Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536807004588/hg2178sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S1600536807004588/hg2178Isup2.hkl |
CCDC reference: 640356
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).
[Ti2(C5HF6O2)4(C12H8O2)O] | F(000) = 2208 |
Mr = 1124.22 | Dx = 1.887 Mg m−3 |
Monoclinic, C2/c | Mo Kα radiation, λ = 0.71073 Å |
Hall symbol: -C 2yc | Cell parameters from 4854 reflections |
a = 20.742 (2) Å | θ = 2.6–28.1° |
b = 8.5997 (12) Å | µ = 0.58 mm−1 |
c = 23.463 (3) Å | T = 100 K |
β = 108.969 (4)° | Needle, red |
V = 3957.9 (8) Å3 | 0.46 × 0.16 × 0.14 mm |
Z = 4 |
Bruker X8 APEXII 4K KappaCCD diffractometer | 4902 independent reflections |
Radiation source: fine-focus sealed tube | 3851 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.035 |
Detector resolution: 512 pixels mm-1 | θmax = 28.3°, θmin = 2.1° |
ω and φ scans | h = −27→23 |
Absorption correction: multi-scan (SADABS; Bruker, 2004) | k = −11→11 |
Tmin = 0.778, Tmax = 0.924 | l = −28→31 |
18134 measured reflections |
Refinement on F2 | 0 restraints |
Least-squares matrix: full | H-atom parameters constrained |
R[F2 > 2σ(F2)] = 0.042 | w = 1/[σ2(Fo2) + (0.0469P)2 + 8.6008P] where P = (Fo2 + 2Fc2)/3 |
wR(F2) = 0.110 | (Δ/σ)max = 0.001 |
S = 1.02 | Δρmax = 0.87 e Å−3 |
4902 reflections | Δρmin = −0.68 e Å−3 |
312 parameters |
Experimental. The intensity data was collected on a Bruker X8 Apex II 4 K Kappa CCD diffractometer using an exposure time of 20 s/frame. A total of 949 frames were collected with a frame width of 0.5° covering up to θ = 28.31° with 99.5% completeness accomplished. 1H NMR (CDCl3) monomer: δ 7.56 (d, 2H), 7.35 (t, 2H), 7.22 (t, 2H), 6.89 (d, 2H), 6.60 (s, 2H, hfaa H), dimer: 7.38–7.28 (m, 4H), 7.21–7.05 (m, 4H), 6.51 (s, 1H, hfaa H), 6.47 (s, 1H, hfaa H), 6.42 (s, 1H, hfaa H), 6.39 (s, 1H, hfaa H) at 50 °C. |
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. |
x | y | z | Uiso*/Ueq | ||
Ti1 | 0.021507 (18) | 0.71418 (5) | 0.186850 (17) | 0.01550 (11) | |
O1 | 0 | 0.7937 (3) | 0.25 | 0.0187 (4) | |
O2 | −0.00481 (7) | 0.51837 (19) | 0.18872 (7) | 0.0197 (3) | |
O3 | −0.06622 (7) | 0.76272 (18) | 0.12215 (7) | 0.0189 (3) | |
