research papers
Morpholinium tetrafluoroborate, [C4H10NO]+[BF4]−, belongs to a class of ferroelectric compounds ABX4. However, [C4H10NO]+[BF4]− does not develop ferroelectric properties because the incommensurate phase below Tc,I = 153 K is centrosymmetric with superspace group Pnam(σ100)00s and σ1 = 0.42193 (12) at T = 130 K; the threefold superstructure below Tc,II = 117–118 K possesses the acentric but non-ferroelectric space group P212121. At ambient conditions, [C4H10NO]+[BF4]− comprises orientationally disordered [BF4]− anions accommodated in cavities between four morpholinium cations. A structure model for the incommensurately modulated phase, which involves modulated orientational ordering of [BF4]− together with modulated distortions and displacements of the morpholinium ions is reported. A mechanism is proposed for the phase transitions, whereby at low temperatures morpholinium cations are shaped around the tetrafluoroborate anion in order to optimize the interactions with one orientation of this anion and, thus, forcing [BF4]− into this orientation. This mechanism is essentially different from a pure order–disorder phase transition. It is supported by consideration of the transition entropy. The difference in configurational entropy between the disordered and incommensurate phases has been computed from the structure models. It is shown to be much smaller than the experimental transition entropy reported by Owczarek et al. [Chem. Phys. (2011), 381, 11–20]. These features show that the order–disorder contribution is only a minor contribution to the transition entropy and that other factors, such as conformational changes, play a larger role in the phase transitions.
Keywords: incommensurately modulated structure; morpholinium tetrafluoroborate; configurational entropy.
Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S2052520617009398/bp5098sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S2052520617009398/bp5098Isup2.hkl | |
Structure factor file (CIF format) https://doi.org/10.1107/S2052520617009398/bp5098mfb_n160sup3.hkl | |
Portable Document Format (PDF) file https://doi.org/10.1107/S2052520617009398/bp5098sup4.pdf |
B-IncStrDB reference: 13272ESbhTu
CCDC reference: 1558079
Computing details top
(I) top
Crystal data top
C4H10BF4NO | F(000) = 360 |
Mr = 174.93 | Dx = 1.599 Mg m−3 |
Orthorhombic, Pnam(α00)00s† | Mo Kα radiation, λ = 0.71069 Å |
q = 0.421930a* | Cell parameters from 25395 reflections |
a = 8.09423 (9) Å | θ = 2.1–42.6° |
b = 9.40452 (16) Å | µ = 0.17 mm−1 |
c = 9.54481 (18) Å | T = 130 K |
V = 726.57 (2) Å3 | Irregular, colourless |
Z = 4 | 0.29 × 0.22 × 0.15 mm |
† Symmetry operations: (1) x1, x2, x3, x4; (2) −x1, −x2, x3+1/2, −x4+1/2; (3) −x1+1/2, x2+1/2, −x3, −x4; (4) x1+1/2, −x2+1/2, −x3+1/2, x4+1/2; (5) −x1, −x2, −x3, −x4; (6) x1, x2, −x3+1/2, x4+1/2; (7) x1+1/2, −x2+1/2, x3, x4; (8) −x1+1/2, x2+1/2, x3+1/2, −x4+1/2. |
Data collection top
Mar Image plate diffractometer | 6389 independent reflections |
Radiation source: X-ray tube | 2802 reflections with I > 3σ(I) |
Graphite monochromator | Rint = 0.066 |
φ scans | θmax = 43.4°, θmin = 2.4° |
Absorption correction: empirical (using intensity measurements) SADABS; Sheldrick,2008 | h = −10→10 |
Tmin = 0.455, Tmax = 0.749 | k = −18→18 |
45048 measured reflections | l = −18→18 |
Refinement top
Refinement on F | 51 constraints |
R[F2 > 2σ(F2)] = 0.059 | H-atom parameters constrained |
wR(F2) = 0.073 | Weighting scheme based on measured s.u.'s w = 1/(σ2(F) + 0.0001F2) |
S = 2.73 | (Δ/σ)max = 0.001 |
6389 reflections | Δρmax = 0.62 e Å−3 |
185 parameters | Δρmin = −0.54 e Å−3 |
0 restraints |
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
x | y | z | Uiso*/Ueq | Occ. (<1) | |
O1 | 0.03326 (8) | 0.76034 (6) | 0.25 | 0.03003 (19) | |
N1 | 0.26956 (7) | 0.53856 (5) | 0.25 | 0.0238 (2) | |
C1 | 0.12672 (7) | 0.72981 (6) | 0.37320 (6) | 0.03110 (19) | |
C2 | 0.17310 (7) | 0.57458 (6) | 0.37769 (5) | 0.02729 (17) | |
H1c | 0.293506 | 0.443102 | 0.25 | 0.0356* | |
H2b | 0.239028 | 0.556542 | 0.459063 | 0.0327* | |
H2a | 0.074813 | 0.517806 | 0.380692 | 0.0327* | |
H1d | 0.366956 | 0.588698 | 0.25 | 0.0356* | |
H1b | 0.062524 | 0.75312 | 0.454268 | 0.0373* | |
H1a | 0.225014 | 0.78668 | 0.373974 | 0.0373* | |
B1a | 0.1760 (9) | 0.1454 (7) | 0.2623 (5) | 0.0262 (17) | 0.1834 |
F1a | 0.2321 (13) | 0.2578 (10) | 0.3422 (9) | 0.039 (3) | 0.1834 |
F2a | 0.3049 (11) | 0.0576 (10) | 0.2264 (8) | 0.042 (3) | 0.1834 |
F3a | 0.0601 (12) | 0.0705 (10) | 0.3387 (11) | 0.040 (3) | 0.1834 |
F4a | 0.0999 (13) | 0.1976 (12) | 0.1440 (7) | 0.061 (3) | 0.1834 |
B1b | 0.1542 (4) | 0.1250 (2) | 0.2631 (4) | 0.0220 (6) | 0.3166 |
F1b | 0.298 (3) | 0.047 (4) | 0.2510 (12) | 0.0351 (15) | 0.3166 |
F2b | 0.0646 (19) | 0.118 (3) | 0.1411 (10) | 0.0432 (15) | 0.3166 |
F3b | 0.062 (3) | 0.071 (3) | 0.3728 (11) | 0.0257 (15) | 0.3166 |
F4b | 0.194 (5) | 0.2638 (19) | 0.2943 (12) | 0.0498 (16) | 0.3166 |
Atomic displacement parameters (Å2) top
U11 | U22 | U33 | U12 | U13 | U23 | |
O1 | 0.0273 (3) | 0.0225 (3) | 0.0403 (4) | 0.0070 (2) | 0 | 0 |
N1 | 0.0228 (4) | 0.0139 (3) | 0.0346 (4) | 0.0002 (2) | 0 | 0 |
C1 | 0.0326 (4) | 0.0250 (3) | 0.0358 (3) | 0.0039 (2) | −0.0019 (3) | −0.0079 (2) |
C2 | 0.0319 (3) | 0.0243 (3) | 0.0256 (3) | 0.0005 (2) | −0.0023 (2) | −0.0003 (2) |
B1a | 0.012 (3) | 0.035 (3) | 0.031 (3) | 0.0059 (16) | −0.0047 (18) | −0.0092 (17) |
F1a | 0.055 (7) | 0.020 (4) | 0.041 (6) | −0.016 (4) | −0.002 (4) | 0.004 (4) |
F2a | 0.034 (4) | 0.041 (5) | 0.050 (7) | 0.022 (4) | 0.015 (4) | 0.011 (4) |
F3a | 0.021 (5) | 0.042 (6) | 0.057 (6) | −0.017 (4) | 0.007 (4) | −0.029 (4) |
F4a | 0.074 (6) | 0.072 (7) | 0.038 (4) | 0.050 (5) | −0.019 (4) | −0.014 (4) |
B1b | 0.0256 (10) | 0.0141 (10) | 0.0263 (13) | −0.0017 (6) | −0.0011 (7) | 0.0008 (8) |
F1b | 0.0259 (18) | 0.028 (3) | 0.051 (3) | 0.0027 (19) | −0.001 (2) | −0.005 (2) |
F2b | 0.039 (2) | 0.071 (3) | 0.020 (2) | 0.011 (2) | −0.0007 (19) | 0.0016 (19) |
F3b | 0.033 (3) | 0.022 (3) | 0.022 (2) | −0.002 (2) | −0.002 (2) | 0.003 (2) |
F4b | 0.049 (3) | 0.0148 (19) | 0.086 (3) | −0.0101 (18) | 0.013 (3) | −0.005 (2) |
Geometric parameters (Å, º) top
Average | Minimum | Maximum | |
O1—C1 | 1.4317 (12) | 1.4268 (12) | 1.4363 (12) |
O1—C1i | 1.4310 (12) | 1.4268 (12) | 1.4363 (12) |
N1—C2 | 1.4910 (11) | 1.4878 (11) | 1.4950 (11) |
N1—C2i | 1.4904 (11) | 1.4878 (11) | 1.4950 (11) |
N1—H1c | 0.9 (9) | 0.9 (9) | 0.9 (9) |
N1—H1d | 0.9 (8) | 0.9 (8) | 0.9 (8) |
N1—F1a | 2.799 (13) | 2.793 (13) | 2.808 (13) |
N1—F1ai | 2.801 (13) | 2.793 (13) | 2.808 (13) |
N1—F3aii | 2.708 (14) | 2.687 (14) | 2.728 (14) |
N1—F3aiii | 2.705 (14) | 2.687 (14) | 2.728 (14) |
N1—F2bii | 3.000 (19) | 2.97 (2) | 3.03 (2) |
N1—F2biii | 2.997 (19) | 2.97 (2) | 3.03 (2) |
N1—F3bii | 2.84 (2) | 2.81 (2) | 2.86 (2) |
N1—F3biii | 2.84 (2) | 2.81 (2) | 2.86 (2) |
N1—F4b | 2.694 (19) | 2.67 (2) | 2.73 (2) |
N1—F4bi | 2.693 (19) | 2.67 (2) | 2.73 (2) |
C1—C2 | 1.5104 (12) | 1.5045 (12) | 1.5160 (12) |
C1—H1b | 1.0 (9) | 1.0 (9) | 1.0 (9) |
C1—H1a | 1.0 (9) | 1.0 (9) | 1.0 (9) |
C2—H2b | 1.0 (9) | 1.0 (9) | 1.0 (9) |
C2—H2a | 1.0 (9) | 1.0 (9) | 1.0 (9) |
B1a—B1ai | 0.244 (11) | 0.236 (11) | 0.254 (11) |
B1a—F1a | 1.382 (16) | 1.381 (16) | 1.384 (16) |
B1a—F1ai | 1.531 (15) | 1.462 (16) | 1.585 (16) |
B1a—F2a | 1.376 (16) | 1.374 (16) | 1.378 (16) |
B1a—F2ai | 1.342 (16) | 1.297 (17) | 1.376 (17) |
B1a—F3a | 1.384 (16) | 1.382 (17) | 1.386 (17) |
B1a—F3ai | 1.514 (16) | 1.441 (17) | 1.597 (17) |
B1a—F4a | 1.377 (14) | 1.377 (15) | 1.377 (15) |
B1a—F4ai | 1.193 (15) | 1.172 (15) | 1.223 (15) |
B1a—B1b | 0.253 (10) | 0.184 (10) | 0.339 (10) |
