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Tris(pyrazolyl)borates are used extensively in metal coordination chemistry and belong to a class of ligands generally referred to as scorpionates. The steric and electronic properties of these ligands can be modified quite easily by varying the substituents on the 3-, 4-, and 5-positions of the pyrazolyl moieties on the B atom. Fluorinated tris(pyrazolyl)borates are useful in the stabilization of rare silver(I) complexes. The silver(I) adduct (acetonitrile-
N){tris[5-methyl-3-(trifluoromethyl)pyrazol-1-yl-
N2]hydroborato}silver(I), [Ag(C
15H
13BF
9N
6)(CH
3CN)] or [HB{3-(CF
3),5-(CH
3)Pz}
3]AgNCCH
3, was obtained by treating [HB{3-(CF
3),5-(CH
3)Pz}
3]Na with CF
3SO
3Ag in the presence of acetonitrile, and was isolated in 85% yield. Single-crystal X-ray diffraction analysis reveals that the Ag
I center has a pseudo-tetrahedral all-nitrogen coordination sphere, and is supported by a tris(pyrazolyl)borate ligand that binds to the Ag
I center in a
3-fashion.
Supporting information
CCDC reference: 1475419
Data collection: APEX2 (Bruker, 2014); cell refinement: SAINT (Bruker, 2015); data reduction: SAINT (Bruker, 2015); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL2014 (Sheldrick, 2015); molecular graphics: OLEX2 (Dolomanov et al., 2009); software used to prepare material for publication: OLEX2 (Dolomanov et al., 2009).
(Acetonitrile-
κN){tris[5-methyl-3-(trifluoromethyl)pyrazol-1-yl-
κN2]hydroborato}silver(I)
top
Crystal data top
[Ag(C15H13BF9N6)(C2H3N)] | Z = 2 |
Mr = 608.05 | F(000) = 600 |
Triclinic, P1 | Dx = 1.811 Mg m−3 |
a = 8.9547 (7) Å | Mo Kα radiation, λ = 0.71073 Å |
b = 11.3267 (8) Å | Cell parameters from 9042 reflections |
c = 11.8011 (9) Å | θ = 4.0–37.9° |
α = 102.919 (1)° | µ = 1.00 mm−1 |
β = 103.564 (1)° | T = 100 K |
γ = 96.901 (1)° | Cube, colourless |
V = 1115.14 (15) Å3 | 0.22 × 0.21 × 0.16 mm |
Data collection top
Bruker D8 Quest with a Photon 100 CMOS diffractometer | 4696 reflections with I > 2σ(I) |
φ and ω scans | Rint = 0.010 |
Absorption correction: multi-scan (SADABS; Bruker, 2015) | θmax = 27.0°, θmin = 3.8° |
Tmin = 0.689, Tmax = 0.748 | h = −11→11 |
11629 measured reflections | k = −14→14 |
4790 independent reflections | l = −15→15 |
