.391 (4) |
C117—H11A | 0.98 | C422—C423 | 1.378 (4) |
C117—H11B | 0.98 | C422—H422 | 0.95 |
C117—H11C | 0.98 | C423—C424 | 1.383 (5) |
C211—C216 | 1.385 (4) | C423—H423 | 0.95 |
C211—C212 | 1.390 (4) | C424—C425 | 1.385 (5) |
C212—C213 | 1.393 (5) | C424—C427 | 1.514 (5) |
C212—H212 | 0.95 | C425—C426 | 1.372 (4) |
C213—C214 | 1.382 (5) | C425—H425 | 0.95 |
C213—H213 | 0.95 | C426—H426 | 0.95 |
C214—C215 | 1.387 (5) | C427—H42A | 0.98 |
C214—C217 | 1.504 (5) | C427—H42B | 0.98 |
C215—C216 | 1.389 (5) | C427—H42C | 0.98 |
C215—H215 | 0.95 | C431—C436 | 1.382 (4) |
C216—H216 | 0.95 | C431—C432 | 1.383 (4) |
C217—H21A | 0.98 | C432—C433 | 1.383 (5) |
C217—H21B | 0.98 | C432—H432 | 0.95 |
C217—H21C | 0.98 | C433—C434 | 1.383 (5) |
C221—C226 | 1.380 (4) | C433—H433 | 0.95 |
C221—C222 | 1.388 (4) | C434—C435 | 1.368 (6) |
C222—C223 | 1.386 (4) | C434—C437 | 1.509 (5) |
C222—H222 | 0.95 | C435—C436 | 1.393 (5) |
C223—C224 | 1.393 (5) | C435—H435 | 0.95 |
C223—H223 | 0.95 | C436—H436 | 0.95 |
C224—C225 | 1.383 (5) | C437—H43A | 0.98 |
C224—C227 | 1.498 (5) | C437—H43B | 0.98 |
C225—C226 | 1.385 (5) | C437—H43C | 0.98 |
C225—H225 | 0.95 | | |
| | | |
F21—P02—F21i | 90.4 (2) | C223—C222—H222 | 120.1 |
F21—P02—F21ii | 90.4 (2) | C221—C222—H222 | 120.1 |
F21i—P02—F21ii | 90.4 (2) | C222—C223—C224 | 122.0 (3) |
F21—P02—F22ii | 91.5 (2) | C222—C223—H223 | 119 |
F21i—P02—F22ii | 177.3 (2) | C224—C223—H223 | 119 |
F21ii—P02—F22ii | 87.7 (2) | C225—C224—C223 | 117.1 (3) |
F21—P02—F22i | 177.3 (2) | C225—C224—C227 | 121.6 (3) |
F21i—P02—F22i | 87.7 (2) | C223—C224—C227 | 121.3 (3) |
F21ii—P02—F22i | 91.5 (2) | C224—C225—C226 | 121.5 (3) |
F22ii—P02—F22i | 90.3 (3) | C224—C225—H225 | 119.3 |
F21—P02—F22 | 87.7 (2) | C226—C225—H225 | 119.3 |
F21i—P02—F22 | 91.5 (2) | C221—C226—C225 | 120.8 (3) |
F21ii—P02—F22 | 177.3 (2) | C221—C226—H226 | 119.6 |
F22ii—P02—F22 | 90.3 (3) | C225—C226—H226 | 119.6 |
F22i—P02—F22 | 90.3 (3) | C224—C227—H22A | 109.5 |
C111iii—P11—C111 | 103.48 (12) | C224—C227—H22B | 109.5 |
C111iii—P11—C111iv | 103.48 (12) | H22A—C227—H22B | 109.5 |
C111—P11—C111iv | 103.48 (12) | C224—C227—H22C | 109.5 |
C111iii—P11—Ag1 | 114.95 (10) | H22A—C227—H22C | 109.5 |
C111—P11—Ag1 | 114.95 (10) | H22B—C227—H22C | 109.5 |
C111iv—P11—Ag1 | 114.95 (10) | C236—C231—C232 | 118.2 (3) |