B1a—B1bi | 0.357 (10) | 0.318 (10) | 0.400 (10) |
B1a—F1b | 1.36 (3) | 1.35 (3) | 1.37 (3) |
B1a—F1bi | 1.37 (3) | 1.31 (3) | 1.42 (3) |
B1a—F2b | 1.487 (16) | 1.422 (17) | 1.567 (17) |
B1a—F2bi | 1.323 (17) | 1.267 (18) | 1.369 (18) |
B1a—F3b | 1.56 (2) | 1.51 (2) | 1.62 (2) |
B1a—F4b | 1.18 (2) | 1.11 (2) | 1.24 (2) |
B1a—F4bi | 1.24 (2) | 1.20 (2) | 1.30 (2) |
F1a—F4ai | 1.20 (2) | 1.08 (2) | 1.36 (2) |
F1a—B1b | 1.583 (14) | 1.524 (14) | 1.656 (14) |
F1a—F4b | 0.53 (3) | 0.36 (3) | 0.76 (3) |
F1a—F4bi | 1.31 (2) | 1.14 (2) | 1.53 (2) |
F2a—F2ai | 0.477 (18) | 0.454 (19) | 0.515 (19) |
F2a—B1b | 1.419 (14) | 1.405 (14) | 1.438 (14) |
F2a—B1bi | 1.374 (14) | 1.337 (14) | 1.419 (14) |
F2a—F1b | 0.25 (2) | 0.12 (3) | 0.40 (3) |
F2a—F1bi | 0.25 (3) | 0.13 (3) | 0.37 (3) |
F3a—F4ai | 1.26 (2) | 1.14 (2) | 1.36 (2) |
F3a—B1b | 1.179 (14) | 1.104 (15) | 1.234 (15) |
F3a—B1bi | 1.342 (15) | 1.301 (15) | 1.376 (15) |
F3a—F2bi | 0.47 (3) | 0.30 (3) | 0.69 (3) |
F3a—F3b | 0.328 (19) | 0.26 (2) | 0.41 (2) |
F4a—B1b | 1.397 (13) | 1.346 (13) | 1.450 (13) |
F4a—B1bi | 1.207 (13) | 1.153 (14) | 1.254 (14) |
F4a—F2b | 0.76 (3) | 0.56 (3) | 1.05 (3) |
F4a—F3bi | 1.22 (3) | 1.12 (3) | 1.37 (3) |
F4a—F4b | 1.77 (2) | 1.54 (2) | 1.94 (2) |
F4a—F4bi | 1.17 (3) | 1.03 (3) | 1.28 (3) |
B1b—B1bi | 0.256 (7) | 0.251 (7) | 0.262 (7) |
B1b—F1b | 1.38 (3) | 1.38 (3) | 1.39 (3) |
B1b—F1bi | 1.39 (3) | 1.34 (3) | 1.44 (3) |
B1b—F2b | 1.379 (13) | 1.374 (14) | 1.384 (14) |
B1b—F2bi | 1.183 (14) | 1.167 (15) | 1.203 (15) |
B1b—F3b | 1.38 (2) | 1.38 (2) | 1.39 (2) |
B1b—F3bi | 1.583 (18) | 1.542 (19) | 1.618 (19) |
B1b—F4b | 1.38 (2) | 1.38 (2) | 1.39 (2) |
B1b—F4bi | 1.448 (19) | 1.359 (19) | 1.557 (19) |
F1b—F1bi | 0.06 (4) | 0.04 (5) | 0.07 (5) |
F2b—F3bi | 0.47 (4) | 0.33 (4) | 0.60 (4) |
F4b—F4bi | 0.848 (19) | 0.85 (2) | 0.85 (2) |
C1—O1—C1i | 111.00 (6) | 110.92 (6) | 111.09 (6) |
C2—N1—C2i | 110.23 (6) | 110.17 (6) | 110.31 (6) |
C2—N1—H1c | 109.48 | 109.38 | 109.55 |
C2—N1—H1d | 109.48 | 109.38 | 109.56 |
C2—N1—F1a | 84.9 (3) | 79.9 (3) | 88.9 (3) |
C2—N1—F1ai | 114.4 (3) | 110.7 (3) | 118.3 (3) |
C2—N1—F3aii | 144.4 (3) | 137.0 (3) | 150.0 (3) |
C2—N1—F3aiii | 106.5 (3) | 99.7 (3) | 112.8 (3) |
C2—N1—F2bii | 104.7 (2) | 97.6 (2) | 110.6 (2) |
C2—N1—F2biii | 145.3 (3) | 137.8 (2) | 151.8 (3) |
C2—N1—F3bii | 149.8 (3) | 143.5 (3) | 155.1 (3) |
C2—N1—F3biii | 101.0 (3) | 94.7 (3) | 106.3 (3) |
C2—N1—F4b | 88.4 (5) | 87.2 (4) | 89.6 (5) |
C2—N1—F4bi | 103.1 (5) | 102.5 (5) | 103.7 (5) |
C2i—N1—H1c | 109.48 | 109.38 | 109.55 |
C2i—N1—H1d | 109.48 | 109.38 | 109.56 |
C2i—N1—F1a | 113.9 (3) | 110.7 (3) | 118.3 (3) |
C2i—N1—F1ai | 84.4 (3) | 79.9 (3) | 88.9 (3) |
C2i—N1—F3aii | 105.3 (3) | 99.7 (3) | 112.8 (3) |
C2i—N1—F3aiii | 143.2 (3) | 137.0 (3) | 150.0 (3) |
C2i—N1—F2bii | 144.1 (3) | 137.8 (2) | 151.8 (3) |
C2i—N1—F2biii | 103.5 (2) | 97.6 (2) | 110.6 (2) |
C2i—N1—F3bii | 99.9 (3) | 94.7 (3) | 106.3 (3) |
C2i—N1—F3biii | 148.8 (3) | 143.5 (3) | 155.1 (3) |
C2i—N1—F4b | 103.1 (5) | 102.5 (5) | 103.7 (5) |
C2i—N1—F4bi | 88.2 (5) | 87.2 (4) | 89.6 (5) |
H1c—N1—H1d | 108.68 | 108.52 | 108.85 |
H1c—N1—F1a | 25.6 | 22.16 | 29.84 |
H1c—N1—F1ai | 25.95 | 22.16 | 29.84 |
H1c—N1—F3aii | 56.24 | 55.87 | 57.03 |
H1c—N1—F3aiii | 56.35 | 55.87 | 57.03 |
H1c—N1—F2bii | 49.2 | 45.16 | 53.97 |
H1c—N1—F2biii | 49.92 | 45.16 | 53.97 |
H1c—N1—F3bii | 58.19 | 55.57 | 60.47 |
H1c—N1—F3biii | 57.74 | 55.57 | 60.47 |
H1c—N1—F4b | 26.93 | 25.52 | 28.44 |
H1c—N1—F4bi | 27.16 | 25.52 | 28.44 |
H1d—N1—F1a | 125.35 | 124.32 | 126.19 |
H1d—N1—F1ai | 125.16 | 124.32 | 126.19 |
H1d—N1—F3aii | 57.36 | 53.32 | 60.4 |
H1d—N1—F3aiii | 56.72 | 53.32 | 60.4 |
H1d—N1—F2bii | 64.67 | 63.59 | 65.94 |
H1d—N1—F2biii | 64.53 | 63.59 | 65.94 |
H1d—N1—F3bii | 58.18 | 57 | 59.43 |
H1d—N1—F3biii | 58.03 | 57 | 59.43 |
H1d—N1—F4b | 133.51 | 132.23 | 134.85 |
H1d—N1—F4bi | 133.69 | 132.23 | 134.85 |
F1a—N1—F1ai | 36.8 (4) | 36.7 (4) | 36.9 (4) |
F1a—N1—F3aii | 80.3 (4) | 77.6 (4) | 83.2 (4) |
F1a—N1—F3aiii | 68.8 (4) | 64.5 (4) | 73.0 (4) |
F1a—N1—F2bii | 61.0 (6) | 59.9 (5) | 62.2 (6) |
F1a—N1—F2biii | 74.4 (6) | 68.4 (5) | 80.5 (6) |
F1a—N1—F3bii | 82.9 (6) | 79.3 (6) | 86.6 (6) |
F1a—N1—F3biii | 67.8 (6) | 66.1 (6) | 69.0 (6) |
F1a—N1—F4b | 10.9 (6) | 7.3 (7) | 15.7 (6) |
F1a—N1—F4bi | 27.6 (4) | 23.9 (5) | 32.1 (4) |
F1ai—N1—F3aii | 67.8 (4) | 64.5 (4) | 73.0 (4) |
F1ai—N1—F3aiii | 80.3 (4) | 77.6 (4) | 83.2 (4) |
F1ai—N1—F2bii | 73.7 (6) | 68.4 (5) | 80.5 (6) |
F1ai—N1—F2biii | 61.0 (6) | 59.9 (5) | 62.2 (6) |
F1ai—N1—F3bii | 67.5 (6) | 66.1 (6) | 69.0 (6) |
F1ai—N1—F3biii | 82.5 (6) | 79.3 (6) | 86.6 (6) |
F1ai—N1—F4b | 28.0 (4) | 23.9 (5) | 32.1 (4) |
F1ai—N1—F4bi | 11.4 (6) | 7.3 (7) | 15.7 (6) |
F3aii—N1—F3aiii | 36.6 (4) | 36.5 (4) | 36.7 (4) |
F3aii—N1—F2bii | 39.4 (4) | 38.3 (4) | 40.8 (4) |
F3aii—N1—F2biii | 7.2 (5) | 3.4 (5) | 11.9 (6) |
F3aii—N1—F3bii | 6.3 (4) | 4.6 (4) | 8.1 (4) |
F3aii—N1—F3biii | 42.8 (4) | 40.9 (4) | 44.4 (4) |
F3aii—N1—F4b | 82.9 (8) | 81.4 (8) | 85.2 (8) |
F3aii—N1—F4bi | 77.1 (8) | 74.9 (8) | 80.0 (8) |
F3aiii—N1—F2bii | 7.9 (5) | 3.4 (5) | 11.9 (6) |
F3aiii—N1—F2biii | 39.5 (4) | 38.3 (4) | 40.8 (4) |
F3aiii—N1—F3bii | 42.8 (4) | 40.9 (4) | 44.4 (4) |
F3aiii—N1—F3biii | 6.4 (4) | 4.6 (4) | 8.1 (4) |
F3aiii—N1—F4b | 77.4 (8) | 74.9 (8) | 80.0 (8) |
F3aiii—N1—F4bi | 83.3 (8) | 81.4 (8) | 85.2 (8) |
F2bii—N1—F2biii | 41.0 (3) | 40.7 (3) | 41.3 (3) |
F2bii—N1—F3bii | 45.6 (4) | 45.2 (4) | 46.2 (4) |
F2bii—N1—F3biii | 8.7 (7) | 6.1 (7) | 11.0 (7) |
F2bii—N1—F4b | 69.6 (9) | 67.4 (9) | 72.3 (9) |
F2bii—N1—F4bi | 76.1 (9) | 72.8 (9) | 79.9 (9) |
F2biii—N1—F3bii | 8.4 (7) | 6.1 (7) | 11.0 (7) |
F2biii—N1—F3biii | 45.6 (4) | 45.2 (4) | 46.2 (4) |
F2biii—N1—F4b | 76.5 (9) | 72.8 (9) | 79.9 (9) |
F2biii—N1—F4bi | 70.0 (9) | 67.4 (9) | 72.3 (9) |
F3bii—N1—F3biii | 48.8 (4) | 48.8 (4) | 48.9 (4) |
F3bii—N1—F4b | 84.7 (9) | 83.5 (9) | 85.7 (9) |
F3bii—N1—F4bi | 77.2 (9) | 75.4 (9) | 78.9 (9) |
F3biii—N1—F4b | 77.0 (9) | 75.4 (9) | 78.9 (9) |
F3biii—N1—F4bi | 84.6 (9) | 83.5 (9) | 85.7 (9) |
F4b—N1—F4bi | 18.1 (4) | 18.1 (4) | 18.1 (4) |
O1—C1—C2 | 110.46 (7) | 110.15 (7) | 110.98 (7) |
O1—C1—H1b | 109.46 | 109.39 | 109.55 |
O1—C1—H1a | 109.47 | 109.39 | 109.57 |
C2—C1—H1b | 109.48 | 109.39 | 109.54 |
C2—C1—H1a | 109.46 | 109.32 | 109.62 |
H1b—C1—H1a | 108.47 | 107.97 | 108.91 |
N1—C2—C1 | 109.13 (6) | 108.90 (6) | 109.32 (6) |
N1—C2—H2b | 109.46 | 109.4 | 109.54 |
N1—C2—H2a | 109.48 | 109.38 | 109.56 |
C1—C2—H2b | 109.48 | 109.38 | 109.55 |
C1—C2—H2a | 109.46 | 109.31 | 109.63 |
H2b—C2—H2a | 109.82 | 109.57 | 109.97 |
B1ai—B1a—F1a | 121 (3) | 104 (3) | 141 (3) |
B1ai—B1a—F1ai | 48 (3) | 34 (3) | 67 (3) |
B1ai—B1a—F2a | 75 (3) | 67 (3) | 85 (3) |
B1ai—B1a—F2ai | 93 (3) | 84 (3) | 103 (3) |
B1ai—B1a—F3a | 124 (3) | 98 (3) | 145 (3) |
B1ai—B1a—F3ai | 53 (3) | 30 (3) | 72 (3) |
B1ai—B1a—F4a | 39 (3) | 31 (3) | 48 (3) |
B1ai—B1a—F4ai | 136 (3) | 123 (3) | 144 (3) |
B1ai—B1a—B1b | 93 (4) | 69 (3) | 115 (4) |
B1ai—B1a—B1bi | 49 (3) | 27 (2) | 67 (3) |
B1ai—B1a—F1b | 84 (3) | 73 (3) | 97 (3) |
B1ai—B1a—F1bi | 83 (3) | 73 (3) | 97 (3) |
B1ai—B1a—F2b | 41 (3) | 19 (3) | 58 (3) |
B1ai—B1a—F2bi | 137 (3) | 112 (3) | 157 (3) |
B1ai—B1a—F3b | 134 (3) | 111 (3) | 153 (3) |
B1ai—B1a—F4b | 103 (3) | 97 (3) | 110 (3) |
B1ai—B1a—F4bi | 64 (3) | 59 (3) | 72 (3) |
F1a—B1a—F1ai | 74.5 (8) | 72.5 (8) | 76.5 (9) |
F1a—B1a—F2a | 110.5 (10) | 110.4 (10) | 110.5 (10) |
F1a—B1a—F2ai | 100.0 (10) | 91.9 (10) | 107.6 (10) |
F1a—B1a—F3a | 108.8 (9) | 108.8 (10) | 108.9 (9) |
F1a—B1a—F3ai | 155.0 (11) | 149.4 (10) | 161.3 (10) |
F1a—B1a—F4a | 109.0 (10) | 109.0 (10) | 109.1 (10) |