O4 | 0.04780 (7) | 0.93193 (19) | 0.16156 (7) | 0.0190 (3) | |
O5 | 0.06038 (7) | 0.6575 (2) | 0.11637 (7) | 0.0200 (3) | |
O6 | 0.11845 (7) | 0.6902 (2) | 0.23734 (7) | 0.0209 (3) | |
C1 | −0.15817 (11) | 0.8494 (3) | 0.04127 (11) | 0.0245 (5) | |
C2 | −0.08420 (10) | 0.8682 (3) | 0.08268 (10) | 0.0182 (4) | |
C3 | −0.04500 (11) | 0.9899 (3) | 0.07399 (10) | 0.0234 (5) | |
H3 | −0.0619 | 1.0569 | 0.0402 | 0.028* | |
C4 | 0.01965 (10) | 1.0128 (3) | 0.11543 (10) | 0.0188 (4) | |
C5 | 0.06330 (12) | 1.1475 (3) | 0.10572 (11) | 0.0272 (5) | |
C6 | 0.12949 (12) | 0.6138 (3) | 0.05621 (11) | 0.0250 (5) | |
C7 | 0.12026 (11) | 0.6328 (3) | 0.11825 (10) | 0.0200 (5) | |
C8 | 0.17793 (11) | 0.6260 (3) | 0.16968 (11) | 0.0288 (6) | |
H8 | 0.2212 | 0.6023 | 0.1662 | 0.035* | |
C9 | 0.17177 (10) | 0.6538 (3) | 0.22545 (10) | 0.0232 (5) | |
C10 | 0.23510 (11) | 0.6404 (4) | 0.28211 (11) | 0.0338 (6) | |
C11 | −0.04752 (10) | 0.3946 (3) | 0.18076 (10) | 0.0187 (4) | |
C12 | −0.10559 (11) | 0.3899 (3) | 0.12999 (10) | 0.0231 (5) | |
H12 | −0.1151 | 0.4725 | 0.1016 | 0.028* | |
C13 | −0.14924 (12) | 0.2641 (3) | 0.12121 (11) | 0.0262 (5) | |
H13 | −0.1894 | 0.2611 | 0.0871 | 0.031* | |
C14 | −0.13452 (11) | 0.1423 (3) | 0.16219 (11) | 0.0248 (5) | |
H14 | −0.1644 | 0.0556 | 0.1559 | 0.03* | |
C15 | −0.07616 (11) | 0.1470 (3) | 0.21230 (10) | 0.0198 (4) | |
H15 | −0.0664 | 0.0626 | 0.2399 | 0.024* | |
C16 | −0.03130 (10) | 0.2738 (3) | 0.22303 (9) | 0.0181 (4) | |
F1 | −0.16264 (8) | 0.7276 (2) | 0.00544 (8) | 0.0468 (5) | |
F2 | −0.19900 (7) | 0.8248 (2) | 0.07356 (7) | 0.0390 (4) | |
F3 | −0.18102 (7) | 0.9726 (2) | 0.00685 (7) | 0.0410 (4) | |
F4 | 0.03086 (9) | 1.2322 (2) | 0.05767 (9) | 0.0574 (6) | |
F5 | 0.11898 (8) | 1.0904 (2) | 0.09672 (7) | 0.0387 (4) | |
F6 | 0.08322 (8) | 1.24078 (18) | 0.15284 (7) | 0.0363 (4) | |
F7 | 0.08027 (8) | 0.5312 (2) | 0.01897 (7) | 0.0381 (4) | |
F8 | 0.18856 (7) | 0.5504 (2) | 0.05953 (7) | 0.0417 (4) | |
F9 | 0.12835 (10) | 0.7546 (2) | 0.03165 (8) | 0.0473 (5) | |
F10 | 0.24775 (10) | 0.7728 (3) | 0.31080 (10) | 0.0731 (7) | |
F11 | 0.22527 (9) | 0.5388 (3) | 0.31979 (10) | 0.0793 (8) | |
F12 | 0.28911 (8) | 0.5952 (4) | 0.26949 (8) | 0.0838 (9) |
U11 | U22 | U33 | U12 | U13 | U23 | |