Refinement top
Refinement on F2 | 0 restraints |
Least-squares matrix: full | Hydrogen site location: mixed |
R[F2 > 2σ(F2)] = 0.021 | H atoms treated by a mixture of independent and constrained refinement |
wR(F2) = 0.055 | w = 1/[σ2(Fo2) + (0.0177P)2 + 1.6248P] where P = (Fo2 + 2Fc2)/3 |
S = 1.06 | (Δ/σ)max = 0.001 |
4790 reflections | Δρmax = 0.57 e Å−3 |
324 parameters | Δρmin = −0.49 e Å−3 |
Special details top
Geometry. All esds (except the esd in the dihedral angle between two l.s. planes)
are estimated using the full covariance matrix. The cell esds are taken
into account individually in the estimation of esds in distances, angles
and torsion angles; correlations between esds in cell parameters are only
used when they are defined by crystal symmetry. An approximate (isotropic)
treatment of cell esds is used for estimating esds involving l.s. planes. |
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top | x | y | z | Uiso*/Ueq | |
Ag | 0.79253 (2) | 0.73463 (2) | 0.35462 (2) | 0.01743 (5) | |
F1 | 0.84943 (15) | 0.32176 (13) | 0.11826 (12) | 0.0332 (3) | |
F2 | 0.88850 (14) | 0.39485 (12) | 0.30885 (11) | 0.0281 (3) | |
F3 | 0.94071 (13) | 0.51447 (12) | 0.20110 (13) | 0.0304 (3) | |
F4 | 0.84728 (17) | 0.97886 (16) | 0.25707 (14) | 0.0474 (4) | |
F5 | 0.75572 (18) | 0.92612 (13) | 0.06444 (13) | 0.0393 (3) | |
F6 | 0.7019 (2) | 1.08659 (12) | 0.16787 (16) | 0.0494 (4) | |
F7 | 0.89067 (14) | 0.77285 (12) | 0.67192 (13) | 0.0360 (3) | |
F8 | 0.79463 (15) | 0.93628 (10) | 0.67402 (12) | 0.0307 (3) | |
F9 | 0.74840 (16) | 0.82567 (14) | 0.79101 (11) | 0.0367 (3) | |
N1 | 0.48770 (16) | 0.53594 (12) | 0.21063 (12) | 0.0104 (3) | |
N2 | 0.64496 (16) | 0.54225 (13) | 0.24945 (13) | 0.0118 (3) | |
N3 | 0.44240 (17) | 0.75452 (13) | 0.22281 (12) | 0.0125 (3) | |
N4 | 0.59141 (17) | 0.80266 (13) | 0.22742 (13) | 0.0146 (3) | |
N5 | 0.46608 (16) | 0.66972 (12) | 0.40832 (12) | 0.0107 (3) | |
N6 | 0.60581 (16) | 0.74482 (13) | 0.47027 (13) | 0.0122 (3) | |
N7 | 1.03406 (18) | 0.81917 (15) | 0.43558 (14) | 0.0199 (3) | |
C1 | 0.67485 (19) | 0.44259 (15) | 0.17984 (15) | 0.0123 (3) | |
C2 | 0.5399 (2) | 0.37110 (16) | 0.09580 (15) | 0.0142 (3) | |
H2 | 0.5310 | 0.2963 | 0.0368 | 0.017* | |