F1a—B1a—F4ai | 55.1 (10) | 49.2 (10) | 62.5 (10) |
F1a—B1a—B1b | 140 (2) | 130 (2) | 149 (3) |
F1a—B1a—B1bi | 163 (2) | 157.1 (18) | 169 (2) |
F1a—B1a—F1b | 109.1 (14) | 105.8 (14) | 112.6 (14) |
F1a—B1a—F1bi | 109.6 (14) | 104.5 (14) | 114.6 (14) |
F1a—B1a—F2b | 137.8 (14) | 129.9 (14) | 148.1 (13) |
F1a—B1a—F2bi | 90.3 (12) | 83.1 (13) | 96.3 (12) |
F1a—B1a—F3b | 100.1 (10) | 95.9 (10) | 103.6 (10) |
F1a—B1a—F4b | 22.4 (13) | 14.5 (14) | 33.4 (13) |
F1a—B1a—F4bi | 59.7 (11) | 51.6 (11) | 69.5 (11) |
F1ai—B1a—F2a | 91.1 (9) | 85.1 (9) | 97.9 (9) |
F1ai—B1a—F2ai | 104.1 (10) | 99.4 (9) | 109.8 (10) |
F1ai—B1a—F3a | 154.9 (11) | 147.4 (11) | 161.3 (11) |
F1ai—B1a—F3ai | 95.2 (8) | 94.4 (8) | 95.8 (8) |
F1ai—B1a—F4a | 49.9 (9) | 43.9 (8) | 54.7 (9) |
F1ai—B1a—F4ai | 110.6 (11) | 108.2 (11) | 113.3 (11) |
F1ai—B1a—B1b | 136 (2) | 128 (2) | 146 (2) |
F1ai—B1a—B1bi | 94.4 (16) | 90.3 (14) | 100.3 (17) |
F1ai—B1a—F1b | 101.0 (13) | 93.7 (13) | 110.3 (13) |
F1ai—B1a—F1bi | 100.7 (13) | 94.7 (13) | 108.5 (13) |
F1ai—B1a—F2b | 77.6 (11) | 72.6 (11) | 83.0 (11) |
F1ai—B1a—F2bi | 143.9 (15) | 132.9 (15) | 153.0 (14) |
F1ai—B1a—F3b | 158.6 (13) | 152.4 (13) | 163.6 (13) |
F1ai—B1a—F4b | 58.2 (10) | 51.0 (11) | 64.6 (9) |
F1ai—B1a—F4bi | 21.0 (12) | 13.3 (13) | 27.7 (12) |
F2a—B1a—F2ai | 20.1 (8) | 19.0 (8) | 21.8 (8) |
F2a—B1a—F3a | 110.0 (10) | 109.9 (10) | 110.0 (10) |
F2a—B1a—F3ai | 91.9 (9) | 85.6 (9) | 97.6 (9) |
F2a—B1a—F4a | 110.4 (9) | 110.4 (9) | 110.5 (9) |
F2a—B1a—F4ai | 145.2 (11) | 143.7 (11) | 146.9 (11) |
F2a—B1a—B1b | 95 (3) | 93.5 (19) | 96 (3) |
F2a—B1a—B1bi | 82.1 (17) | 76.6 (18) | 89.4 (17) |
F2a—B1a—F1b | 10.4 (10) | 5.0 (9) | 16.9 (10) |
F2a—B1a—F1bi | 10.3 (10) | 5.0 (10) | 15.8 (10) |
F2a—B1a—F2b | 100.2 (11) | 94.5 (11) | 104.7 (11) |
F2a—B1a—F2bi | 123.9 (14) | 114.9 (14) | 134.3 (14) |
F2a—B1a—F3b | 109.6 (12) | 105.0 (12) | 115.0 (12) |
F2a—B1a—F4b | 123 (2) | 119 (2) | 128 (2) |
F2a—B1a—F4bi | 110.8 (18) | 102.1 (17) | 118.5 (18) |
F2ai—B1a—F3a | 99.7 (10) | 91.6 (9) | 107.7 (10) |
F2ai—B1a—F3ai | 104.5 (10) | 101.8 (10) | 106.4 (10) |
F2ai—B1a—F4a | 129.5 (10) | 129.3 (10) | 129.7 (10) |
F2ai—B1a—F4ai | 126.2 (10) | 124.6 (10) | 127.7 (10) |
F2ai—B1a—B1b | 94 (2) | 88 (2) | 100 (2) |
F2ai—B1a—B1bi | 95.8 (18) | 91.7 (17) | 101.5 (19) |
F2ai—B1a—F1b | 11.5 (10) | 4.9 (10) | 15.7 (9) |
F2ai—B1a—F1bi | 11.8 (9) | 5.3 (9) | 16.5 (9) |
F2ai—B1a—F2b | 115.8 (12) | 106.1 (12) | 124.0 (12) |
F2ai—B1a—F2bi | 110.5 (13) | 106.1 (13) | 116.1 (13) |
F2ai—B1a—F3b | 97.1 (12) | 94.5 (12) | 100.0 (12) |
F2ai—B1a—F4b | 118 (2) | 108.8 (19) | 129 (2) |
F2ai—B1a—F4bi | 119.6 (19) | 117 (2) | 121.9 (18) |
F3a—B1a—F3ai | 71.6 (9) | 68.9 (9) | 73.7 (9) |
F3a—B1a—F4a | 108.1 (10) | 108.0 (10) | 108.1 (11) |
F3a—B1a—F4ai | 58.2 (10) | 51.5 (10) | 63.6 (10) |
F3a—B1a—B1b | 32 (2) | 21.7 (19) | 43 (2) |
F3a—B1a—B1bi | 75.5 (17) | 68.6 (17) | 80.7 (17) |
F3a—B1a—F1b | 101.7 (14) | 95.8 (14) | 106.5 (14) |
F3a—B1a—F1bi | 101.9 (14) | 96.2 (14) | 107.0 (14) |
F3a—B1a—F2b | 85.8 (10) | 79.2 (10) | 90.7 (11) |
F3a—B1a—F2bi | 19.8 (13) | 12.6 (11) | 29.3 (14) |
F3a—B1a—F3b | 10.7 (9) | 9.1 (9) | 13.1 (9) |
F3a—B1a—F4b | 114.9 (16) | 108.0 (15) | 123.4 (17) |
F3a—B1a—F4bi | 138.6 (19) | 131.5 (18) | 146.1 (19) |
F3ai—B1a—F4a | 50.4 (9) | 46.4 (9) | 55.2 (9) |
F3ai—B1a—F4ai | 111.0 (11) | 104.0 (10) | 117.0 (11) |
F3ai—B1a—B1b | 42 (2) | 32.7 (19) | 54 (2) |
F3ai—B1a—B1bi | 9.9 (14) | 1.9 (15) | 15.2 (14) |
F3ai—B1a—F1b | 94.6 (13) | 91.3 (13) | 98.1 (12) |
F3ai—B1a—F1bi | 94.0 (13) | 91.0 (12) | 97.3 (13) |
F3ai—B1a—F2b | 19.5 (12) | 11.4 (10) | 27.5 (13) |
F3ai—B1a—F2bi | 86.0 (11) | 85.6 (10) | 86.6 (11) |
F3ai—B1a—F3b | 81.8 (10) | 81.1 (10) | 82.4 (10) |
F3ai—B1a—F4b | 133.4 (17) | 123.2 (17) | 142.9 (17) |
F3ai—B1a—F4bi | 102.4 (14) | 94.9 (14) | 110.0 (14) |
F4a—B1a—F4ai | 103.9 (11) | 102.4 (11) | 105.1 (11) |
F4a—B1a—B1b | 89 (2) | 78 (2) | 100 (2) |
F4a—B1a—B1bi | 55.0 (15) | 48.7 (13) | 61.1 (16) |
F4a—B1a—F1b | 119.4 (10) | 115.1 (10) | 125.4 (10) |
F4a—B1a—F1bi | 118.7 (10) | 114.7 (10) | 124.6 (10) |
F4a—B1a—F2b | 30.6 (12) | 22.6 (13) | 41.2 (12) |
F4a—B1a—F2bi | 110.3 (11) | 105.1 (11) | 114.8 (11) |
F4a—B1a—F3b | 116.7 (12) | 114.8 (12) | 118.5 (12) |
F4a—B1a—F4b | 87.2 (13) | 75.7 (14) | 95.5 (13) |
F4a—B1a—F4bi | 52.8 (14) | 45.0 (15) | 58.7 (14) |
F4ai—B1a—B1b | 88 (2) | 74.7 (19) | 100 (2) |
F4ai—B1a—B1bi | 120 (2) | 106 (2) | 130 (2) |
F4ai—B1a—F1b | 135.9 (11) | 130.7 (11) | 139.7 (11) |
F4ai—B1a—F1bi | 136.7 (11) | 131.6 (11) | 140.2 (11) |
F4ai—B1a—F2b | 109.8 (12) | 106.2 (11) | 113.5 (12) |
F4ai—B1a—F2bi | 38.1 (14) | 24.7 (14) | 49.1 (14) |
F4ai—B1a—F3b | 52.2 (12) | 43.9 (12) | 59.1 (12) |
F4ai—B1a—F4b | 57.6 (16) | 50.2 (16) | 66.2 (16) |
F4ai—B1a—F4bi | 90.0 (14) | 80.4 (14) | 100.1 (15) |
B1b—B1a—B1bi | 45 (2) | 38.1 (17) | 53 (2) |
B1b—B1a—F1b | 90 (3) | 86 (2) | 95 (3) |
B1b—B1a—F1bi | 90 (3) | 86 (2) | 95 (3) |
B1b—B1a—F2b | 60 (2) | 46.4 (18) | 75 (3) |
B1b—B1a—F2bi | 50 (2) | 35 (2) | 64 (2) |
B1b—B1a—F3b | 41 (2) | 28 (2) | 53 (2) |
B1b—B1a—F4b | 139 (3) | 129 (3) | 147 (3) |
B1b—B1a—F4bi | 137 (3) | 128 (2) | 143 (3) |
B1bi—B1a—F1b | 85.1 (19) | 79 (2) | 93.9 (19) |
B1bi—B1a—F1bi | 84.6 (19) | 78 (2) | 94 (2) |
B1bi—B1a—F2b | 25.7 (17) | 10.5 (16) | 37.6 (19) |
B1bi—B1a—F2bi | 91.1 (19) | 84.7 (19) | 97.3 (18) |
B1bi—B1a—F3b | 85.2 (18) | 78.6 (18) | 91.2 (17) |
B1bi—B1a—F4b | 141 (2) | 126 (2) | 154 (2) |
B1bi—B1a—F4bi | 106.1 (19) | 93.3 (16) | 118 (2) |
F1b—B1a—F1bi | 1.6 (17) | 0.6 (13) | 2.2 (18) |
F1b—B1a—F2b | 105.5 (13) | 101.3 (13) | 109.9 (13) |
F1b—B1a—F2bi | 114.4 (16) | 110.3 (16) | 119.9 (17) |
F1b—B1a—F3b | 100.4 (15) | 97.3 (14) | 102.7 (16) |
F1b—B1a—F4b | 125 (2) | 121 (2) | 132 (2) |
F1b—B1a—F4bi | 119 (2) | 115 (2) | 124 (2) |
F1bi—B1a—F2b | 105.0 (13) | 99.8 (13) | 109.5 (13) |
F1bi—B1a—F2bi | 114.7 (16) | 110.9 (16) | 119.5 (17) |
F1bi—B1a—F3b | 100.7 (15) | 99.1 (15) | 101.7 (15) |
F1bi—B1a—F4b | 125 (2) | 121 (2) | 131 (3) |
F1bi—B1a—F4bi | 119 (2) | 116 (2) | 122 (2) |
F2b—B1a—F2bi | 96.5 (10) | 93.7 (10) | 99.6 (11) |
F2b—B1a—F3b | 96.0 (11) | 91.5 (11) | 99.8 (12) |
F2b—B1a—F4b | 115.8 (18) | 113.4 (17) | 118.6 (19) |
F2b—B1a—F4bi | 83.0 (16) | 80.9 (17) | 86.0 (16) |
F2bi—B1a—F3b | 14.9 (15) | 10.4 (15) | 21.0 (15) |
F2bi—B1a—F4b | 95.3 (18) | 90 (2) | 99.2 (18) |
F2bi—B1a—F4bi | 124.1 (19) | 119.8 (19) | 128 (2) |
F3b—B1a—F4b | 108.6 (16) | 104.8 (15) | 112.8 (17) |
F3b—B1a—F4bi | 138.9 (18) | 134.9 (18) | 142.9 (19) |
F4b—B1a—F4bi | 40.6 (10) | 40.2 (10) | 41.3 (10) |
N1—F1a—B1a | 126.0 (8) | 123.2 (8) | 128.3 (8) |
N1—F1a—B1ai | 118.7 (7) | 117.4 (7) | 120.1 (8) |
N1—F1a—F4ai | 125.1 (11) | 120.5 (10) | 129.2 (12) |
N1—F1a—B1b | 129.5 (7) | 127.7 (6) | 131.3 (7) |
N1—F1a—F4b | 73 (3) | 72 (2) | 76 (4) |
N1—F1a—F4bi | 71.4 (10) | 70.4 (9) | 72.2 (11) |
B1a—F1a—B1ai | 7.7 (5) | 5.8 (5) | 9.7 (5) |
B1a—F1a—F4ai | 54.2 (9) | 52.5 (8) | 55.4 (9) |
B1a—F1a—B1b | 5.9 (4) | 4.1 (4) | 7.9 (4) |
B1a—F1a—F4b | 57 (2) | 53.3 (16) | 61 (3) |
B1a—F1a—F4bi | 54.7 (11) | 52.8 (9) | 56.2 (12) |
B1ai—F1a—F4ai | 59.5 (9) | 55.5 (8) | 62.8 (10) |
B1ai—F1a—B1b | 13.0 (4) | 11.0 (4) | 14.9 (4) |
B1ai—F1a—F4b | 52 (2) | 47.7 (16) | 57 (3) |
B1ai—F1a—F4bi | 47.5 (10) | 46.7 (9) | 48.4 (11) |
F4ai—F1a—B1b | 48.8 (8) | 45.7 (7) | 51.2 (9) |
F4ai—F1a—F4b | 69 (4) | 55 (3) | 79 (4) |
F4ai—F1a—F4bi | 85.5 (18) | 80.2 (18) | 89.3 (17) |
B1b—F1a—F4b | 58 (2) | 56.3 (16) | 61 (3) |
B1b—F1a—F4bi | 58.6 (11) | 56.6 (9) | 60.1 (12) |
F4b—F1a—F4bi | 23 (4) | 15 (4) | 33 (4) |
B1a—F2a—B1ai | 10.1 (5) | 9.8 (4) | 10.6 (5) |
B1a—F2a—F2ai | 76 (2) | 71 (2) | 81 (2) |
B1a—F2a—B1b | 10.2 (4) | 7.5 (4) | 13.6 (4) |