Ti1 | 0.01379 (17) | 0.0171 (2) | 0.01523 (18) | 0.00061 (14) | 0.00423 (13) | 0.00141 (16) |
O1 | 0.0176 (9) | 0.0188 (11) | 0.0212 (10) | 0 | 0.0081 (8) | 0 |
O2 | 0.0221 (7) | 0.0184 (8) | 0.0177 (7) | 0.0006 (6) | 0.0054 (6) | 0.0013 (6) |
O3 | 0.0150 (6) | 0.0196 (8) | 0.0209 (8) | 0.0005 (6) | 0.0041 (6) | 0.0017 (6) |
O4 | 0.0172 (7) | 0.0202 (8) | 0.0188 (7) | −0.0009 (6) | 0.0049 (6) | 0.0027 (6) |
O5 | 0.0177 (7) | 0.0244 (8) | 0.0183 (7) | 0.0027 (6) | 0.0066 (6) | 0.0010 (7) |
O6 | 0.0156 (7) | 0.0286 (9) | 0.0173 (7) | 0.0013 (6) | 0.0038 (6) | 0.0013 (7) |
C1 | 0.0187 (10) | 0.0255 (12) | 0.0242 (11) | 0.0013 (9) | −0.0001 (8) | 0.0003 (10) |
C2 | 0.0149 (9) | 0.0210 (11) | 0.0176 (10) | 0.0024 (8) | 0.0036 (8) | −0.0004 (9) |
C3 | 0.0213 (10) | 0.0267 (13) | 0.0194 (11) | 0.0014 (9) | 0.0029 (8) | 0.0055 (10) |
C4 | 0.0189 (9) | 0.0188 (11) | 0.0204 (10) | 0.0006 (8) | 0.0087 (8) | 0.0017 (9) |
C5 | 0.0247 (11) | 0.0287 (13) | 0.0267 (12) | −0.0023 (10) | 0.0064 (9) | 0.0079 (11) |
C6 | 0.0261 (11) | 0.0277 (13) | 0.0238 (11) | 0.0048 (10) | 0.0115 (9) | 0.0005 (10) |
C7 | 0.0219 (10) | 0.0186 (11) | 0.0212 (11) | 0.0026 (8) | 0.0093 (8) | 0.0027 (9) |
C8 | 0.0164 (10) | 0.0469 (17) | 0.0235 (12) | 0.0059 (10) | 0.0070 (9) | 0.0017 (11) |
C9 | 0.0157 (9) | 0.0293 (13) | 0.0233 (11) | 0.0008 (9) | 0.0043 (8) | 0.0024 (10) |
C10 | 0.0168 (10) | 0.0576 (19) | 0.0241 (12) | 0.0031 (11) | 0.0028 (9) | 0.0014 (13) |
C11 | 0.0204 (9) | 0.0161 (11) | 0.0207 (10) | −0.0008 (8) | 0.0082 (8) | −0.0030 (9) |
C12 | 0.0255 (10) | 0.0221 (12) | 0.0192 (11) | 0.0030 (9) | 0.0039 (9) | 0.0000 (9) |
C13 | 0.0224 (10) | 0.0294 (13) | 0.0246 (12) | −0.0018 (9) | 0.0044 (9) | −0.0082 (10) |
C14 | 0.0226 (10) | 0.0238 (12) | 0.0298 (12) | −0.0052 (9) | 0.0110 (9) | −0.0092 (10) |
C15 | 0.0263 (10) | 0.0166 (11) | 0.0200 (10) | 0.0002 (9) | 0.0123 (9) | −0.0016 (9) |
C16 | 0.0189 (9) | 0.0170 (11) | 0.0191 (10) | 0.0000 (8) | 0.0069 (8) | −0.0036 (9) |
F1 | 0.0314 (8) | 0.0468 (11) | 0.0473 (10) | 0.0034 (7) | −0.0076 (7) | −0.0236 (9) |
F2 | 0.0164 (6) | 0.0602 (11) | 0.0381 (9) | −0.0027 (7) | 0.0056 (6) | 0.0055 (8) |
F3 | 0.0273 (7) | 0.0400 (10) | 0.0415 (9) | 0.0015 (7) | −0.0083 (6) | 0.0151 (8) |