C231—P12—C221 | 105.02 (13) | C236—C231—P12 | 122.5 (2) |
C231—P12—C211 | 103.57 (14) | C232—C231—P12 | 119.3 (2) |
C221—P12—C211 | 101.94 (14) | C233—C232—C231 | 120.8 (3) |
C231—P12—Ag1 | 117.05 (9) | C233—C232—H232 | 119.6 |
C221—P12—Ag1 | 114.74 (9) | C231—C232—H232 | 119.6 |
C211—P12—Ag1 | 112.83 (10) | C232—C233—C234 | 120.8 (3) |
C311v—P23—C311 | 103.66 (12) | C232—C233—H233 | 119.6 |
C311v—P23—C311vi | 103.66 (12) | C234—C233—H233 | 119.6 |
C311—P23—C311vi | 103.66 (12) | C235—C234—C233 | 118.6 (3) |
C311v—P23—Ag2 | 114.80 (10) | C235—C234—C237 | 120.5 (3) |
C311—P23—Ag2 | 114.80 (10) | C233—C234—C237 | 120.9 (3) |
C311vi—P23—Ag2 | 114.80 (10) | C234—C235—C236 | 120.9 (3) |
C431—P24—C421 | 104.09 (13) | C234—C235—H235 | 119.6 |
C431—P24—C411 | 103.36 (14) | C236—C235—H235 | 119.6 |
C421—P24—C411 | 102.30 (13) | C235—C236—C231 | 120.8 (3) |
C431—P24—Ag2 | 115.88 (10) | C235—C236—H236 | 119.6 |
C421—P24—Ag2 | 113.02 (9) | C231—C236—H236 | 119.6 |
C411—P24—Ag2 | 116.49 (10) | C234—C237—H23A | 109.5 |
P11—Ag1—P12iv | 109.311 (18) | C234—C237—H23B | 109.5 |
P11—Ag1—P12 | 109.310 (18) | H23A—C237—H23B | 109.5 |
P12iv—Ag1—P12 | 109.631 (18) | C234—C237—H23C | 109.5 |
P11—Ag1—P12iii | 109.310 (18) | H23A—C237—H23C | 109.5 |
P12iv—Ag1—P12iii | 109.631 (18) | H23B—C237—H23C | 109.5 |
P12—Ag1—P12iii | 109.632 (18) | C316—C311—C312 | 118.8 (3) |
P23—Ag2—P24v | 109.502 (18) | C316—C311—P23 | 123.4 (3) |
P23—Ag2—P24 | 109.502 (18) | C312—C311—P23 | 117.8 (2) |
P24v—Ag2—P24 | 109.441 (18) | C313—C312—C311 | 120.8 (3) |
P23—Ag2—P24vi | 109.502 (18) | C313—C312—H312 | 119.6 |
P24v—Ag2—P24vi | 109.441 (18) | C311—C312—H312 | 119.6 |
P24—Ag2—P24vi | 109.441 (18) | C314—C313—C312 | 121.2 (3) |
F11Bvii—P01—F11B | 115.7 (3) | C314—C313—H313 | 119.4 |
F11Bvii—P01—F11Bviii | 115.7 (3) | C312—C313—H313 | 119.4 |
F11B—P01—F11Bviii | 115.7 (3) | C313—C314—C315 | 117.7 (3) |
F11Bvii—P01—F12vii | 75.9 (6) | C313—C314—C317 | 120.6 (4) |
F11B—P01—F12vii | 163.8 (5) | C315—C314—C317 | 121.7 (4) |
F11Bviii—P01—F12vii | 64.4 (6) | C314—C315—C316 | 121.6 (4) |
F11Bvii—P01—F12viii | 163.8 (5) | C314—C315—H315 | 119.2 |
F11B—P01—F12viii | 64.4 (6) | C316—C315—H315 | 119.2 |
F11Bviii—P01—F12viii | 75.9 (6) | C311—C316—C315 | 119.9 (3) |
F12vii—P01—F12viii | 101.2 (3) | C311—C316—H316 | 120.1 |