C3 | 0.4216 (2) | 0.43391 (15) | 0.11785 (14) | 0.0127 (3) | |
C4 | 0.8375 (2) | 0.41858 (17) | 0.20202 (16) | 0.0161 (3) | |
C5 | 0.2508 (2) | 0.40134 (17) | 0.05559 (17) | 0.0194 (4) | |
H5A | 0.1936 | 0.3767 | 0.1104 | 0.029* | |
H5B | 0.2319 | 0.3330 | −0.0166 | 0.029* | |
H5C | 0.2148 | 0.4730 | 0.0321 | 0.029* | |
C6 | 0.5790 (2) | 0.89832 (16) | 0.17965 (15) | 0.0174 (3) | |
C7 | 0.4245 (2) | 0.91337 (17) | 0.14344 (16) | 0.0195 (4) | |
H7 | 0.3862 | 0.9747 | 0.1073 | 0.023* | |
C8 | 0.3391 (2) | 0.81930 (16) | 0.17175 (15) | 0.0158 (3) | |
C9 | 0.7215 (3) | 0.97188 (18) | 0.16823 (18) | 0.0246 (4) | |
C10 | 0.1667 (2) | 0.78850 (19) | 0.15200 (17) | 0.0215 (4) | |
H10A | 0.1279 | 0.7037 | 0.1022 | 0.032* | |
H10B | 0.1158 | 0.8451 | 0.1108 | 0.032* | |
H10C | 0.1430 | 0.7965 | 0.2301 | 0.032* | |
C11 | 0.61991 (19) | 0.74711 (15) | 0.58592 (15) | 0.0123 (3) | |
C12 | 0.4927 (2) | 0.67492 (15) | 0.60112 (15) | 0.0138 (3) | |
H12 | 0.4760 | 0.6621 | 0.6744 | 0.017* | |
C13 | 0.39584 (19) | 0.62585 (15) | 0.48507 (15) | 0.0121 (3) | |
C14 | 0.7632 (2) | 0.81977 (16) | 0.67992 (16) | 0.0157 (3) | |
C15 | 0.2415 (2) | 0.54119 (16) | 0.44456 (16) | 0.0166 (3) | |
H15A | 0.1579 | 0.5881 | 0.4261 | 0.025* | |
H15B | 0.2278 | 0.5027 | 0.5089 | 0.025* | |
H15C | 0.2375 | 0.4772 | 0.3721 | 0.025* | |
C16 | 1.1605 (2) | 0.86796 (16) | 0.47450 (16) | 0.0158 (3) | |
C17 | 1.3233 (2) | 0.92851 (17) | 0.52025 (18) | 0.0196 (4) | |
H17A | 1.3766 | 0.9085 | 0.4567 | 0.029* | |
H17B | 1.3737 | 0.9000 | 0.5898 | 0.029* | |
H17C | 1.3292 | 1.0179 | 0.5451 | 0.029* | |
B1 | 0.4069 (2) | 0.63860 (17) | 0.26830 (16) | 0.0115 (3) | |
H1 | 0.284 (3) | 0.609 (2) | 0.2417 (19) | 0.013 (5)* | |
Atomic displacement parameters (Å2) top | U11 | U22 | U33 | U12 | U13 | U23 |
Ag | 0.01223 (7) | 0.01820 (8) | 0.01916 (8) | −0.00170 (5) | 0.00309 (5) | 0.00302 (5) |
F1 | 0.0245 (6) | 0.0380 (7) | 0.0300 (7) | 0.0139 (5) | 0.0082 (5) | −0.0107 (5) |
F2 | 0.0249 (6) | 0.0449 (7) | 0.0233 (6) | 0.0201 (5) | 0.0082 (5) | 0.0174 (5) |
F3 | 0.0127 (5) | 0.0336 (7) | 0.0474 (8) | 0.0009 (5) | 0.0068 (5) | 0.0188 (6) |
F4 | 0.0320 (7) | 0.0631 (10) | 0.0404 (8) | −0.0210 (7) | −0.0052 (6) | 0.0316 (7) |
F5 | 0.0460 (8) | 0.0406 (8) | 0.0347 (7) | −0.0025 (6) | 0.0231 (6) | 0.0095 (6) |