F4 | 0.0418 (9) | 0.0582 (12) | 0.0572 (11) | −0.0175 (9) | −0.0047 (8) | 0.0394 (10) |
F5 | 0.0339 (8) | 0.0436 (10) | 0.0490 (10) | −0.0096 (7) | 0.0279 (7) | −0.0040 (8) |
F6 | 0.0402 (8) | 0.0264 (8) | 0.0471 (9) | −0.0115 (7) | 0.0210 (7) | −0.0071 (7) |
F7 | 0.0350 (8) | 0.0546 (11) | 0.0259 (7) | −0.0062 (7) | 0.0117 (6) | −0.0128 (8) |
F8 | 0.0304 (8) | 0.0639 (12) | 0.0348 (8) | 0.0106 (8) | 0.0159 (6) | −0.0092 (8) |
F9 | 0.0791 (13) | 0.0378 (10) | 0.0348 (9) | 0.0024 (9) | 0.0320 (9) | 0.0098 (8) |
F10 | 0.0552 (12) | 0.0681 (15) | 0.0616 (13) | 0.0004 (10) | −0.0285 (10) | −0.0181 (12) |
F11 | 0.0437 (10) | 0.112 (2) | 0.0588 (13) | −0.0090 (11) | −0.0149 (9) | 0.0532 (14) |
F12 | 0.0211 (8) | 0.186 (3) | 0.0370 (10) | 0.0279 (12) | −0.0006 (7) | −0.0115 (14) |
Ti1—O2 | 1.7751 (17) | C5—F5 | 1.334 (3) |
Ti1—O1 | 1.8144 (10) | C6—F7 | 1.316 (3) |
Ti1—O6 | 1.9851 (14) | C6—F8 | 1.320 (3) |
Ti1—O3 | 1.9985 (14) | C6—F9 | 1.338 (3) |
Ti1—O4 | 2.0896 (16) | C6—C7 | 1.537 (3) |
Ti1—O5 | 2.1187 (16) | C7—C8 | 1.397 (3) |
Ti1—Ti1i | 3.3610 (9) | C8—C9 | 1.376 (3) |
O1—Ti1i | 1.8144 (10) | C8—H8 | 0.95 |
O2—C11 | 1.358 (3) | C9—C10 | 1.540 (3) |
O3—C2 | 1.263 (3) | C10—F11 | 1.305 (3) |
O4—C4 | 1.259 (3) | C10—F10 | 1.306 (4) |
O5—C7 | 1.247 (3) | C10—F12 | 1.307 (3) |
O6—C9 | 1.265 (3) | C11—C12 | 1.392 (3) |
C1—F3 | 1.323 (3) | C11—C16 | 1.400 (3) |
C1—F2 | 1.324 (3) | C12—C13 | 1.382 (3) |
C1—F1 | 1.328 (3) | C12—H12 | 0.95 |
C1—C2 | 1.535 (3) | C13—C14 | 1.387 (4) |
C2—C3 | 1.380 (3) | C13—H13 | 0.95 |
C3—C4 | 1.391 (3) | C14—C15 | 1.387 (3) |
C3—H3 | 0.95 | C14—H14 | 0.95 |
C4—C5 | 1.533 (3) | C15—C16 | 1.402 (3) |
C5—F6 | 1.319 (3) | C15—H15 | 0.95 |
C5—F4 | 1.327 (3) | C16—C16i | 1.490 (4) |
O2—Ti1—O1 | 100.27 (8) | F4—C5—F5 | 107.1 (2) |
O2—Ti1—O6 | 98.43 (7) | F6—C5—C4 | 112.0 (2) |
O1—Ti1—O6 | 91.27 (5) | F4—C5—C4 | 112.35 (19) |
O2—Ti1—O3 | 90.32 (7) | F5—C5—C4 | 109.2 (2) |
O1—Ti1—O3 | 97.86 (5) | F7—C6—F8 | 108.7 (2) |
O6—Ti1—O3 | 166.06 (7) | F7—C6—F9 | 107.5 (2) |
O2—Ti1—O4 | 165.43 (7) | F8—C6—F9 | 106.6 (2) |
O1—Ti1—O4 | 92.87 (8) | F7—C6—C7 | 112.17 (19) |
O6—Ti1—O4 | 87.45 (6) | F8—C6—C7 | 112.76 (19) |
O3—Ti1—O4 | 81.62 (6) | F9—C6—C7 | 108.8 (2) |