B1a—F2a—B1bi | 14.9 (4) | 13.3 (4) | 16.5 (4) |
B1a—F2a—F1b | 81 (9) | 78 (8) | 83 (12) |
B1a—F2a—F1bi | 87 (8) | 72 (5) | 107 (13) |
B1ai—F2a—F2ai | 85 (2) | 80 (2) | 90 (2) |
B1ai—F2a—B1b | 14.5 (4) | 12.7 (4) | 16.3 (4) |
B1ai—F2a—B1bi | 11.4 (4) | 7.3 (4) | 14.7 (5) |
B1ai—F2a—F1b | 90 (9) | 87 (6) | 92 (12) |
B1ai—F2a—F1bi | 94 (8) | 80 (5) | 117 (13) |
F2ai—F2a—B1b | 76 (2) | 68 (2) | 82 (2) |
F2ai—F2a—B1bi | 86 (2) | 79 (2) | 93 (2) |
F2ai—F2a—F1b | 28 (8) | 14 (5) | 37 (10) |
F2ai—F2a—F1bi | 31 (7) | 10 (5) | 53 (7) |
B1b—F2a—B1bi | 10.3 (3) | 10.1 (3) | 10.6 (3) |
B1b—F2a—F1b | 76 (9) | 75 (4) | 79 (11) |
B1b—F2a—F1bi | 82 (8) | 67 (5) | 103 (13) |
B1bi—F2a—F1b | 85 (8) | 83 (5) | 87 (15) |
B1bi—F2a—F1bi | 90 (8) | 77 (5) | 109 (13) |
F1b—F2a—F1bi | 14 (11) | 7(6) | 30 (20) |
N1iv—F3a—B1a | 127.4 (8) | 123.7 (9) | 132.9 (9) |
N1iv—F3a—B1ai | 120.7 (8) | 118.8 (8) | 123.2 (8) |
N1iv—F3a—F4ai | 128.8 (11) | 125.0 (10) | 132.9 (11) |
N1iv—F3a—B1b | 122.2 (9) | 119.7 (9) | 125.7 (10) |
N1iv—F3a—B1bi | 113.8 (8) | 110.8 (8) | 118.1 (8) |
N1iv—F3a—F2bi | 127 (3) | 112.6 (19) | 144 (4) |
N1iv—F3a—F3b | 112 (5) | 104 (4) | 119 (6) |
B1a—F3a—B1ai | 7.4 (5) | 5.2 (5) | 10.0 (5) |
B1a—F3a—F4ai | 53.3 (9) | 50.6 (8) | 56.9 (10) |
B1a—F3a—B1b | 6.5 (4) | 3.8 (4) | 9.3 (4) |
B1a—F3a—B1bi | 14.9 (4) | 13.2 (4) | 16.7 (4) |
B1a—F3a—F2bi | 73 (3) | 66.0 (17) | 80 (3) |
B1a—F3a—F3b | 117 (5) | 108 (5) | 124 (5) |
B1ai—F3a—F4ai | 58.3 (8) | 55.2 (8) | 62.6 (10) |
B1ai—F3a—B1b | 2.7 (4) | 0.5 (4) | 5.1 (4) |
B1ai—F3a—B1bi | 7.8 (4) | 5.2 (4) | 9.7 (4) |
B1ai—F3a—F2bi | 77 (3) | 71.0 (17) | 86 (3) |
B1ai—F3a—F3b | 124 (5) | 116 (5) | 132 (5) |
F4ai—F3a—B1b | 59.2 (9) | 55.3 (8) | 64.3 (10) |
F4ai—F3a—B1bi | 65.2 (9) | 63.7 (8) | 67.3 (10) |
F4ai—F3a—F2bi | 21 (2) | 15.1 (16) | 32 (4) |
F4ai—F3a—F3b | 81 (5) | 62 (4) | 100 (5) |
B1b—F3a—B1bi | 8.8 (3) | 7.5 (3) | 10.1 (3) |
B1b—F3a—F2bi | 78 (3) | 72 (2) | 84 (3) |
B1b—F3a—F3b | 122 (5) | 118 (5) | 129 (5) |
B1bi—F3a—F2bi | 85 (3) | 76.9 (17) | 93 (4) |
B1bi—F3a—F3b | 130 (5) | 124 (5) | 136 (5) |
F2bi—F3a—F3b | 64 (6) | 55 (4) | 70 (5) |
B1a—F4a—B1ai | 7.3 (6) | 5.9 (6) | 8.9 (6) |
B1a—F4a—F1ai | 71.5 (10) | 68.3 (9) | 75.1 (10) |
B1a—F4a—F3ai | 70.4 (10) | 67.3 (9) | 74.1 (10) |
B1a—F4a—B1b | 10.3 (4) | 7.6 (4) | 13.8 (4) |
B1a—F4a—B1bi | 14.0 (4) | 12.8 (4) | 15.1 (4) |
B1a—F4a—F2b | 82.5 (16) | 78.0 (13) | 86.8 (19) |
B1a—F4a—F3bi | 83.3 (12) | 78.9 (11) | 87.0 (13) |
B1a—F4a—F4b | 41.6 (8) | 39.6 (7) | 44.2 (9) |
B1a—F4a—F4bi | 57.9 (11) | 53.9 (10) | 63.6 (12) |
B1ai—F4a—F1ai | 69.4 (10) | 64.5 (10) | 75.5 (12) |
B1ai—F4a—F3ai | 69.1 (11) | 65.6 (10) | 72.3 (11) |
B1ai—F4a—B1b | 13.0 (5) | 10.9 (5) | 14.7 (5) |
B1ai—F4a—B1bi | 12.8 (5) | 8.9 (5) | 15.9 (5) |
B1ai—F4a—F2b | 81.2 (17) | 73.0 (13) | 88 (2) |
B1ai—F4a—F3bi | 80.8 (13) | 73.5 (12) | 86.7 (15) |
B1ai—F4a—F4b | 45.6 (9) | 41.4 (9) | 50.9 (9) |
B1ai—F4a—F4bi | 59.4 (12) | 52.6 (11) | 68.5 (13) |
F1ai—F4a—F3ai | 130.9 (15) | 127.8 (15) | 134.1 (16) |
F1ai—F4a—B1b | 81.7 (10) | 78.2 (9) | 86.2 (10) |
F1ai—F4a—B1bi | 81.9 (10) | 78.4 (10) | 86.2 (11) |
F1ai—F4a—F2b | 139 (2) | 133.0 (19) | 145 (2) |
F1ai—F4a—F3bi | 132.4 (19) | 129.5 (18) | 136.1 (19) |
F1ai—F4a—F4b | 50.3 (13) | 47.4 (13) | 53.4 (12) |
F1ai—F4a—F4bi | 27.2 (15) | 18.4 (16) | 34.5 (15) |
F3ai—F4a—B1b | 60.6 (9) | 58.5 (8) | 62.5 (10) |
F3ai—F4a—B1bi | 56.8 (9) | 54.4 (8) | 59.7 (10) |
F3ai—F4a—F2b | 13.1 (13) | 7.6 (9) | 19 (2) |
F3ai—F4a—F3bi | 15.9 (9) | 11.1 (8) | 20.1 (10) |
F3ai—F4a—F4b | 110.2 (11) | 105.6 (10) | 115.5 (12) |
F3ai—F4a—F4bi | 128.3 (15) | 122.0 (14) | 135.3 (17) |
B1b—F4a—B1bi | 7.4 (3) | 5.3 (3) | 9.0 (3) |
B1b—F4a—F2b | 72.8 (14) | 66.1 (10) | 78.7 (18) |
B1b—F4a—F3bi | 74.4 (11) | 67.3 (10) | 79.8 (12) |
B1b—F4a—F4b | 49.9 (7) | 45.4 (6) | 55.8 (8) |
B1b—F4a—F4bi | 67.7 (10) | 61.1 (9) | 77.4 (12) |
B1bi—F4a—F2b | 69.0 (15) | 64.4 (11) | 73.2 (19) |
B1bi—F4a—F3bi | 69.5 (12) | 65.3 (10) | 72.7 (13) |
B1bi—F4a—F4b | 55.4 (8) | 52.5 (7) | 58.9 (8) |
B1bi—F4a—F4bi | 71.2 (11) | 66.8 (10) | 77.4 (13) |
F2b—F4a—F3bi | 10.1 (17) | 4.1 (12) | 17 (2) |
F2b—F4a—F4b | 121.4 (15) | 115.3 (15) | 126.7 (16) |
F2b—F4a—F4bi | 139 (2) | 134.0 (18) | 143 (2) |
F3bi—F4a—F4b | 124.3 (13) | 119.8 (12) | 128.1 (13) |
F3bi—F4a—F4bi | 138.6 (19) | 136.2 (17) | 140 (2) |
F4b—F4a—F4bi | 24.1 (13) | 19.0 (12) | 31.2 (15) |
B1a—B1b—B1ai | 42 (2) | 33 (2) | 46 (2) |
B1a—B1b—F1a | 34 (2) | 26 (2) | 43 (2) |
B1a—B1b—F2a | 75 (2) | 72.4 (18) | 77 (3) |
B1a—B1b—F2ai | 75 (2) | 70 (2) | 80 (2) |
B1a—B1b—F3a | 142 (2) | 130 (2) | 154 (2) |
B1a—B1b—F3ai | 131 (2) | 118 (2) | 142 (2) |
B1a—B1b—F4a | 81 (2) | 69.8 (19) | 92 (2) |
B1a—B1b—F4ai | 80 (2) | 69 (2) | 93 (2) |
B1a—B1b—B1bi | 90 (2) | 72.1 (18) | 108 (3) |
B1a—B1b—F1b | 79 (3) | 77 (3) | 81 (3) |
B1a—B1b—F1bi | 80 (3) | 76 (3) | 83 (3) |
B1a—B1b—F2b | 111 (2) | 97 (2) | 125 (2) |
B1a—B1b—F2bi | 120 (3) | 103 (2) | 139 (3) |
B1a—B1b—F3b | 132 (2) | 117 (2) | 147 (2) |
B1a—B1b—F3bi | 122 (2) | 107 (2) | 135 (2) |
B1a—B1b—F4b | 34 (3) | 28 (3) | 43 (3) |
B1a—B1b—F4bi | 36 (3) | 31 (2) | 43 (2) |
B1ai—B1b—F1a | 72.4 (15) | 68.7 (16) | 74.9 (14) |
B1ai—B1b—F2a | 68.7 (17) | 65.0 (18) | 73.3 (17) |
B1ai—B1b—F2ai | 82.2 (18) | 75.4 (17) | 89.3 (19) |
B1ai—B1b—F3a | 168.9 (18) | 159.7 (18) | 177.5 (19) |
B1ai—B1b—F3ai | 90.8 (17) | 83.1 (15) | 97.9 (18) |
B1ai—B1b—F4a | 50.1 (17) | 38.2 (17) | 59.7 (17) |
B1ai—B1b—F4ai | 110.9 (17) | 106.1 (18) | 116.2 (15) |
B1ai—B1b—B1bi | 48.1 (18) | 30.9 (17) | 63.1 (19) |
B1ai—B1b—F1b | 79 (2) | 70.5 (19) | 88 (2) |
B1ai—B1b—F1bi | 79 (2) | 71.1 (19) | 87 (2) |
B1ai—B1b—F2b | 74.8 (18) | 66.2 (16) | 82.0 (19) |
B1ai—B1b—F2bi | 149 (2) | 133 (2) | 166 (2) |
B1ai—B1b—F3b | 166.3 (19) | 158 (2) | 175.8 (18) |
B1ai—B1b—F3bi | 82.8 (17) | 74.3 (16) | 89.8 (18) |
B1ai—B1b—F4b | 60.2 (17) | 50.1 (18) | 69.8 (15) |
B1ai—B1b—F4bi | 31.4 (19) | 21 (2) | 41.6 (19) |
F1a—B1b—F2a | 97.9 (8) | 93.7 (8) | 101.1 (8) |
F1a—B1b—F2ai | 88.9 (8) | 82.7 (8) | 93.9 (8) |
F1a—B1b—F3a | 108.2 (9) | 105.1 (9) | 111.4 (9) |
F1a—B1b—F3ai | 150.2 (8) | 146.4 (8) | 153.3 (8) |
F1a—B1b—F4a | 97.7 (8) | 93.7 (8) | 100.9 (8) |
F1a—B1b—F4ai | 48.8 (9) | 42.9 (9) | 55.9 (9) |
F1a—B1b—B1bi | 120.9 (13) | 102.1 (12) | 134.3 (13) |
F1a—B1b—F1b | 97.6 (13) | 93.2 (14) | 101.2 (13) |
F1a—B1b—F1bi | 98.0 (13) | 91.7 (14) | 103.2 (13) |
F1a—B1b—F2b | 129.1 (13) | 122.9 (13) | 137.6 (13) |
F1a—B1b—F2bi | 86.7 (13) | 76.3 (13) | 96.4 (13) |
F1a—B1b—F3b | 99.0 (11) | 91.9 (11) | 105.3 (10) |
F1a—B1b—F3bi | 145.5 (10) | 142.8 (10) | 148.5 (10) |
F1a—B1b—F4b | 19.1 (11) | 13.0 (12) | 27.2 (10) |
F1a—B1b—F4bi | 51.2 (9) | 45.8 (10) | 57.1 (8) |
F2a—B1b—F2ai | 19.5 (7) | 18.5 (7) | 21.1 (7) |
F2a—B1b—F3a | 120.7 (9) | 117.4 (9) | 125.3 (10) |
F2a—B1b—F3ai | 98.1 (8) | 89.1 (8) | 106.7 (8) |
F2a—B1b—F4a | 106.9 (8) | 103.7 (8) | 110.0 (8) |
F2a—B1b—F4ai | 138.2 (9) | 132.4 (9) | 145.0 (9) |
F2a—B1b—B1bi | 74.6 (14) | 68.7 (13) | 80.8 (14) |
F2a—B1b—F1b | 10.0 (10) | 4.9 (9) | 16.3 (10) |
F2a—B1b—F1bi | 9.9 (10) | 5.1 (10) | 14.9 (9) |
F2a—B1b—F2b | 103.5 (10) | 99.1 (10) | 106.8 (10) |
F2a—B1b—F2bi | 132.3 (12) | 123.3 (13) | 143.3 (11) |
F2a—B1b—F3b | 117.9 (12) | 112.9 (12) | 124.6 (12) |
F2a—B1b—F3bi | 93.2 (11) | 89.0 (11) | 97.7 (11) |
F2a—B1b—F4b | 106.6 (16) | 101.6 (16) | 110.9 (16) |
F2a—B1b—F4bi | 98.1 (15) | 90.7 (15) | 105.3 (16) |
F2ai—B1b—F3a | 108.8 (9) | 100.4 (9) | 118.0 (9) |
F2ai—B1b—F3ai | 112.8 (9) | 109.5 (8) | 115.6 (9) |
F2ai—B1b—F4a | 124.7 (8) | 118.7 (8) | 129.8 (8) |
F2ai—B1b—F4ai | 121.7 (9) | 118.8 (9) | 125.3 (9) |
F2ai—B1b—B1bi | 94.4 (14) | 88.7 (14) | 100.9 (14) |
F2ai—B1b—F1b | 10.8 (10) | 5.1 (11) | 15.3 (9) |