F6 | 0.0675 (11) | 0.0182 (6) | 0.0721 (11) | 0.0013 (7) | 0.0317 (9) | 0.0206 (7) |
F7 | 0.0159 (6) | 0.0302 (7) | 0.0459 (8) | 0.0092 (5) | −0.0059 (5) | −0.0101 (6) |
F8 | 0.0346 (7) | 0.0136 (5) | 0.0320 (6) | −0.0044 (5) | −0.0089 (5) | 0.0054 (5) |
F9 | 0.0381 (7) | 0.0503 (8) | 0.0120 (5) | −0.0100 (6) | −0.0004 (5) | 0.0056 (5) |
N1 | 0.0097 (6) | 0.0104 (6) | 0.0101 (6) | 0.0006 (5) | 0.0014 (5) | 0.0026 (5) |
N2 | 0.0100 (6) | 0.0122 (6) | 0.0127 (6) | 0.0012 (5) | 0.0026 (5) | 0.0032 (5) |
N3 | 0.0143 (7) | 0.0125 (6) | 0.0107 (6) | 0.0035 (5) | 0.0025 (5) | 0.0032 (5) |
N4 | 0.0167 (7) | 0.0125 (7) | 0.0133 (7) | −0.0003 (5) | 0.0022 (5) | 0.0045 (5) |
N5 | 0.0102 (6) | 0.0099 (6) | 0.0117 (6) | 0.0015 (5) | 0.0029 (5) | 0.0023 (5) |
N6 | 0.0105 (6) | 0.0118 (6) | 0.0128 (7) | 0.0014 (5) | 0.0020 (5) | 0.0022 (5) |
N7 | 0.0164 (8) | 0.0203 (8) | 0.0204 (8) | −0.0013 (6) | 0.0050 (6) | 0.0023 (6) |
C1 | 0.0136 (8) | 0.0135 (7) | 0.0110 (7) | 0.0022 (6) | 0.0053 (6) | 0.0038 (6) |
C2 | 0.0172 (8) | 0.0133 (8) | 0.0107 (7) | 0.0019 (6) | 0.0040 (6) | 0.0009 (6) |
C3 | 0.0149 (8) | 0.0123 (7) | 0.0096 (7) | 0.0003 (6) | 0.0017 (6) | 0.0031 (6) |
C4 | 0.0159 (8) | 0.0179 (8) | 0.0151 (8) | 0.0046 (7) | 0.0056 (6) | 0.0028 (7) |
C5 | 0.0145 (8) | 0.0188 (8) | 0.0185 (8) | 0.0001 (7) | −0.0019 (7) | −0.0002 (7) |
C6 | 0.0272 (9) | 0.0121 (8) | 0.0117 (8) | 0.0017 (7) | 0.0039 (7) | 0.0033 (6) |
C7 | 0.0318 (10) | 0.0144 (8) | 0.0133 (8) | 0.0094 (7) | 0.0044 (7) | 0.0052 (6) |
C8 | 0.0227 (9) | 0.0165 (8) | 0.0085 (7) | 0.0096 (7) | 0.0032 (6) | 0.0016 (6) |
C9 | 0.0351 (11) | 0.0182 (9) | 0.0209 (9) | −0.0013 (8) | 0.0069 (8) | 0.0095 (7) |
C10 | 0.0208 (9) | 0.0290 (10) | 0.0164 (8) | 0.0135 (8) | 0.0037 (7) | 0.0060 (7) |
C11 | 0.0135 (8) | 0.0108 (7) | 0.0125 (7) | 0.0043 (6) | 0.0023 (6) | 0.0029 (6) |
C12 | 0.0174 (8) | 0.0126 (7) | 0.0131 (8) | 0.0041 (6) | 0.0050 (6) | 0.0048 (6) |
C13 | 0.0135 (8) | 0.0103 (7) | 0.0146 (8) | 0.0040 (6) | 0.0054 (6) | 0.0046 (6) |
C14 | 0.0177 (8) | 0.0135 (8) | 0.0141 (8) | 0.0032 (6) | 0.0013 (6) | 0.0028 (6) |
C15 | 0.0153 (8) | 0.0151 (8) | 0.0197 (8) | 0.0000 (6) | 0.0059 (7) | 0.0052 (7) |
C16 | 0.0191 (9) | 0.0130 (8) | 0.0162 (8) | 0.0042 (7) | 0.0065 (7) | 0.0029 (6) |