F11Bvii—P01—F12 | 64.4 (6) | C315—C316—H316 | 120.1 |
F11B—P01—F12 | 75.9 (6) | C314—C317—H31A | 109.5 |
F11Bviii—P01—F12 | 163.8 (5) | C314—C317—H31B | 109.5 |
F12vii—P01—F12 | 101.2 (3) | H31A—C317—H31B | 109.5 |
F12viii—P01—F12 | 101.2 (3) | C314—C317—H31C | 109.5 |
F11Bvii—P01—F11Avii | 35.6 (7) | H31A—C317—H31C | 109.5 |
F11B—P01—F11Avii | 102.2 (9) | H31B—C317—H31C | 109.5 |
F11Bviii—P01—F11Avii | 97.9 (9) | C412—C411—C416 | 118.5 (3) |
F12vii—P01—F11Avii | 93.7 (6) | C412—C411—P24 | 119.4 (2) |
F12viii—P01—F11Avii | 159.1 (6) | C416—C411—P24 | 122.1 (2) |
F12—P01—F11Avii | 90.1 (5) | C411—C412—C413 | 120.6 (3) |
F11Bvii—P01—F11A | 97.9 (9) | C411—C412—H412 | 119.7 |
F11B—P01—F11A | 35.6 (7) | C413—C412—H412 | 119.7 |
F11Bviii—P01—F11A | 102.2 (9) | C414—C413—C412 | 121.1 (3) |
F12vii—P01—F11A | 159.1 (6) | C414—C413—H413 | 119.5 |
F12viii—P01—F11A | 90.1 (5) | C412—C413—H413 | 119.5 |
F12—P01—F11A | 93.7 (6) | C413—C414—C415 | 118.5 (3) |
F11Avii—P01—F11A | 71.5 (9) | C413—C414—C417 | 120.6 (3) |
F11Bvii—P01—F11Aviii | 102.2 (9) | C415—C414—C417 | 120.9 (3) |
F11B—P01—F11Aviii | 97.9 (9) | C414—C415—C416 | 120.8 (3) |
F11Bviii—P01—F11Aviii | 35.6 (7) | C414—C415—H415 | 119.6 |
F12vii—P01—F11Aviii | 90.1 (6) | C416—C415—H415 | 119.6 |
F12viii—P01—F11Aviii | 93.7 (6) | C415—C416—C411 | 120.5 (3) |
F12—P01—F11Aviii | 159.1 (6) | C415—C416—H416 | 119.8 |
F11Avii—P01—F11Aviii | 71.5 (9) | C411—C416—H416 | 119.8 |
F11A—P01—F11Aviii | 71.5 (9) | C414—C417—H41A | 109.5 |
P01—F11B—F12viii | 58.7 (5) | C414—C417—H41B | 109.5 |
P01—F12—F11Bvii | 56.9 (5) | H41A—C417—H41B | 109.5 |
C116—C111—C112 | 119.0 (3) | C414—C417—H41C | 109.5 |
C116—C111—P11 | 117.7 (2) | H41A—C417—H41C | 109.5 |
C112—C111—P11 | 123.3 (3) | H41B—C417—H41C | 109.5 |
C113—C112—C111 | 120.0 (4) | C422—C421—C426 | 117.9 (3) |
C113—C112—H112 | 120 | C422—C421—P24 | 125.3 (2) |
C111—C112—H112 | 120 | C426—C421—P24 | 116.8 (2) |
C112—C113—C114 | 121.5 (3) | C423—C422—C421 | 120.2 (3) |
C112—C113—H113 | 119.3 | C423—C422—H422 | 119.9 |
C114—C113—H113 | 119.3 | C421—C422—H422 | 119.9 |
C115—C114—C113 | 118.0 (3) | C422—C423—C424 | 121.7 (3) |
C115—C114—C117 | 119.8 (4) | C422—C423—H423 | 119.2 |
C113—C114—C117 | 122.2 (4) | C424—C423—H423 | 119.2 |
C114—C115—C116 | 121.1 (3) | C423—C424—C425 | 118.2 (3) |