F2ai—B1b—F1bi | 11.1 (9) | 5.2 (9) | 16.2 (9) |
F2ai—B1b—F2b | 120.3 (10) | 115.3 (11) | 125.3 (10) |
F2ai—B1b—F2bi | 117.4 (11) | 110.7 (12) | 124.3 (11) |
F2ai—B1b—F3b | 104.1 (12) | 99.8 (12) | 109.4 (12) |
F2ai—B1b—F3bi | 109.1 (11) | 107.5 (11) | 110.7 (11) |
F2ai—B1b—F4b | 103.0 (16) | 96.7 (16) | 108.6 (16) |
F2ai—B1b—F4bi | 104.8 (16) | 100.4 (16) | 108.1 (16) |
F3a—B1b—F3ai | 84.8 (9) | 83.4 (9) | 86.2 (10) |
F3a—B1b—F4a | 120.1 (10) | 117.1 (9) | 124.0 (10) |
F3a—B1b—F4ai | 63.9 (10) | 59.4 (10) | 67.4 (10) |
F3a—B1b—B1bi | 125.4 (15) | 114.8 (14) | 139.1 (16) |
F3a—B1b—F1b | 112.1 (14) | 106.8 (13) | 116.6 (14) |
F3a—B1b—F1bi | 112.3 (13) | 106.3 (13) | 118.0 (13) |
F3a—B1b—F2b | 99.3 (11) | 97.6 (11) | 101.0 (11) |
F3a—B1b—F2bi | 22.9 (14) | 14.4 (13) | 34.6 (16) |
F3a—B1b—F3b | 11.5 (11) | 9.4 (11) | 13.8 (12) |
F3a—B1b—F3bi | 93.4 (11) | 93.1 (11) | 93.7 (11) |
F3a—B1b—F4b | 115.0 (13) | 110.9 (13) | 120.2 (13) |
F3a—B1b—F4bi | 139.6 (14) | 133.5 (15) | 147.2 (14) |
F3ai—B1b—F4a | 53.9 (9) | 50.7 (9) | 57.7 (9) |
F3ai—B1b—F4ai | 122.9 (9) | 119.7 (9) | 126.5 (10) |
F3ai—B1b—B1bi | 44.1 (13) | 33.4 (13) | 55.1 (13) |
F3ai—B1b—F1b | 103.2 (12) | 95.7 (12) | 110.6 (12) |
F3ai—B1b—F1bi | 102.5 (12) | 95.3 (11) | 110.0 (12) |
F3ai—B1b—F2b | 20.5 (13) | 12.6 (11) | 29.3 (13) |
F3ai—B1b—F2bi | 100.8 (11) | 96.7 (11) | 104.6 (11) |
F3ai—B1b—F3b | 95.9 (11) | 92.0 (11) | 99.3 (11) |
F3ai—B1b—F3bi | 9.3 (10) | 7.5 (10) | 10.8 (10) |
F3ai—B1b—F4b | 130.0 (12) | 120.5 (12) | 139.4 (12) |
F3ai—B1b—F4bi | 101.1 (11) | 95.2 (11) | 107.3 (12) |
F4a—B1b—F4ai | 102.2 (9) | 100.2 (9) | 104.0 (9) |
F4a—B1b—B1bi | 37.6 (12) | 24.9 (12) | 47.2 (12) |
F4a—B1b—F1b | 116.4 (9) | 112.1 (9) | 121.0 (10) |
F4a—B1b—F1bi | 115.8 (9) | 111.6 (9) | 120.6 (10) |
F4a—B1b—F2b | 31.9 (13) | 23.1 (13) | 44.1 (13) |
F4a—B1b—F2bi | 118.1 (11) | 111.1 (12) | 123.3 (11) |
F4a—B1b—F3b | 128.2 (12) | 126.4 (12) | 130.6 (12) |
F4a—B1b—F3bi | 47.8 (11) | 42.7 (11) | 54.9 (11) |
F4a—B1b—F4b | 79.3 (10) | 66.6 (10) | 88.5 (10) |
F4a—B1b—F4bi | 48.8 (12) | 40.1 (12) | 55.4 (12) |
F4ai—B1b—B1bi | 137.3 (14) | 123.8 (14) | 149.8 (15) |
F4ai—B1b—F1b | 131.8 (10) | 127.2 (10) | 137.0 (10) |
F4ai—B1b—F1bi | 132.5 (10) | 127.9 (10) | 137.0 (11) |
F4ai—B1b—F2b | 117.6 (11) | 112.3 (11) | 122.3 (11) |
F4ai—B1b—F2bi | 39.2 (15) | 26.6 (15) | 52.2 (15) |
F4ai—B1b—F3b | 56.8 (12) | 50.1 (13) | 63.7 (12) |
F4ai—B1b—F3bi | 128.2 (12) | 125.4 (12) | 130.5 (11) |
F4ai—B1b—F4b | 52.2 (13) | 46.2 (14) | 58.2 (13) |
F4ai—B1b—F4bi | 81.3 (11) | 74.2 (11) | 87.6 (10) |
B1bi—B1b—F1b | 84.4 (14) | 73.6 (14) | 96.7 (15) |
B1bi—B1b—F1bi | 83.5 (14) | 72.9 (14) | 95.6 (15) |
B1bi—B1b—F2b | 35.8 (14) | 31.4 (14) | 42.5 (15) |
B1bi—B1b—F2bi | 136.4 (17) | 129.1 (16) | 142.2 (17) |
B1bi—B1b—F3b | 136.5 (16) | 122.1 (15) | 149.5 (17) |
B1bi—B1b—F3bi | 35.4 (15) | 25.8 (15) | 49.7 (14) |
B1bi—B1b—F4b | 104.1 (13) | 78.4 (12) | 126.4 (14) |
B1bi—B1b—F4bi | 69.6 (12) | 45.8 (12) | 90.7 (13) |
F1b—B1b—F1bi | 1.6 (16) | 0.5 (9) | 2.3 (19) |
F1b—B1b—F2b | 110.4 (11) | 110.3 (12) | 110.4 (12) |
F1b—B1b—F2bi | 123.3 (14) | 118.7 (15) | 127.6 (12) |
F1b—B1b—F3b | 108.6 (15) | 108.4 (14) | 108.8 (15) |
F1b—B1b—F3bi | 98.8 (13) | 95.3 (12) | 102.7 (13) |
F1b—B1b—F4b | 109 (2) | 109 (2) | 109 (2) |
F1b—B1b—F4bi | 105.4 (19) | 103.1 (19) | 108 (2) |
F1bi—B1b—F2b | 109.7 (11) | 109.0 (11) | 110.4 (12) |
F1bi—B1b—F2bi | 123.7 (14) | 118.3 (15) | 128.7 (12) |
F1bi—B1b—F3b | 109.0 (15) | 107.6 (15) | 110.7 (15) |
F1bi—B1b—F3bi | 98.2 (13) | 94.5 (12) | 102.6 (13) |
F1bi—B1b—F4b | 110 (2) | 107 (2) | 111 (2) |
F1bi—B1b—F4bi | 105.3 (19) | 102.7 (19) | 108 (2) |
F2b—B1b—F2bi | 109.9 (10) | 109.3 (10) | 111.0 (10) |
F2b—B1b—F3b | 110.1 (12) | 109.9 (12) | 110.3 (12) |
F2b—B1b—F3bi | 16.6 (15) | 11.3 (15) | 21.3 (15) |
F2b—B1b—F4b | 110.4 (15) | 110.4 (15) | 110.5 (15) |
F2b—B1b—F4bi | 80.6 (15) | 78.2 (16) | 83.1 (14) |
F2bi—B1b—F3b | 18.3 (17) | 12.1 (17) | 25.5 (17) |
F2bi—B1b—F3bi | 109.2 (12) | 106.5 (12) | 112.4 (12) |
F2bi—B1b—F4b | 91.6 (17) | 84.5 (18) | 97.5 (16) |
F2bi—B1b—F4bi | 119.0 (17) | 111.5 (17) | 125.1 (17) |
F3b—B1b—F3bi | 104.4 (12) | 102.5 (12) | 106.5 (12) |
F3b—B1b—F4b | 108.0 (14) | 107.9 (14) | 108.1 (14) |
F3b—B1b—F4bi | 137.2 (14) | 136.2 (14) | 138.4 (14) |
F3bi—B1b—F4b | 126.6 (13) | 121.4 (13) | 131.2 (12) |
F3bi—B1b—F4bi | 95.1 (12) | 92.7 (12) | 97.4 (13) |
F4b—B1b—F4bi | 34.7 (8) | 32.9 (8) | 36.0 (8) |
B1a—F1b—B1ai | 10.2 (5) | 9.9 (5) | 10.7 (5) |
B1a—F1b—F2a | 89 (9) | 83 (5) | 95 (12) |
B1a—F1b—F2ai | 77 (7) | 58 (13) | 85 (5) |
B1a—F1b—B1b | 10.5 (5) | 7.6 (5) | 14.1 (5) |
B1a—F1b—B1bi | 14.9 (5) | 13.5 (5) | 16.5 (5) |
B1a—F1b—F1bi | 100 (40) | 20 (30) | 160 (40) |
B1ai—F1b—F2a | 80 (9) | 76 (5) | 83 (16) |
B1ai—F1b—F2ai | 85 (8) | 68 (13) | 93 (6) |
B1ai—F1b—B1b | 14.7 (5) | 13.3 (5) | 16.8 (5) |
B1ai—F1b—B1bi | 11.1 (5) | 7.3 (4) | 14.7 (6) |
B1ai—F1b—F1bi | 90 (40) | 20 (40) | 150 (30) |
F2a—F1b—F2ai | 125 (14) | 103 (12) | 144 (15) |
F2a—F1b—B1b | 94 (9) | 89 (5) | 97 (12) |
F2a—F1b—B1bi | 85 (9) | 79 (4) | 89 (11) |
F2a—F1b—F1bi | 80 (30) | 58 (19) | 120 (20) |
F2ai—F1b—B1b | 81 (8) | 66 (13) | 88 (5) |
F2ai—F1b—B1bi | 90 (8) | 72 (13) | 98 (5) |
F2ai—F1b—F1bi | 90 (30) | 50 (20) | 110 (20) |
B1b—F1b—B1bi | 10.5 (4) | 10.3 (3) | 10.8 (4) |
B1b—F1b—F1bi | 100 (40) | 20 (30) | 170 (30) |
B1bi—F1b—F1bi | 90 (40) | 10 (30) | 160 (30) |
N1iv—F2b—B1a | 106.7 (8) | 104.7 (9) | 109.4 (8) |
N1iv—F2b—B1ai | 112.9 (9) | 110.9 (7) | 115.2 (10) |
N1iv—F2b—F3ai | 46 (3) | 33 (4) | 55.6 (17) |
N1iv—F2b—F4a | 139 (2) | 129.2 (15) | 150 (3) |
N1iv—F2b—B1b | 98.3 (8) | 98.0 (9) | 98.6 (8) |
N1iv—F2b—B1bi | 103.7 (10) | 100.4 (11) | 106.2 (8) |
N1iv—F2b—F3bi | 66 (4) | 63 (3) | 68 (4) |
B1a—F2b—B1ai | 6.7 (5) | 3.6 (5) | 9.4 (5) |
B1a—F2b—F3ai | 83 (2) | 76.0 (16) | 92 (3) |
B1a—F2b—F4a | 67.0 (14) | 59.7 (11) | 73.5 (17) |
B1a—F2b—B1b | 9.0 (4) | 7.0 (4) | 11.7 (4) |
B1a—F2b—B1bi | 7.4 (5) | 3.2 (5) | 10.0 (5) |
B1a—F2b—F3bi | 113 (4) | 106 (3) | 121 (5) |
B1ai—F2b—F3ai | 86 (2) | 79.7 (18) | 94 (3) |
B1ai—F2b—F4a | 62.9 (15) | 57.6 (12) | 67.4 (16) |
B1ai—F2b—B1b | 14.9 (4) | 13.3 (4) | 16.8 (4) |
B1ai—F2b—B1bi | 9.9 (5) | 5.6 (4) | 14.0 (5) |
B1ai—F2b—F3bi | 115 (4) | 107 (3) | 122 (5) |
F3ai—F2b—F4a | 146 (3) | 136 (4) | 154 (3) |
F3ai—F2b—B1b | 74 (2) | 70.0 (16) | 81 (3) |
F3ai—F2b—B1bi | 77 (2) | 66.6 (17) | 87 (3) |
F3ai—F2b—F3bi | 43 (4) | 32 (2) | 58 (6) |
F4a—F2b—B1b | 75.2 (15) | 69.4 (12) | 81.2 (17) |
F4a—F2b—B1bi | 73.6 (16) | 62.9 (13) | 82.2 (19) |
F4a—F2b—F3bi | 156 (4) | 146 (4) | 164 (5) |
B1b—F2b—B1bi | 7.3 (3) | 6.4 (3) | 8.5 (3) |
B1b—F2b—F3bi | 107 (3) | 102 (3) | 114 (4) |
B1bi—F2b—F3bi | 107 (4) | 96 (3) | 118 (5) |
N1iv—F3b—B1a | 111.7 (8) | 109.3 (8) | 114.4 (8) |
N1iv—F3b—F3a | 62 (5) | 56 (6) | 68 (4) |
N1iv—F3b—F4ai | 120.2 (15) | 117.4 (14) | 122.7 (15) |
N1iv—F3b—B1b | 105.6 (8) | 105.3 (8) | 105.8 (8) |
N1iv—F3b—B1bi | 99.8 (7) | 98.6 (8) | 101.1 (7) |
N1iv—F3b—F2bi | 106 (4) | 104 (4) | 107 (5) |
B1a—F3b—F3a | 52 (5) | 45 (4) | 59 (5) |
B1a—F3b—F4ai | 48.4 (10) | 47.4 (9) | 49.8 (10) |
B1a—F3b—B1b | 6.8 (4) | 4.1 (4) | 9.9 (4) |
B1a—F3b—B1bi | 13.0 (4) | 11.5 (4) | 14.5 (4) |
B1a—F3b—F2bi | 50 (3) | 47 (4) | 52 (2) |
F3a—F3b—F4ai | 84 (5) | 65 (5) | 103 (5) |
F3a—F3b—B1b | 46 (5) | 38 (4) | 51 (5) |
F3a—F3b—B1bi | 41 (5) | 34 (4) | 45 (4) |
F3a—F3b—F2bi | 73 (5) | 56 (5) | 93 (4) |
F4ai—F3b—B1b | 54.5 (11) | 50.9 (10) | 58.3 (11) |
F4ai—F3b—B1bi | 58.1 (10) | 55.6 (10) | 60.2 (10) |
F4ai—F3b—F2bi | 15 (3) | 11 (3) | 18 (2) |
B1b—F3b—B1bi | 6.3 (3) | 4.7 (3) | 8.3 (2) |
B1b—F3b—F2bi | 54 (3) | 50 (4) | 58 (2) |
B1bi—F3b—F2bi | 56 (3) | 55 (3) | 57.1 (19) |