O2—Ti1—O5 | 89.96 (7) | O5—C7—C8 | 127.0 (2) |
O1—Ti1—O5 | 168.82 (7) | O5—C7—C6 | 114.46 (19) |
O6—Ti1—O5 | 82.71 (6) | C8—C7—C6 | 118.6 (2) |
O3—Ti1—O5 | 86.48 (6) | C9—C8—C7 | 119.7 (2) |
O4—Ti1—O5 | 77.51 (6) | C9—C8—H8 | 120.1 |
O2—Ti1—Ti1i | 78.83 (5) | C7—C8—H8 | 120.1 |
O1—Ti1—Ti1i | 22.15 (7) | O6—C9—C8 | 127.6 (2) |
O6—Ti1—Ti1i | 88.95 (5) | O6—C9—C10 | 112.9 (2) |
O3—Ti1—Ti1i | 103.45 (5) | C8—C9—C10 | 119.4 (2) |
O4—Ti1—Ti1i | 114.77 (4) | F11—C10—F10 | 106.5 (3) |
O5—Ti1—Ti1i | 164.93 (5) | F11—C10—F12 | 106.8 (3) |
Ti1i—O1—Ti1 | 135.70 (13) | F10—C10—F12 | 109.4 (3) |
C11—O2—Ti1 | 158.75 (14) | F11—C10—C9 | 111.0 (2) |
C2—O3—Ti1 | 133.30 (14) | F10—C10—C9 | 110.6 (2) |
C4—O4—Ti1 | 130.40 (14) | F12—C10—C9 | 112.3 (2) |
C7—O5—Ti1 | 129.73 (14) | O2—C11—C12 | 119.0 (2) |
C9—O6—Ti1 | 133.08 (14) | O2—C11—C16 | 119.24 (18) |
F3—C1—F2 | 108.0 (2) | C12—C11—C16 | 121.8 (2) |
F3—C1—F1 | 107.9 (2) | C13—C12—C11 | 119.5 (2) |
F2—C1—F1 | 108.0 (2) | C13—C12—H12 | 120.2 |
F3—C1—C2 | 112.8 (2) | C11—C12—H12 | 120.2 |
F2—C1—C2 | 110.40 (19) | C12—C13—C14 | 120.1 (2) |
F1—C1—C2 | 109.49 (19) | C12—C13—H13 | 119.9 |
O3—C2—C3 | 127.24 (19) | C14—C13—H13 | 119.9 |
O3—C2—C1 | 112.62 (19) | C13—C14—C15 | 120.0 (2) |
C3—C2—C1 | 120.1 (2) | C13—C14—H14 | 120 |
C2—C3—C4 | 119.0 (2) | C15—C14—H14 | 120 |
C2—C3—H3 | 120.5 | C14—C15—C16 | 121.3 (2) |
C4—C3—H3 | 120.5 | C14—C15—H15 | 119.3 |
O4—C4—C3 | 126.5 (2) | C16—C15—H15 | 119.3 |
O4—C4—C5 | 114.46 (18) | C11—C16—C15 | 117.22 (19) |
C3—C4—C5 | 119.0 (2) | C11—C16—C16i | 122.98 (15) |
F6—C5—F4 | 108.2 (2) | C15—C16—C16i | 119.78 (16) |
F6—C5—F5 | 107.78 (19) | ||
O2—Ti1—O1—Ti1i | 14.73 (5) | C1—C2—C3—C4 | 174.1 (2) |
O6—Ti1—O1—Ti1i | −84.07 (5) | Ti1—O4—C4—C3 | 13.4 (3) |
O3—Ti1—O1—Ti1i | 106.49 (5) | Ti1—O4—C4—C5 | −166.07 (15) |
O4—Ti1—O1—Ti1i | −171.58 (4) | C2—C3—C4—O4 | 0.4 (4) |
O5—Ti1—O1—Ti1i | −141.2 (3) | C2—C3—C4—C5 | 179.8 (2) |
O1—Ti1—O2—C11 | 76.9 (4) | O4—C4—C5—F6 | −56.1 (3) |
O6—Ti1—O2—C11 | 169.7 (4) | C3—C4—C5—F6 | 124.4 (2) |
O3—Ti1—O2—C11 | −21.2 (4) | O4—C4—C5—F4 | −178.1 (2) |
O4—Ti1—O2—C11 | −77.3 (5) | C3—C4—C5—F4 | 2.4 (3) |
O5—Ti1—O2—C11 | −107.7 (4) | O4—C4—C5—F5 | 63.2 (3) |