C114—C115—H115 | 119.4 | C423—C424—C427 | 122.2 (3) |
C116—C115—H115 | 119.4 | C425—C424—C427 | 119.5 (3) |
C111—C116—C115 | 120.4 (3) | C426—C425—C424 | 120.3 (3) |
C111—C116—H116 | 119.8 | C426—C425—H425 | 119.9 |
C115—C116—H116 | 119.8 | C424—C425—H425 | 119.9 |
C114—C117—H11A | 109.5 | C425—C426—C421 | 121.7 (3) |
C114—C117—H11B | 109.5 | C425—C426—H426 | 119.2 |
H11A—C117—H11B | 109.5 | C421—C426—H426 | 119.2 |
C114—C117—H11C | 109.5 | C424—C427—H42A | 109.5 |
H11A—C117—H11C | 109.5 | C424—C427—H42B | 109.5 |
H11B—C117—H11C | 109.5 | H42A—C427—H42B | 109.5 |
C216—C211—C212 | 118.8 (3) | C424—C427—H42C | 109.5 |
C216—C211—P12 | 117.8 (2) | H42A—C427—H42C | 109.5 |
C212—C211—P12 | 123.4 (2) | H42B—C427—H42C | 109.5 |
C211—C212—C213 | 120.4 (3) | C436—C431—C432 | 118.2 (3) |
C211—C212—H212 | 119.8 | C436—C431—P24 | 123.3 (2) |
C213—C212—H212 | 119.8 | C432—C431—P24 | 118.4 (2) |
C214—C213—C212 | 121.1 (3) | C433—C432—C431 | 121.1 (3) |
C214—C213—H213 | 119.5 | C433—C432—H432 | 119.5 |
C212—C213—H213 | 119.5 | C431—C432—H432 | 119.5 |
C213—C214—C215 | 118.0 (3) | C434—C433—C432 | 120.7 (4) |
C213—C214—C217 | 121.2 (4) | C434—C433—H433 | 119.6 |
C215—C214—C217 | 120.7 (4) | C432—C433—H433 | 119.6 |
C214—C215—C216 | 121.5 (3) | C435—C434—C433 | 118.3 (3) |
C214—C215—H215 | 119.2 | C435—C434—C437 | 121.1 (4) |
C216—C215—H215 | 119.2 | C433—C434—C437 | 120.7 (4) |
C211—C216—C215 | 120.2 (3) | C434—C435—C436 | 121.5 (3) |
C211—C216—H216 | 119.9 | C434—C435—H435 | 119.3 |
C215—C216—H216 | 119.9 | C436—C435—H435 | 119.3 |
C214—C217—H21A | 109.5 | C431—C436—C435 | 120.3 (3) |
C214—C217—H21B | 109.5 | C431—C436—H436 | 119.9 |
H21A—C217—H21B | 109.5 | C435—C436—H436 | 119.9 |
C214—C217—H21C | 109.5 | C434—C437—H43A | 109.5 |
H21A—C217—H21C | 109.5 | C434—C437—H43B | 109.5 |
H21B—C217—H21C | 109.5 | H43A—C437—H43B | 109.5 |
C226—C221—C222 | 118.8 (3) | C434—C437—H43C | 109.5 |
C226—C221—P12 | 116.4 (2) | H43A—C437—H43C | 109.5 |
C222—C221—P12 | 124.7 (2) | H43B—C437—H43C | 109.5 |
C223—C222—C221 | 119.8 (3) | | |
| | | |
C111iii—P11—Ag1—P12iv | −104.93 (11) | P12—C221—C222—C223 | 179.2 (2) |
C111—P11—Ag1—P12iv | 15.07 (11) | C221—C222—C223—C224 | −1.3 (5) |
C111iv—P11—Ag1—P12iv | 135.07 (11) | C222—C223—C224—C225 | 2.5 (5) |
C111iii—P11—Ag1—P12 | 15.07 (11) | C222—C223—C224—C227 | −178.4 (3) |