N1—F4b—B1a | 153.2 (12) | 143.3 (9) | 163.4 (18) |
N1—F4b—B1ai | 145.6 (11) | 134.7 (10) | 156.8 (13) |
N1—F4b—F1a | 96 (3) | 92 (2) | 99 (3) |
N1—F4b—F1ai | 80.8 (10) | 76.9 (9) | 84.5 (13) |
N1—F4b—F4a | 107.7 (8) | 102.2 (8) | 114.5 (9) |
N1—F4b—F4ai | 138.2 (18) | 134.8 (14) | 140 (2) |
N1—F4b—B1b | 157.9 (9) | 147.8 (8) | 168.7 (10) |
N1—F4b—B1bi | 148.5 (8) | 139.8 (8) | 158.2 (9) |
N1—F4b—F4bi | 80.9 (19) | 76.7 (18) | 85.2 (19) |
B1a—F4b—B1ai | 10.9 (5) | 10.0 (5) | 11.5 (6) |
B1a—F4b—F1a | 101 (3) | 93 (2) | 105 (4) |
B1a—F4b—F1ai | 74.3 (11) | 68.8 (9) | 80.6 (13) |
B1a—F4b—F4a | 51.2 (10) | 44.9 (9) | 60.1 (11) |
B1a—F4b—F4ai | 61.8 (14) | 61.1 (14) | 62.5 (15) |
B1a—F4b—B1b | 6.8 (6) | 4.7 (5) | 9.1 (6) |
B1a—F4b—B1bi | 8.9 (5) | 5.3 (5) | 13.0 (5) |
B1a—F4b—F4bi | 73.7 (18) | 67.1 (17) | 82.2 (18) |
B1ai—F4b—F1a | 108 (3) | 105 (2) | 111 (3) |
B1ai—F4b—F1ai | 64.9 (10) | 57.7 (8) | 72.4 (12) |
B1ai—F4b—F4a | 43.2 (9) | 38.4 (9) | 48.7 (10) |
B1ai—F4b—F4ai | 69.8 (15) | 67.2 (14) | 72.1 (16) |
B1ai—F4b—B1b | 14.2 (5) | 11.9 (5) | 16.8 (5) |
B1ai—F4b—B1bi | 7.0 (5) | 4.9 (5) | 9.0 (5) |
B1ai—F4b—F4bi | 64.9 (17) | 57.5 (16) | 72.3 (17) |
F1a—F4b—F1ai | 131 (5) | 120 (5) | 137 (5) |
F1a—F4b—F4a | 149 (3) | 142 (4) | 153 (2) |
F1a—F4b—F4ai | 85 (3) | 68 (2) | 105 (3) |
F1a—F4b—B1b | 102 (3) | 96.5 (19) | 106 (4) |
F1a—F4b—B1bi | 109 (3) | 106 (2) | 112 (3) |
F1a—F4b—F4bi | 144 (7) | 132 (6) | 154 (7) |
F1ai—F4b—F4a | 44.8 (9) | 37.8 (8) | 52.4 (11) |
F1ai—F4b—F4ai | 130 (2) | 119 (2) | 138 (2) |
F1ai—F4b—B1b | 78.8 (10) | 72.5 (9) | 84.6 (12) |
F1ai—F4b—B1bi | 69.7 (9) | 64.9 (8) | 74.3 (11) |
F1ai—F4b—F4bi | 14 (3) | 9(3) | 18 (3) |
F4a—F4b—F4ai | 86.0 (18) | 80.0 (17) | 91.7 (19) |
F4a—F4b—B1b | 50.7 (9) | 45.7 (8) | 57.6 (10) |
F4a—F4b—B1bi | 42.6 (8) | 39.2 (7) | 47.7 (9) |
F4a—F4b—F4bi | 34 (2) | 29 (2) | 40 (3) |
F4ai—F4b—B1b | 56.0 (12) | 53.8 (12) | 58.5 (13) |
F4ai—F4b—B1bi | 63.7 (13) | 60.8 (13) | 66.3 (13) |
F4ai—F4b—F4bi | 121 (4) | 110 (4) | 132 (3) |
B1b—F4b—B1bi | 9.4 (3) | 7.8 (3) | 10.9 (3) |
B1b—F4b—F4bi | 77.0 (18) | 70.2 (18) | 84.6 (19) |
B1bi—F4b—F4bi | 67.6 (18) | 62.5 (17) | 73.8 (18) |
Symmetry codes: (i) x1, x2, −x3+1/2, x4+1/2; (ii) x1+1/2, −x2+1/2, −x3+1/2, x4+1/2; (iii) x1+1/2, −x2+1/2, x3, x4; (iv) x1−1/2, −x2+1/2, −x3+1/2, x4+1/2. |
(mfb_n160) top
Crystal data top
BF4·C4H10NO | F(000) = 360 |
Mr = 174.9 | Dx = 1.585 Mg m−3 |
Orthorhombic, Pnam | Mo Kα radiation, λ = 0.71069 Å |
Hall symbol: -P -2xabc;-2yab;-2zc | Cell parameters from 2015 reflections |
a = 8.13100 (12) Å | θ = 2.1–37.6° |
b = 9.4072 (2) Å | µ = 0.17 mm−1 |
c = 9.5845 (3) Å | T = 160 K |
V = 733.11 (3) Å3 | Irregular, colourless |
Z = 4 | 0.29 × 0.22 × 0.15 mm |
Data collection top
Mar345 diffractometer | 1797 independent reflections |
Radiation source: X-ray tube | 997 reflections with I > 3σ(I) |
Graphite monochromator | Rint = 0.053 |
φ scans | θmax = 39.1°, θmin = 3.0° |
Absorption correction: empirical (using intensity measurements) SADABS; Sheldrick,2008 | h = −10→10 |
Tmin = 0.447, Tmax = 0.748 | k = −13→16 |
13271 measured reflections | l = −17→16 |
Refinement top
Refinement on F | 22 constraints |
R[F2 > 2σ(F2)] = 0.050 | H-atom parameters constrained |
wR(F2) = 0.069 | Weighting scheme based on measured s.u.'s w = 1/(σ2(F) + 0.0001F2) |
S = 2.44 | (Δ/σ)max = 0.0001 |
1797 reflections | Δρmax = 0.26 e Å−3 |
93 parameters | Δρmin = −0.30 e Å−3 |
0 restraints |
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
x | y | z | Uiso*/Ueq | Occ. (<1) | |
O1 | 0.02967 (14) | 0.76002 (11) | 0.25 | 0.0369 (4) | |
N1 | 0.26669 (14) | 0.53944 (11) | 0.25 | 0.0278 (4) | |
C1 | 0.12308 (14) | 0.73029 (12) | 0.37276 (13) | 0.0373 (4) | |
C2 | 0.17054 (14) | 0.57537 (11) | 0.37765 (12) | 0.0326 (3) | |
H1c | 0.290812 | 0.443886 | 0.25 | 0.0417* | |
H2b | 0.236621 | 0.557948 | 0.458878 | 0.0391* | |
H2a | 0.073017 | 0.517953 | 0.381035 | 0.0391* | |
H1d | 0.363752 | 0.589697 | 0.25 | 0.0417* | |
H1b | 0.059043 | 0.753493 | 0.453771 | 0.0448* | |
H1a | 0.220588 | 0.78783 | 0.373311 | 0.0448* | |
B1a | 0.1760 (14) | 0.1503 (14) | 0.2613 (11) | 0.027 (2) | 0.188 (13) |
F1a | 0.233 (2) | 0.261 (2) | 0.341 (2) | 0.053 (6) | 0.188 (13) |
F2a | 0.300 (2) | 0.056 (2) | 0.2297 (17) | 0.051 (6) | 0.188 (13) |
F3a | 0.053 (2) | 0.080 (2) | 0.333 (2) | 0.061 (6) | 0.188 (13) |
F4a | 0.117 (3) | 0.203 (2) | 0.1374 (14) | 0.080 (6) | 0.188 (13) |
B1b | 0.1539 (9) | 0.1233 (6) | 0.2354 (8) | 0.0251 (13) | 0.312 (13) |
F1b | 0.295 (3) | 0.046 (3) | 0.254 (2) | 0.044 (3) | 0.312 (13) |
F2b | 0.060 (3) | 0.068 (3) | 0.1289 (19) | 0.032 (4) | 0.312 (13) |
F3b | 0.064 (3) | 0.122 (3) | 0.357 (2) | 0.057 (4) | 0.312 (13) |
F4b | 0.195 (4) | 0.260 (2) | 0.199 (2) | 0.065 (4) | 0.312 (13) |
Atomic displacement parameters (Å2) top
U11 | U22 | U33 | U12 | U13 | U23 | |
O1 | 0.0284 (6) | 0.0262 (5) | 0.0560 (8) | 0.0082 (4) | 0 | 0 |
N1 | 0.0239 (7) | 0.0155 (5) | 0.0439 (7) | −0.0005 (4) | 0 | 0 |
C1 | 0.0360 (7) | 0.0310 (6) | 0.0449 (7) | 0.0035 (4) | −0.0010 (5) | −0.0112 (5) |
C2 | 0.0387 (7) | 0.0292 (5) | 0.0299 (5) | 0.0007 (4) | −0.0024 (5) | 0.0002 (4) |
B1a | 0.030 (4) | 0.017 (3) | 0.034 (4) | 0.001 (2) | −0.004 (3) | −0.001 (2) |
F1a | 0.077 (11) | 0.024 (8) | 0.058 (10) | −0.026 (8) | −0.009 (9) | −0.001 (7) |
F2a | 0.040 (8) | 0.056 (10) | 0.056 (12) | 0.022 (7) | 0.006 (8) | 0.001 (9) |
F3a | 0.037 (8) | 0.055 (12) | 0.090 (10) | −0.027 (8) | 0.021 (7) | −0.023 (9) |
F4a | 0.099 (12) | 0.103 (13) | 0.038 (5) | 0.058 (10) | −0.022 (6) | −0.005 (6) |
B1b | 0.0262 (19) | 0.015 (2) | 0.034 (2) | −0.0026 (11) | 0.0002 (10) | −0.0010 (16) |
F1b | 0.032 (4) | 0.031 (7) | 0.070 (7) | 0.006 (4) | −0.008 (4) | −0.007 (5) |
F2b | 0.036 (5) | 0.032 (7) | 0.028 (6) | −0.007 (5) | 0.000 (4) | −0.001 (5) |
F3b | 0.049 (7) | 0.091 (7) | 0.032 (6) | 0.003 (5) | 0.006 (5) | −0.016 (4) |
F4b | 0.057 (7) | 0.018 (6) | 0.122 (7) | −0.015 (4) | −0.015 (5) | 0.012 (5) |
Geometric parameters (Å, º) top
O1—C1 | 1.4281 (14) | B1a—F3b | 1.32 (3) |
O1—C1i | 1.4281 (14) | B1a—F3bi | 1.48 (3) |
N1—C2 | 1.4907 (13) | B1a—F4b | 1.20 (2) |
N1—C2i | 1.4907 (13) | B1a—F4bi | 1.11 (2) |
N1—H1c | 0.92 | F1a—F4ai | 1.11 (3) |
N1—H1d | 0.92 | F1a—F4b | 1.40 (3) |
N1—F1a | 2.778 (19) | F1a—F4bi | 0.50 (3) |
N1—F1ai | 2.778 (19) | F2a—F2ai | 0.39 (2) |
N1—F3aii | 2.707 (19) | F2a—B1b | 1.345 (18) |
N1—F3aiii | 2.707 (19) | F2a—B1bi | 1.385 (18) |
N1—F2bii | 2.84 (2) | F2a—F1b | 0.25 (3) |
N1—F2biii | 2.84 (2) | F2a—F1bi | 0.19 (3) |
N1—F3bii | 3.03 (2) | F3a—F3ai | 1.59 (3) |
N1—F3biii | 3.03 (2) | F3a—F4ai | 1.30 (3) |
N1—F4b | 2.73 (2) | F3a—B1b | 1.30 (2) |
N1—F4bi | 2.73 (2) | F3a—B1bi | 1.12 (2) |
C1—C2 | 1.5083 (15) | F3a—F2bi | 0.39 (3) |
C1—H1b | 0.96 | F3a—F3b | 0.47 (3) |
C1—H1a | 0.96 | F4a—B1b | 1.240 (19) |
C2—H2b | 0.96 | F4a—B1bi | 1.463 (18) |
C2—H2a | 0.96 | F4a—F2b | 1.35 (3) |
B1a—B1ai | 0.217 (15) | F4a—F3bi | 0.88 (3) |
B1a—F1a | 1.37 (2) | F4a—F4b | 1.02 (3) |
B1a—F1ai | 1.50 (2) | B1b—B1bi | 0.279 (11) |
B1a—F2a | 1.37 (2) | B1b—F1b | 1.37 (3) |
B1a—F2ai | 1.34 (2) | B1b—F1bi | 1.36 (3) |
B1a—F3a | 1.38 (2) | B1b—F2b | 1.37 (2) |
B1a—F3ai | 1.50 (2) | B1b—F3b | 1.38 (2) |
B1a—F4a | 1.37 (2) | B1b—F3bi | 1.15 (2) |
B1a—F4ai | 1.19 (2) | B1b—F4b | 1.37 (2) |
B1a—B1b | 0.398 (14) | B1b—F4bi | 1.47 (2) |
B1a—B1bi | 0.313 (14) | F1b—F1bi | 0.08 (3) |
B1a—F1b | 1.38 (3) | F2b—F3bi | 0.52 (4) |
B1a—F1bi | 1.39 (3) | F4b—F4bi | 0.97 (3) |
C1—O1—C1i | 110.95 (10) | N1iv—F3a—F4ai | 141.0 (16) |
C2—N1—C2i | 110.31 (9) | N1iv—F3a—B1b | 117.3 (13) |
C2—N1—H1c | 109.47 | N1iv—F3a—B1bi | 127.4 (15) |
C2—N1—H1d | 109.47 | N1iv—F3a—F2bi | 106 (4) |