C17 | 0.0139 (8) | 0.0144 (8) | 0.0261 (9) | 0.0012 (6) | 0.0018 (7) | 0.0009 (7) |
B1 | 0.0113 (8) | 0.0118 (8) | 0.0109 (8) | 0.0024 (6) | 0.0021 (6) | 0.0025 (7) |
Geometric parameters (Å, º) top
Ag—N2 | 2.3161 (14) | C2—H2 | 0.9500 |
Ag—N4 | 2.3818 (15) | C2—C3 | 1.387 (2) |
Ag—N6 | 2.3913 (14) | C3—C5 | 1.494 (2) |
Ag—N7 | 2.1521 (16) | C5—H5A | 0.9800 |
F1—C4 | 1.336 (2) | C5—H5B | 0.9800 |
F2—C4 | 1.335 (2) | C5—H5C | 0.9800 |
F3—C4 | 1.343 (2) | C6—C7 | 1.392 (3) |
F4—C9 | 1.327 (3) | C6—C9 | 1.488 (3) |
F5—C9 | 1.339 (2) | C7—H7 | 0.9500 |
F6—C9 | 1.333 (2) | C7—C8 | 1.384 (3) |
F7—C14 | 1.329 (2) | C8—C10 | 1.492 (3) |
F8—C14 | 1.337 (2) | C10—H10A | 0.9800 |
F9—C14 | 1.336 (2) | C10—H10B | 0.9800 |
N1—N2 | 1.3626 (19) | C10—H10C | 0.9800 |
N1—C3 | 1.360 (2) | C11—C12 | 1.391 (2) |
N1—B1 | 1.555 (2) | C11—C14 | 1.492 (2) |
N2—C1 | 1.335 (2) | C12—H12 | 0.9500 |
N3—N4 | 1.363 (2) | C12—C13 | 1.387 (2) |
N3—C8 | 1.362 (2) | C13—C15 | 1.491 (2) |
N3—B1 | 1.552 (2) | C15—H15A | 0.9800 |
N4—C6 | 1.333 (2) | C15—H15B | 0.9800 |
N5—N6 | 1.3641 (19) | C15—H15C | 0.9800 |
N5—C13 | 1.363 (2) | C16—C17 | 1.453 (2) |
N5—B1 | 1.555 (2) | C17—H17A | 0.9800 |
N6—C11 | 1.335 (2) | C17—H17B | 0.9800 |
N7—C16 | 1.136 (2) | C17—H17C | 0.9800 |
C1—C2 | 1.394 (2) | B1—H1 | 1.06 (2) |
C1—C4 | 1.487 (2) | | |
| | | |
N2—Ag—N4 | 82.63 (5) | C8—C7—H7 | 127.6 |
N2—Ag—N6 | 85.05 (5) | N3—C8—C7 | 107.30 (16) |
N4—Ag—N6 | 79.66 (5) | N3—C8—C10 | 123.86 (16) |
N7—Ag—N2 | 138.88 (6) | C7—C8—C10 | 128.85 (17) |
N7—Ag—N4 | 129.54 (6) | F4—C9—F5 | 107.06 (19) |
N7—Ag—N6 | 121.30 (5) | F4—C9—F6 | 107.57 (18) |
N2—N1—B1 | 121.00 (13) | F4—C9—C6 | 112.80 (16) |
C3—N1—N2 | 110.71 (13) | F5—C9—C6 | 112.46 (16) |
C3—N1—B1 | 128.26 (14) | F6—C9—F5 | 105.47 (16) |
N1—N2—Ag | 116.54 (10) | F6—C9—C6 | 111.05 (18) |
C1—N2—Ag | 133.46 (11) | C8—C10—H10A | 109.5 |
C1—N2—N1 | 105.30 (13) | C8—C10—H10B | 109.5 |
N4—N3—B1 | 121.09 (13) | C8—C10—H10C | 109.5 |
C8—N3—N4 | 110.78 (14) | H10A—C10—H10B | 109.5 |
C8—N3—B1 | 128.10 (15) | H10A—C10—H10C | 109.5 |
N3—N4—Ag | 115.62 (10) | H10B—C10—H10C | 109.5 |
C6—N4—Ag | 136.66 (12) | N6—C11—C12 | 112.26 (15) |
C6—N4—N3 | 105.29 (14) | N6—C11—C14 | 119.47 (15) |