C111—P11—Ag1—P12 | 135.07 (11) | C223—C224—C225—C226 | −1.6 (5) |
C111iv—P11—Ag1—P12 | −104.93 (11) | C227—C224—C225—C226 | 179.3 (3) |
C111iii—P11—Ag1—P12iii | 135.07 (11) | C222—C221—C226—C225 | 1.7 (5) |
C111—P11—Ag1—P12iii | −104.93 (11) | P12—C221—C226—C225 | −178.3 (3) |
C111iv—P11—Ag1—P12iii | 15.07 (11) | C224—C225—C226—C221 | −0.5 (5) |
C231—P12—Ag1—P11 | −59.70 (11) | C221—P12—C231—C236 | −107.8 (3) |
C221—P12—Ag1—P11 | 176.54 (10) | C211—P12—C231—C236 | −1.2 (3) |
C211—P12—Ag1—P11 | 60.36 (11) | Ag1—P12—C231—C236 | 123.6 (2) |
C231—P12—Ag1—P12iv | 60.10 (12) | C221—P12—C231—C232 | 74.8 (3) |
C221—P12—Ag1—P12iv | −63.65 (10) | C211—P12—C231—C232 | −178.6 (2) |
C211—P12—Ag1—P12iv | −179.84 (11) | Ag1—P12—C231—C232 | −53.8 (3) |
C231—P12—Ag1—P12iii | −179.50 (11) | C236—C231—C232—C233 | −0.1 (5) |
C221—P12—Ag1—P12iii | 56.74 (11) | P12—C231—C232—C233 | 177.4 (3) |
C211—P12—Ag1—P12iii | −59.44 (12) | C231—C232—C233—C234 | −0.1 (5) |
C311v—P23—Ag2—P24v | −14.78 (11) | C232—C233—C234—C235 | 0.4 (5) |
C311—P23—Ag2—P24v | −134.78 (11) | C232—C233—C234—C237 | −179.0 (3) |
C311vi—P23—Ag2—P24v | 105.22 (11) | C233—C234—C235—C236 | −0.6 (5) |
C311v—P23—Ag2—P24 | 105.22 (11) | C237—C234—C235—C236 | 178.8 (3) |
C311—P23—Ag2—P24 | −14.78 (11) | C234—C235—C236—C231 | 0.5 (5) |
C311vi—P23—Ag2—P24 | −134.78 (11) | C232—C231—C236—C235 | −0.1 (4) |
C311v—P23—Ag2—P24vi | −134.78 (11) | P12—C231—C236—C235 | −177.5 (2) |
C311—P23—Ag2—P24vi | 105.22 (11) | C311v—P23—C311—C316 | 10.8 (4) |
C311vi—P23—Ag2—P24vi | −14.78 (11) | C311vi—P23—C311—C316 | −97.2 (3) |
C431—P24—Ag2—P23 | 65.73 (10) | Ag2—P23—C311—C316 | 136.8 (3) |
C421—P24—Ag2—P23 | −174.26 (10) | C311v—P23—C311—C312 | −167.5 (2) |
C411—P24—Ag2—P23 | −56.20 (11) | C311vi—P23—C311—C312 | 84.5 (3) |
C431—P24—Ag2—P24v | −174.24 (10) | Ag2—P23—C311—C312 | −41.5 (3) |
C421—P24—Ag2—P24v | −54.23 (10) | C316—C311—C312—C313 | 1.3 (5) |
C411—P24—Ag2—P24v | 63.84 (12) | P23—C311—C312—C313 | 179.8 (2) |
C431—P24—Ag2—P24vi | −54.31 (11) | C311—C312—C313—C314 | 0.1 (5) |
C421—P24—Ag2—P24vi | 65.70 (10) | C312—C313—C314—C315 | −1.4 (5) |
C411—P24—Ag2—P24vi | −176.24 (11) | C312—C313—C314—C317 | 179.3 (4) |
F11Bvii—P01—F11B—F12viii | −162.0 (6) | C313—C314—C315—C316 | 1.1 (6) |