C2—N1—F1a | 84.5 (4) | N1iv—F3a—F3b | 131 (4) |
C2—N1—F1ai | 114.9 (4) | B1a—F3a—B1ai | 7.2 (6) |
C2—N1—F3aii | 141.8 (5) | B1a—F3a—F3ai | 60.2 (12) |
C2—N1—F3aiii | 107.8 (5) | B1a—F3a—F4ai | 52.8 (12) |
C2—N1—F2bii | 100.7 (4) | B1a—F3a—B1b | 16.8 (6) |
C2—N1—F2biii | 149.0 (4) | B1a—F3a—B1bi | 8.3 (6) |
C2—N1—F3bii | 144.0 (4) | B1a—F3a—F2bi | 120 (5) |
C2—N1—F3biii | 104.7 (4) | B1a—F3a—F3b | 73 (4) |
C2—N1—F4b | 104.5 (5) | B1ai—F3a—F3ai | 53.0 (11) |
C2—N1—F4bi | 87.7 (5) | B1ai—F3a—F4ai | 58.4 (12) |
C2i—N1—H1c | 109.47 | B1ai—F3a—B1b | 10.1 (6) |
C2i—N1—H1d | 109.47 | B1ai—F3a—B1bi | 5.9 (6) |
C2i—N1—F1a | 114.9 (4) | B1ai—F3a—F2bi | 127 (5) |
C2i—N1—F1ai | 84.5 (4) | B1ai—F3a—F3b | 79 (4) |
C2i—N1—F3aii | 107.8 (5) | F3ai—F3a—F4ai | 102.7 (16) |
C2i—N1—F3aiii | 141.8 (5) | F3ai—F3a—B1b | 44.4 (10) |
C2i—N1—F2bii | 149.0 (4) | F3ai—F3a—B1bi | 54.4 (12) |
C2i—N1—F2biii | 100.7 (4) | F3ai—F3a—F2bi | 161 (5) |
C2i—N1—F3bii | 104.7 (4) | F3ai—F3a—F3b | 120 (4) |
C2i—N1—F3biii | 144.0 (4) | F4ai—F3a—B1b | 68.4 (13) |
C2i—N1—F4b | 87.7 (5) | F4ai—F3a—B1bi | 61.1 (13) |
C2i—N1—F4bi | 104.5 (5) | F4ai—F3a—F2bi | 90 (5) |
H1c—N1—H1d | 108.62 | F4ai—F3a—F3b | 21 (3) |
H1c—N1—F1a | 25.6 | B1b—F3a—B1bi | 10.0 (6) |
H1c—N1—F1ai | 25.6 | B1b—F3a—F2bi | 133 (5) |
H1c—N1—F3aii | 53.86 | B1b—F3a—F3b | 89 (4) |
H1c—N1—F3aiii | 53.86 | B1bi—F3a—F2bi | 123 (5) |
H1c—N1—F2bii | 58.16 | B1bi—F3a—F3b | 82 (4) |
H1c—N1—F2biii | 58.16 | F2bi—F3a—F3b | 75 (6) |
H1c—N1—F3bii | 48.76 | B1a—F4a—B1ai | 5.3 (8) |
H1c—N1—F3biii | 48.76 | B1a—F4a—F1ai | 73.6 (15) |
H1c—N1—F4b | 26.79 | B1a—F4a—F3ai | 68.1 (14) |
H1c—N1—F4bi | 26.79 | B1a—F4a—B1b | 16.5 (7) |
H1d—N1—F1a | 124.66 | B1a—F4a—B1bi | 12.1 (6) |
H1d—N1—F1ai | 124.66 | B1a—F4a—F2b | 80.3 (14) |
H1d—N1—F3aii | 58.33 | B1a—F4a—F3bi | 79 (2) |
H1d—N1—F3aiii | 58.33 | B1a—F4a—F4b | 58.0 (15) |
H1d—N1—F2bii | 57.49 | B1ai—F4a—F1ai | 73.0 (17) |
H1d—N1—F2biii | 57.49 | B1ai—F4a—F3ai | 67.0 (15) |
H1d—N1—F3bii | 64.79 | B1ai—F4a—B1b | 14.6 (7) |
H1d—N1—F3biii | 64.79 | B1ai—F4a—B1bi | 12.7 (7) |
H1d—N1—F4b | 132.65 | B1ai—F4a—F2b | 78.2 (15) |
H1d—N1—F4bi | 132.65 | B1ai—F4a—F3bi | 78 (2) |
F1a—N1—F1ai | 36.7 (6) | B1ai—F4a—F4b | 59.7 (16) |
F1a—N1—F3aii | 77.5 (6) | F1ai—F4a—F3ai | 137 (2) |
F1a—N1—F3aiii | 66.4 (6) | F1ai—F4a—B1b | 87.0 (17) |
F1a—N1—F2bii | 67.4 (6) | F1ai—F4a—B1bi | 85.4 (15) |
F1a—N1—F2biii | 82.7 (6) | F1ai—F4a—F2b | 139 (2) |
F1a—N1—F3bii | 73.2 (6) | F1ai—F4a—F3bi | 146 (3) |
F1a—N1—F3biii | 59.9 (6) | F1ai—F4a—F4b | 26.8 (19) |
F1a—N1—F4b | 29.3 (6) | F3ai—F4a—B1b | 52.4 (13) |
F1a—N1—F4bi | 10.4 (7) | F3ai—F4a—B1bi | 56.0 (12) |
F1ai—N1—F3aii | 66.4 (6) | F3ai—F4a—F2b | 16.7 (13) |
F1ai—N1—F3aiii | 77.5 (6) | F3ai—F4a—F3bi | 10.8 (18) |
F1ai—N1—F2bii | 82.7 (6) | F3ai—F4a—F4b | 126 (2) |
F1ai—N1—F2biii | 67.4 (6) | B1b—F4a—B1bi | 7.2 (4) |
F1ai—N1—F3bii | 59.9 (6) | B1b—F4a—F2b | 63.9 (13) |
F1ai—N1—F3biii | 73.2 (6) | B1b—F4a—F3bi | 63.1 (19) |
F1ai—N1—F4b | 10.4 (7) | B1b—F4a—F4b | 74.2 (16) |
F1ai—N1—F4bi | 29.3 (6) | B1bi—F4a—F2b | 68.8 (12) |
F3aii—N1—F3aiii | 34.1 (7) | B1bi—F4a—F3bi | 66.8 (18) |
F3aii—N1—F2bii | 41.2 (6) | B1bi—F4a—F4b | 70.0 (15) |
F3aii—N1—F2biii | 7.5 (6) | F2b—F4a—F3bi | 11.7 (18) |
F3aii—N1—F3bii | 6.7 (6) | F2b—F4a—F4b | 138 (2) |
F3aii—N1—F3biii | 37.4 (6) | F3bi—F4a—F4b | 137 (3) |
F3aii—N1—F4b | 74.5 (8) | B1a—B1b—B1ai | 33 (3) |
F3aii—N1—F4bi | 80.6 (8) | B1a—B1b—F2a | 86 (2) |
F3aiii—N1—F2bii | 7.5 (6) | B1a—B1b—F2ai | 76 (2) |
F3aiii—N1—F2biii | 41.2 (6) | B1a—B1b—F3a | 92 (2) |
F3aiii—N1—F3bii | 37.4 (6) | B1a—B1b—F3ai | 157 (2) |
F3aiii—N1—F3biii | 6.7 (6) | B1a—B1b—F4a | 101 (2) |
F3aiii—N1—F4b | 80.6 (8) | B1a—B1b—F4ai | 41 (2) |
F3aiii—N1—F4bi | 74.5 (8) | B1a—B1b—B1bi | 51 (2) |
F2bii—N1—F2biii | 48.2 (5) | B1a—B1b—F1b | 83 (2) |
F2bii—N1—F3bii | 44.8 (6) | B1a—B1b—F1bi | 85 (2) |
F2bii—N1—F3biii | 9.5 (7) | B1a—B1b—F2b | 162 (2) |
F2bii—N1—F4b | 84.8 (8) | B1a—B1b—F3b | 74 (2) |
F2bii—N1—F4bi | 76.4 (8) | B1a—B1b—F3bi | 141 (2) |
F2biii—N1—F3bii | 9.5 (7) | B1a—B1b—F4b | 57 (2) |
F2biii—N1—F3biii | 44.8 (6) | B1a—B1b—F4bi | 22 (2) |
F2biii—N1—F4b | 76.4 (8) | B1ai—B1b—F2a | 83 (3) |
F2biii—N1—F4bi | 84.8 (8) | B1ai—B1b—F2ai | 82 (3) |
F3bii—N1—F3biii | 39.6 (6) | B1ai—B1b—F3a | 123 (3) |
F3bii—N1—F4b | 68.3 (8) | B1ai—B1b—F3ai | 140 (3) |
F3bii—N1—F4bi | 75.5 (8) | B1ai—B1b—F4a | 74 (3) |
F3biii—N1—F4b | 75.5 (8) | B1ai—B1b—F4ai | 68 (3) |
F3biii—N1—F4bi | 68.3 (8) | B1ai—B1b—B1bi | 84 (3) |
F4b—N1—F4bi | 20.5 (6) | B1ai—B1b—F1b | 86 (3) |
O1—C1—C2 | 110.54 (10) | B1ai—B1b—F1bi | 87 (3) |
O1—C1—H1b | 109.47 | B1ai—B1b—F2b | 134 (3) |
O1—C1—H1a | 109.47 | B1ai—B1b—F3b | 103 (3) |
C2—C1—H1b | 109.47 | B1ai—B1b—F3bi | 117 (3) |
C2—C1—H1a | 109.47 | B1ai—B1b—F4b | 29 (3) |
H1b—C1—H1a | 108.38 | B1ai—B1b—F4bi | 28 (3) |
N1—C2—C1 | 109.13 (9) | F2a—B1b—F2ai | 16.3 (10) |
N1—C2—H2b | 109.47 | F2a—B1b—F3a | 115.8 (12) |
N1—C2—H2a | 109.47 | F2a—B1b—F3ai | 116.7 (14) |
C1—C2—H2b | 109.47 | F2a—B1b—F4a | 117.9 (14) |
C1—C2—H2a | 109.47 | F2a—B1b—F4ai | 117.2 (12) |
H2b—C2—H2a | 109.81 | F2a—B1b—B1bi | 92 (2) |
B1ai—B1a—F1a | 124 (5) | F2a—B1b—F1b | 10.7 (12) |
B1ai—B1a—F1ai | 49 (5) | F2a—B1b—F1bi | 7.9 (12) |
B1ai—B1a—F2a | 77 (5) | F2a—B1b—F2b | 106.3 (13) |
B1ai—B1a—F2ai | 94 (5) | F2a—B1b—F3b | 120.0 (14) |
B1ai—B1a—F3a | 120 (5) | F2a—B1b—F3bi | 121.7 (15) |
B1ai—B1a—F3ai | 53 (4) | F2a—B1b—F4b | 102.6 (16) |
B1ai—B1a—F4a | 30 (4) | F2a—B1b—F4bi | 103.4 (15) |
B1ai—B1a—F4ai | 145 (5) | F2ai—B1b—F3a | 102.8 (12) |
B1ai—B1a—B1b | 51 (4) | F2ai—B1b—F3ai | 126.8 (13) |
B1ai—B1a—B1bi | 96 (5) | F2ai—B1b—F4a | 131.9 (14) |
B1ai—B1a—F1b | 87 (5) | F2ai—B1b—F4ai | 102.1 (12) |
B1ai—B1a—F1bi | 84 (5) | F2ai—B1b—B1bi | 76 (2) |
B1ai—B1a—F3b | 134 (5) | F2ai—B1b—F1b | 7.7 (12) |
B1ai—B1a—F3bi | 40 (4) | F2ai—B1b—F1bi | 10.6 (12) |
B1ai—B1a—F4b | 60 (5) | F2ai—B1b—F2b | 118.8 (13) |
B1ai—B1a—F4bi | 110 (5) | F2ai—B1b—F3b | 104.3 (13) |
F1a—B1a—F1ai | 74.7 (13) | F2ai—B1b—F3bi | 136.6 (15) |
F1a—B1a—F2a | 111.2 (13) | F2ai—B1b—F4b | 106.4 (16) |
F1a—B1a—F2ai | 102.0 (13) | F2ai—B1b—F4bi | 96.0 (15) |
F1a—B1a—F3a | 109.3 (14) | F3a—B1b—F3ai | 81.2 (15) |
F1a—B1a—F3ai | 153.7 (14) | F3a—B1b—F4a | 125.2 (15) |
F1a—B1a—F4a | 109.1 (15) | F3a—B1b—F4ai | 55.6 (13) |
F1a—B1a—F4ai | 50.8 (14) | F3a—B1b—B1bi | 44 (2) |
F1a—B1a—B1b | 170 (3) | F3a—B1b—F1b | 105.5 (14) |
F1a—B1a—B1bi | 139 (3) | F3a—B1b—F1bi | 108.0 (14) |
F1a—B1a—F1b | 109.0 (15) | F3a—B1b—F2b | 93.8 (13) |
F1a—B1a—F1bi | 110.8 (15) | F3a—B1b—F3b | 19.8 (14) |
F1a—B1a—F3b | 90.0 (15) | F3a—B1b—F3bi | 98.6 (16) |
F1a—B1a—F3bi | 140.7 (16) | F3a—B1b—F4b | 128.5 (15) |
F1a—B1a—F4b | 65.3 (15) | F3a—B1b—F4bi | 96.3 (14) |
F1a—B1a—F4bi | 20.0 (16) | F3ai—B1b—F4a | 66.5 (15) |
F1ai—B1a—F2a | 94.2 (12) | F3ai—B1b—F4ai | 121.3 (15) |
F1ai—B1a—F2ai | 105.3 (13) | F3ai—B1b—B1bi | 126 (2) |
F1ai—B1a—F3a | 151.7 (14) | F3ai—B1b—F1b | 119.6 (16) |
F1ai—B1a—F3ai | 96.8 (13) | F3ai—B1b—F1bi | 117.7 (16) |
F1ai—B1a—F4a | 45.1 (13) | F3ai—B1b—F2b | 13.6 (13) |
F1ai—B1a—F4ai | 111.7 (16) | F3ai—B1b—F3b | 95.9 (15) |
F1ai—B1a—B1b | 100 (2) | F3ai—B1b—F3bi | 23.6 (16) |
F1ai—B1a—B1bi | 144 (3) | F3ai—B1b—F4b | 111.5 (16) |
F1ai—B1a—F1b | 103.8 (14) | F3ai—B1b—F4bi | 136.7 (16) |
F1ai—B1a—F1bi | 101.6 (14) | F4a—B1b—F4ai | 105.6 (12) |
F1ai—B1a—F3b | 143.9 (16) | F4a—B1b—B1bi | 139 (2) |
F1ai—B1a—F3bi | 79.3 (13) | F4a—B1b—F1b | 128.6 (15) |
F1ai—B1a—F4b | 17.1 (15) | F4a—B1b—F1bi | 125.8 (15) |
F1ai—B1a—F4bi | 62.4 (15) | F4a—B1b—F2b | 62.0 (14) |
F2a—B1a—F2ai | 16.4 (10) | F4a—B1b—F3b | 121.1 (15) |
F2a—B1a—F3a | 109.3 (14) | F4a—B1b—F3bi | 42.9 (16) |
F2a—B1a—F3ai | 94.1 (13) | F4a—B1b—F4b | 45.6 (15) |