Ti1i—Ti1—O2—C11 | 82.5 (4) | C3—C4—C5—F5 | −116.3 (2) |
O2—Ti1—O3—C2 | −158.3 (2) | Ti1—O5—C7—C8 | 4.8 (4) |
O1—Ti1—O3—C2 | 101.3 (2) | Ti1—O5—C7—C6 | −173.09 (15) |
O6—Ti1—O3—C2 | −29.2 (4) | F7—C6—C7—O5 | −40.9 (3) |
O4—Ti1—O3—C2 | 9.6 (2) | F8—C6—C7—O5 | −164.1 (2) |
O5—Ti1—O3—C2 | −68.3 (2) | F9—C6—C7—O5 | 77.9 (3) |
Ti1i—Ti1—O3—C2 | 123.15 (19) | F7—C6—C7—C8 | 141.0 (2) |
O2—Ti1—O4—C4 | 41.9 (4) | F8—C6—C7—C8 | 17.9 (3) |
O1—Ti1—O4—C4 | −112.65 (18) | F9—C6—C7—C8 | −100.2 (3) |
O6—Ti1—O4—C4 | 156.20 (19) | O5—C7—C8—C9 | −2.4 (4) |
O3—Ti1—O4—C4 | −15.13 (19) | C6—C7—C8—C9 | 175.3 (2) |
O5—Ti1—O4—C4 | 73.10 (19) | Ti1—O6—C9—C8 | 3.6 (4) |
Ti1i—Ti1—O4—C4 | −116.14 (18) | Ti1—O6—C9—C10 | −176.13 (18) |
O2—Ti1—O5—C7 | −101.1 (2) | C7—C8—C9—O6 | −1.9 (4) |
O1—Ti1—O5—C7 | 55.2 (4) | C7—C8—C9—C10 | 177.9 (2) |
O6—Ti1—O5—C7 | −2.6 (2) | O6—C9—C10—F11 | 57.4 (3) |
O3—Ti1—O5—C7 | 168.5 (2) | C8—C9—C10—F11 | −122.4 (3) |
O4—Ti1—O5—C7 | 86.3 (2) | O6—C9—C10—F10 | −60.6 (3) |
Ti1i—Ti1—O5—C7 | −59.5 (3) | C8—C9—C10—F10 | 119.7 (3) |
O2—Ti1—O6—C9 | 87.5 (2) | O6—C9—C10—F12 | 176.8 (3) |
O1—Ti1—O6—C9 | −171.9 (2) | C8—C9—C10—F12 | −2.9 (4) |
O3—Ti1—O6—C9 | −40.8 (4) | Ti1—O2—C11—C12 | 35.7 (5) |
O4—Ti1—O6—C9 | −79.1 (2) | Ti1—O2—C11—C16 | −145.7 (3) |
O5—Ti1—O6—C9 | −1.4 (2) | O2—C11—C12—C13 | 179.6 (2) |
Ti1i—Ti1—O6—C9 | 166.1 (2) | C16—C11—C12—C13 | 1.1 (3) |
Ti1—O3—C2—C3 | −1.6 (4) | C11—C12—C13—C14 | −1.2 (4) |
Ti1—O3—C2—C1 | 177.64 (15) | C12—C13—C14—C15 | 0.4 (4) |
F3—C1—C2—O3 | 169.1 (2) | C13—C14—C15—C16 | 0.5 (3) |
F2—C1—C2—O3 | 48.1 (3) | O2—C11—C16—C15 | −178.73 (19) |
F1—C1—C2—O3 | −70.7 (3) | C12—C11—C16—C15 | −0.2 (3) |
F3—C1—C2—C3 | −11.6 (3) | O2—C11—C16—C16i | −0.1 (4) |
F2—C1—C2—C3 | −132.5 (2) | C12—C11—C16—C16i | 178.5 (2) |
F1—C1—C2—C3 | 108.6 (3) | C14—C15—C16—C11 | −0.6 (3) |
O3—C2—C3—C4 | −6.7 (4) | C14—C15—C16—C16i | −179.3 (2) |
Symmetry code: (i) −x, y, −z+1/2. |
D—H···A | D—H | H···A | D···A | D—H···A |
C3—H3···F4 | 0.95 | 2.37 | 2.713 (3) | 101 |
C3—H3···F9ii | 0.95 | 2.42 | 3.343 (3) | 164 |
C8—H8···F8 | 0.95 | 2.41 | 2.742 (3) | 100 |
C8—H8···F12 | 0.95 | 2.38 | 2.713 (3) | 100 |
C15—H15···O4iii | 0.95 | 2.48 | 3.375 (3) | 156 |
Symmetry codes: (ii) −x, −y+2, −z; (iii) −x, y−1, −z+1/2. |