F11Bviii—P01—F11B—F12viii | 57.9 (10) | C317—C314—C315—C316 | −179.6 (4) |
F12vii—P01—F11B—F12viii | −29 (2) | C312—C311—C316—C315 | −1.5 (6) |
F12—P01—F11B—F12viii | −110.0 (6) | P23—C311—C316—C315 | −179.9 (3) |
F11Avii—P01—F11B—F12viii | 163.0 (6) | C314—C315—C316—C311 | 0.3 (7) |
F11A—P01—F11B—F12viii | 132.2 (18) | C431—P24—C411—C412 | −86.7 (3) |
F11Aviii—P01—F11B—F12viii | 90.4 (6) | C421—P24—C411—C412 | 165.4 (3) |
F11B—P01—F12—F11Bvii | −128.1 (9) | Ag2—P24—C411—C412 | 41.6 (3) |
F11Bviii—P01—F12—F11Bvii | 94.5 (18) | C431—P24—C411—C416 | 92.7 (3) |
F12vii—P01—F12—F11Bvii | 68.3 (7) | C421—P24—C411—C416 | −15.2 (3) |
F12viii—P01—F12—F11Bvii | 172.1 (7) | Ag2—P24—C411—C416 | −139.0 (2) |
F11Avii—P01—F12—F11Bvii | −25.6 (10) | C416—C411—C412—C413 | 1.4 (5) |
F11A—P01—F12—F11Bvii | −97.0 (9) | P24—C411—C412—C413 | −179.2 (3) |
F11Aviii—P01—F12—F11Bvii | −53.2 (14) | C411—C412—C413—C414 | −0.3 (6) |
C111iii—P11—C111—C116 | 174.5 (2) | C412—C413—C414—C415 | −0.8 (6) |
C111iv—P11—C111—C116 | −77.8 (3) | C412—C413—C414—C417 | −179.9 (4) |
Ag1—P11—C111—C116 | 48.4 (3) | C413—C414—C415—C416 | 0.8 (6) |
C111iii—P11—C111—C112 | −4.5 (3) | C417—C414—C415—C416 | 179.9 (4) |
C111iv—P11—C111—C112 | 103.2 (2) | C414—C415—C416—C411 | 0.3 (6) |
Ag1—P11—C111—C112 | −130.7 (3) | C412—C411—C416—C415 | −1.4 (5) |
C116—C111—C112—C113 | 0.0 (5) | P24—C411—C416—C415 | 179.2 (3) |
P11—C111—C112—C113 | 179.1 (3) | C431—P24—C421—C422 | −12.5 (3) |
C111—C112—C113—C114 | 1.9 (6) | C411—P24—C421—C422 | 94.8 (3) |
C112—C113—C114—C115 | −1.5 (6) | Ag2—P24—C421—C422 | −139.1 (2) |
C112—C113—C114—C117 | 176.9 (4) | C431—P24—C421—C426 | 168.4 (2) |
C113—C114—C115—C116 | −0.8 (5) | C411—P24—C421—C426 | −84.2 (2) |
C117—C114—C115—C116 | −179.3 (4) | Ag2—P24—C421—C426 | 41.8 (2) |
C112—C111—C116—C115 | −2.3 (5) | C426—C421—C422—C423 | −0.5 (5) |
P11—C111—C116—C115 | 178.6 (3) | P24—C421—C422—C423 | −179.6 (2) |
C114—C115—C116—C111 | 2.7 (5) | C421—C422—C423—C424 | 1.4 (5) |
C231—P12—C211—C216 | 84.4 (3) | C422—C423—C424—C425 | −0.8 (5) |
C221—P12—C211—C216 | −166.7 (2) | C422—C423—C424—C427 | 178.4 (4) |
Ag1—P12—C211—C216 | −43.1 (3) | C423—C424—C425—C426 | −0.5 (5) |
C231—P12—C211—C212 | −96.6 (3) | C427—C424—C425—C426 | −179.8 (4) |
C221—P12—C211—C212 | 12.3 (3) | C424—C425—C426—C421 | 1.4 (5) |