F2a—B1a—F4a | 107.4 (13) | F4a—B1b—F4bi | 81.1 (13) |
F2a—B1a—F4ai | 138.1 (15) | F4ai—B1b—B1bi | 33.6 (18) |
F2a—B1a—B1b | 77 (2) | F4ai—B1b—F1b | 109.7 (14) |
F2a—B1a—B1bi | 85 (3) | F4ai—B1b—F1bi | 112.7 (14) |
F2a—B1a—F1b | 10.6 (12) | F4ai—B1b—F2b | 134.2 (14) |
F2a—B1a—F1bi | 7.7 (12) | F4ai—B1b—F3b | 35.8 (14) |
F2a—B1a—F3b | 121.9 (16) | F4ai—B1b—F3bi | 121.1 (16) |
F2a—B1a—F3bi | 99.6 (14) | F4ai—B1b—F4b | 77.2 (13) |
F2a—B1a—F4b | 110.7 (18) | F4ai—B1b—F4bi | 40.7 (13) |
F2a—B1a—F4bi | 125 (2) | B1bi—B1b—F1b | 83 (2) |
F2ai—B1a—F3a | 101.2 (14) | B1bi—B1b—F1bi | 86 (2) |
F2ai—B1a—F3ai | 104.3 (13) | B1bi—B1b—F2b | 138 (2) |
F2ai—B1a—F4a | 123.8 (14) | B1bi—B1b—F3b | 32 (2) |
F2ai—B1a—F4ai | 121.7 (15) | B1bi—B1b—F3bi | 140 (3) |
F2ai—B1a—B1b | 88 (2) | B1bi—B1b—F4b | 105 (2) |
F2ai—B1a—B1bi | 84 (3) | B1bi—B1b—F4bi | 64.8 (18) |
F2ai—B1a—F1b | 7.7 (12) | F1b—B1b—F1bi | 3.2 (13) |
F2ai—B1a—F1bi | 10.5 (12) | F1b—B1b—F2b | 111.2 (15) |
F2ai—B1a—F3b | 109.9 (16) | F1b—B1b—F3b | 109.3 (15) |
F2ai—B1a—F3bi | 113.1 (15) | F1b—B1b—F3bi | 128.9 (17) |
F2ai—B1a—F4b | 120.3 (19) | F1b—B1b—F4b | 109.1 (18) |
F2ai—B1a—F4bi | 119 (2) | F1b—B1b—F4bi | 102.8 (17) |
F3a—B1a—F3ai | 66.8 (13) | F1bi—B1b—F2b | 108.7 (15) |
F3a—B1a—F4a | 110.4 (15) | F1bi—B1b—F3b | 112.4 (15) |
F3a—B1a—F4ai | 60.2 (15) | F1bi—B1b—F3bi | 126.0 (17) |
F3a—B1a—B1b | 71 (2) | F1bi—B1b—F4b | 108.4 (18) |
F3a—B1a—B1bi | 31 (2) | F1bi—B1b—F4bi | 104.3 (17) |
F3a—B1a—F1b | 101.1 (16) | F2b—B1b—F3b | 109.3 (14) |
F3a—B1a—F1bi | 102.7 (16) | F2b—B1b—F3bi | 21.7 (16) |
F3a—B1a—F3b | 19.7 (14) | F2b—B1b—F4b | 107.4 (15) |
F3a—B1a—F3bi | 81.3 (14) | F2b—B1b—F4bi | 140.4 (15) |
F3a—B1a—F4b | 138 (2) | F3b—B1b—F3bi | 108.3 (16) |
F3a—B1a—F4bi | 112.0 (19) | F3b—B1b—F4b | 110.4 (15) |
F3ai—B1a—F4a | 53.6 (13) | F3b—B1b—F4bi | 76.5 (15) |
F3ai—B1a—F4ai | 113.9 (16) | F3bi—B1b—F4b | 88.2 (17) |
F3ai—B1a—B1b | 16.9 (18) | F3bi—B1b—F4bi | 118.7 (17) |
F3ai—B1a—B1bi | 47 (2) | F4b—B1b—F4bi | 39.8 (12) |
F3ai—B1a—F1b | 97.1 (15) | B1a—F1b—B1ai | 9.0 (7) |
F3ai—B1a—F1bi | 95.2 (14) | B1a—F1b—F2a | 83 (7) |
F3ai—B1a—F3b | 82.5 (14) | B1a—F1b—F2ai | 75 (9) |
F3ai—B1a—F3bi | 18.0 (12) | B1a—F1b—B1b | 16.6 (6) |
F3ai—B1a—F4b | 99.5 (16) | B1a—F1b—B1bi | 13.1 (6) |
F3ai—B1a—F4bi | 134.8 (19) | B1ai—F1b—F2a | 75 (7) |
F4a—B1a—F4ai | 114.3 (16) | B1ai—F1b—F2ai | 82 (10) |
F4a—B1a—B1b | 62 (2) | B1ai—F1b—B1b | 13.0 (6) |
F4a—B1a—B1bi | 100 (3) | B1ai—F1b—B1bi | 16.6 (6) |
F4a—B1a—F1b | 117.3 (15) | F2a—F1b—F2ai | 123 (15) |
F4a—B1a—F1bi | 114.2 (15) | F2a—F1b—B1b | 79 (7) |
F4a—B1a—F3b | 115.6 (16) | F2a—F1b—B1bi | 90 (7) |
F4a—B1a—F3bi | 35.6 (14) | F2ai—F1b—B1b | 90 (9) |
F4a—B1a—F4b | 46.0 (16) | F2ai—F1b—B1bi | 80 (9) |
F4a—B1a—F4bi | 90.2 (17) | B1b—F1b—B1bi | 11.7 (5) |
F4ai—B1a—B1b | 126 (3) | N1iv—F2b—F3ai | 66 (4) |
F4ai—B1a—B1bi | 91 (3) | N1iv—F2b—F4a | 126.6 (15) |
F4ai—B1a—F1b | 128.4 (16) | N1iv—F2b—B1b | 107.3 (10) |
F4ai—B1a—F1bi | 131.6 (16) | N1iv—F2b—F3bi | 107 (4) |
F4ai—B1a—F3b | 40.5 (16) | F3ai—F2b—F4a | 74 (5) |
F4ai—B1a—F3bi | 116.8 (16) | F3ai—F2b—B1b | 43 (4) |
F4ai—B1a—F4b | 95.4 (17) | F3ai—F2b—F3bi | 59 (5) |
F4ai—B1a—F4bi | 52.4 (18) | F4a—F2b—B1b | 54.1 (11) |
B1b—B1a—B1bi | 44 (2) | F4a—F2b—F3bi | 20 (3) |
B1b—B1a—F1b | 80 (2) | B1b—F2b—F3bi | 54 (3) |
B1b—B1a—F1bi | 78 (2) | N1iv—F3b—B1a | 114.5 (13) |
B1b—B1a—F3b | 90 (2) | N1iv—F3b—B1ai | 108.7 (12) |
B1b—B1a—F3bi | 29.5 (19) | N1iv—F3b—F3a | 42 (4) |
B1b—B1a—F4b | 107 (2) | N1iv—F3b—F4ai | 148 (2) |
B1b—B1a—F4bi | 150 (3) | N1iv—F3b—B1b | 98.1 (11) |
B1bi—B1a—F1b | 80 (3) | N1iv—F3b—B1bi | 104.5 (14) |
B1bi—B1a—F1bi | 81 (3) | N1iv—F3b—F2bi | 64 (3) |
B1bi—B1a—F3b | 51 (2) | B1a—F3b—B1ai | 6.0 (7) |
B1bi—B1a—F3bi | 65 (3) | B1a—F3b—F3a | 87 (4) |
B1bi—B1a—F4b | 145 (3) | B1a—F3b—F4ai | 61.8 (19) |
B1bi—B1a—F4bi | 143 (3) | B1a—F3b—B1b | 16.8 (7) |
F1b—B1a—F1bi | 3.2 (12) | B1a—F3b—B1bi | 12.2 (7) |
F1b—B1a—F3b | 112.1 (17) | B1a—F3b—F2bi | 114 (4) |
F1b—B1a—F3bi | 105.4 (16) | B1ai—F3b—F3a | 83 (4) |
F1b—B1a—F4b | 120 (2) | B1ai—F3b—F4ai | 65.6 (18) |
F1b—B1a—F4bi | 126 (2) | B1ai—F3b—B1b | 11.9 (6) |
F1bi—B1a—F3b | 114.4 (17) | B1ai—F3b—B1bi | 9.8 (7) |
F1bi—B1a—F3bi | 102.9 (15) | B1ai—F3b—F2bi | 114 (4) |
F1bi—B1a—F4b | 117.9 (19) | F3a—F3b—F4ai | 149 (5) |
F1bi—B1a—F4bi | 127 (2) | F3a—F3b—B1b | 71 (4) |
F3b—B1a—F3bi | 94.1 (15) | F3a—F3b—B1bi | 75 (4) |
F3b—B1a—F4b | 127 (2) | F3a—F3b—F2bi | 46 (4) |
F3b—B1a—F4bi | 92.6 (19) | F4ai—F3b—B1b | 77 (2) |
F3bi—B1a—F4b | 81.5 (17) | F4ai—F3b—B1bi | 74 (2) |
F3bi—B1a—F4bi | 120.7 (19) | F4ai—F3b—F2bi | 148 (5) |
F4b—B1a—F4bi | 49.5 (16) | B1b—F3b—B1bi | 7.4 (5) |
N1—F1a—B1a | 124.9 (12) | B1b—F3b—F2bi | 105 (4) |
N1—F1a—B1ai | 118.4 (11) | B1bi—F3b—F2bi | 104 (4) |
N1—F1a—F4ai | 126.9 (17) | N1—F4b—B1a | 139.9 (15) |
N1—F1a—F4b | 73.6 (12) | N1—F4b—B1ai | 149.6 (16) |
N1—F1a—F4bi | 80 (3) | N1—F4b—F1a | 77.1 (12) |
B1a—F1a—B1ai | 6.9 (7) | N1—F4b—F1ai | 90 (3) |
B1a—F1a—F4ai | 56.2 (13) | N1—F4b—F4a | 138 (2) |
B1a—F1a—F4b | 51.5 (12) | N1—F4b—B1b | 155.1 (13) |
B1a—F1a—F4bi | 49 (3) | N1—F4b—B1bi | 144.6 (13) |
B1ai—F1a—F4ai | 61.3 (13) | N1—F4b—F4bi | 79.8 (18) |
B1ai—F1a—F4b | 44.9 (12) | B1a—F4b—B1ai | 9.8 (8) |
B1ai—F1a—F4bi | 45 (3) | B1a—F4b—F1a | 63.2 (14) |
F4ai—F1a—F4b | 89.1 (19) | B1a—F4b—F1ai | 118 (4) |
F4ai—F1a—F4bi | 66 (4) | B1a—F4b—F4a | 75.9 (19) |
F4b—F1a—F4bi | 26 (4) | B1a—F4b—B1b | 16.0 (7) |
B1a—F2a—B1ai | 9.0 (7) | B1a—F4b—B1bi | 7.0 (7) |
B1a—F2a—F2ai | 77 (4) | B1a—F4b—F4bi | 60.4 (18) |
B1a—F2a—B1b | 16.8 (6) | B1ai—F4b—F1a | 72.7 (15) |
B1a—F2a—B1bi | 13.0 (6) | B1ai—F4b—F1ai | 111 (4) |
B1a—F2a—F1b | 86 (7) | B1ai—F4b—F4a | 67.9 (19) |
B1a—F2a—F1bi | 90 (10) | B1ai—F4b—B1b | 7.8 (7) |
B1ai—F2a—F2ai | 86 (4) | B1ai—F4b—B1bi | 7.7 (7) |
B1ai—F2a—B1b | 13.4 (6) | B1ai—F4b—F4bi | 70.2 (19) |
B1ai—F2a—B1bi | 16.7 (6) | F1a—F4b—F1ai | 128 (5) |
B1ai—F2a—F1b | 94 (7) | F1a—F4b—F4a | 135 (2) |
B1ai—F2a—F1bi | 98 (9) | F1a—F4b—B1b | 79.1 (14) |
F2ai—F2a—B1b | 88 (4) | F1a—F4b—B1bi | 68.8 (13) |
F2ai—F2a—B1bi | 76 (3) | F1a—F4b—F4bi | 13 (2) |
F2ai—F2a—F1b | 24 (7) | F1ai—F4b—F4a | 87 (4) |
F2ai—F2a—F1bi | 33 (9) | F1ai—F4b—B1b | 111 (4) |
B1b—F2a—B1bi | 11.6 (5) | F1ai—F4b—B1bi | 119 (4) |
B1b—F2a—F1b | 91 (7) | F1ai—F4b—F4bi | 141 (6) |
B1b—F2a—F1bi | 92 (9) | F4a—F4b—B1b | 60.3 (16) |
B1bi—F2a—F1b | 80 (7) | F4a—F4b—B1bi | 69.3 (17) |
B1bi—F2a—F1bi | 82 (9) | F4a—F4b—F4bi | 126 (3) |
F1b—F2a—F1bi | 9 (10) | B1b—F4b—B1bi | 10.6 (5) |
N1iv—F3a—B1a | 132.6 (13) | B1b—F4b—F4bi | 75.4 (19) |
N1iv—F3a—B1ai | 125.5 (12) | B1bi—F4b—F4bi | 64.8 (18) |
N1iv—F3a—F3ai | 73.0 (10) |
Symmetry codes: (i) x, y, −z+1/2; (ii) x+1/2, −y+1/2, −z+1/2; (iii) x+1/2, −y+1/2, z; (iv) x−1/2, −y+1/2, −z+1/2. |
Hydrogen-bond geometry (Å, º) top
D—H···A | D—H | H···A | D···A | D—H···A |
N1—H1c···F1a | 0.92 | 1.99 | 2.778 (19) | 142.87 |
N1—H1c···F1ai | 0.92 | 1.99 | 2.778 (19) | 142.87 |
N1—H1c···F3aii | 0.92 | 2.29 | 2.707 (19) | 107.19 |
N1—H1c···F3aiii | 0.92 | 2.29 | 2.707 (19) | 107.19 |
N1—H1c···F2bii | 0.92 | 2.48 | 2.84 (2) | 103.48 |
N1—H1c···F2biii | 0.92 | 2.48 | 2.84 (2) | 103.48 |
N1—H1c···F4b | 0.92 | 1.96 | 2.73 (2) | 140.99 |
N1—H1c···F4bi | 0.92 | 1.96 | 2.73 (2) | 140.99 |
N1—H1d···O1v | 0.92 | 1.95 | 2.8515 (15) | 164.58 |
N1—H1d···F3aii | 0.92 | 2.36 | 2.707 (19) | 102.27 |
N1—H1d···F3aiii | 0.92 | 2.36 | 2.707 (19) | 102.27 |
N1—H1d···F2bii | 0.92 | 2.47 | 2.84 (2) | 104.21 |
N1—H1d···F2biii | 0.92 | 2.47 | 2.84 (2) | 104.21 |
N1—H1d···F3bii | 0.92 | 2.77 | 3.03 (2) | 97.71 |
N1—H1d···F3biii | 0.92 | 2.77 | 3.03 (2) | 97.71 |
Symmetry codes: (i) x, y, −z+1/2; (ii) x+1/2, −y+1/2, −z+1/2; (iii) x+1/2, −y+1/2, z; (v) x+1/2, −y+3/2, −z+1/2. |