Ag1—P12—C211—C212 | 135.9 (2) | C422—C421—C426—C425 | −0.9 (5) |
C216—C211—C212—C213 | 1.9 (5) | P24—C421—C426—C425 | 178.3 (3) |
P12—C211—C212—C213 | −177.2 (3) | C421—P24—C431—C436 | 102.2 (3) |
C211—C212—C213—C214 | −0.6 (5) | C411—P24—C431—C436 | −4.3 (3) |
C212—C213—C214—C215 | −0.7 (5) | Ag2—P24—C431—C436 | −133.0 (2) |
C212—C213—C214—C217 | −179.7 (3) | C421—P24—C431—C432 | −80.4 (3) |
C213—C214—C215—C216 | 0.6 (5) | C411—P24—C431—C432 | 173.0 (3) |
C217—C214—C215—C216 | 179.6 (3) | Ag2—P24—C431—C432 | 44.4 (3) |
C212—C211—C216—C215 | −1.9 (5) | C436—C431—C432—C433 | −0.9 (5) |
P12—C211—C216—C215 | 177.2 (2) | P24—C431—C432—C433 | −178.4 (3) |
C214—C215—C216—C211 | 0.7 (5) | C431—C432—C433—C434 | 1.8 (6) |
C231—P12—C221—C226 | −178.1 (2) | C432—C433—C434—C435 | −1.9 (6) |
C211—P12—C221—C226 | 74.2 (3) | C432—C433—C434—C437 | 178.9 (4) |
Ag1—P12—C221—C226 | −48.1 (3) | C433—C434—C435—C436 | 1.1 (5) |
C231—P12—C221—C222 | 2.0 (3) | C437—C434—C435—C436 | −179.7 (4) |
C211—P12—C221—C222 | −105.8 (3) | C432—C431—C436—C435 | 0.1 (5) |
Ag1—P12—C221—C222 | 131.9 (2) | P24—C431—C436—C435 | 177.5 (3) |
C226—C221—C222—C223 | −0.8 (5) | C434—C435—C436—C431 | −0.3 (5) |
Symmetry codes: (i) −y+1, z−1/2, −x+3/2; (ii) −z+3/2, −x+1, y+1/2; (iii) y, z, x; (iv) z, x, y; (v) −z+1, x+1/2, −y+3/2; (vi) y−1/2, −z+3/2, −x+1; (vii) y+1/2, −z+3/2, −x+2; (viii) −z+2, x−1/2, −y+3/2. |
Hydrogen-bond geometry (Å, º) top
D—H···A | D—H | H···A | D···A | D—H···A |
C213—H213···F21ix | 0.95 | 2.54 | 3.439 (4) | 159 |
Symmetry code: (ix) −x+1, y+1/2, −z+3/2. |
Comparative geometrical parameters for similar [Ag(PR3)4]X
structures (R = p-tol, Ph; X = PF6-, NO3-,
ClO4-), indicated as X, R in column headings. topParameters | PF6, p-toli | PF6, Phii | NO3, Phiii | ClO4, Phiv |
Ag1-P11 | 2.570 (1) | 2.639 (2) | 2.642 (3) | 2.651 (3) |
Ag1-P12 | 2.5737 (7) | 2.674 (1) | 2.671 (4) | 2.668 (6) |
Ag2-P21 | 2.567 (1) | - | - | - |
Ag2-P22 | 2.6142 (7) | - | - | - |
P11-Ag1-P12 | 109.31 (2) | 109.31 (3) | 109.52 (9) | 109.3 (2) |
P12-Ag1-P12' | 109.63 (2) | 109.73 (3) | 109.42 (7) | 109.6 (2) |
P23-Ag2-P24 | 109.50 (2) | - | - | - |
P24-Ag2-P24' | 109.44 (2) | - | - | - |
(i) This work (ii) Bowmaker et al., 1990 (iii) Barron et
al., 1986
(iv) Engelhardt et al., 1985 |
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