N6—N5—B1 | 121.73 (13) | C12—C11—C14 | 128.25 (16) |
C13—N5—N6 | 110.72 (13) | C11—C12—H12 | 127.8 |
C13—N5—B1 | 127.50 (14) | C13—C12—C11 | 104.36 (15) |
N5—N6—Ag | 112.24 (10) | C13—C12—H12 | 127.8 |
C11—N6—Ag | 131.37 (11) | N5—C13—C12 | 107.54 (14) |
C11—N6—N5 | 105.13 (13) | N5—C13—C15 | 123.51 (15) |
C16—N7—Ag | 176.36 (16) | C12—C13—C15 | 128.95 (15) |
N2—C1—C2 | 112.04 (15) | F7—C14—F8 | 106.10 (15) |
N2—C1—C4 | 119.19 (15) | F7—C14—F9 | 107.20 (15) |
C2—C1—C4 | 128.72 (15) | F7—C14—C11 | 112.92 (14) |
C1—C2—H2 | 127.8 | F8—C14—C11 | 112.77 (14) |
C3—C2—C1 | 104.31 (14) | F9—C14—F8 | 106.12 (15) |
C3—C2—H2 | 127.8 | F9—C14—C11 | 111.29 (15) |
N1—C3—C2 | 107.63 (14) | C13—C15—H15A | 109.5 |
N1—C3—C5 | 123.52 (15) | C13—C15—H15B | 109.5 |
C2—C3—C5 | 128.86 (15) | C13—C15—H15C | 109.5 |
F1—C4—F3 | 106.90 (15) | H15A—C15—H15B | 109.5 |
F1—C4—C1 | 111.43 (15) | H15A—C15—H15C | 109.5 |
F2—C4—F1 | 106.78 (15) | H15B—C15—H15C | 109.5 |
F2—C4—F3 | 105.93 (15) | N7—C16—C17 | 178.0 (2) |
F2—C4—C1 | 112.65 (14) | C16—C17—H17A | 109.5 |
F3—C4—C1 | 112.71 (15) | C16—C17—H17B | 109.5 |
C3—C5—H5A | 109.5 | C16—C17—H17C | 109.5 |
C3—C5—H5B | 109.5 | H17A—C17—H17B | 109.5 |
C3—C5—H5C | 109.5 | H17A—C17—H17C | 109.5 |
H5A—C5—H5B | 109.5 | H17B—C17—H17C | 109.5 |
H5A—C5—H5C | 109.5 | N1—B1—N5 | 109.83 (13) |
H5B—C5—H5C | 109.5 | N1—B1—H1 | 110.3 (12) |
N4—C6—C7 | 111.91 (16) | N3—B1—N1 | 109.35 (13) |
N4—C6—C9 | 119.77 (17) | N3—B1—N5 | 110.68 (13) |
C7—C6—C9 | 128.31 (17) | N3—B1—H1 | 107.6 (12) |
C6—C7—H7 | 127.6 | N5—B1—H1 | 109.1 (11) |
C8—C7—C6 | 104.73 (16) | | |
| | | |
Ag—N2—C1—C2 | −153.68 (12) | C2—C1—C4—F2 | −111.9 (2) |
Ag—N2—C1—C4 | 28.6 (2) | C2—C1—C4—F3 | 128.32 (19) |
Ag—N4—C6—C7 | −160.73 (13) | C3—N1—N2—Ag | 158.75 (10) |
Ag—N4—C6—C9 | 20.6 (3) | C3—N1—N2—C1 | −0.27 (17) |
Ag—N6—C11—C12 | −139.35 (13) | C3—N1—B1—N3 | −103.21 (18) |
Ag—N6—C11—C14 | 39.2 (2) | C3—N1—B1—N5 | 135.16 (16) |
N1—N2—C1—C2 | 0.13 (18) | C4—C1—C2—C3 | 177.53 (16) |
N1—N2—C1—C4 | −177.62 (14) | C6—C7—C8—N3 | 0.43 (19) |
N2—N1—C3—C2 | 0.31 (18) | C6—C7—C8—C10 | −179.16 (17) |
N2—N1—C3—C5 | −179.86 (15) | C7—C6—C9—F4 | 148.4 (2) |
N2—N1—B1—N3 | 74.80 (18) | C7—C6—C9—F5 | −90.4 (2) |
N2—N1—B1—N5 | −46.84 (19) | C7—C6—C9—F6 | 27.5 (3) |
N2—C1—C2—C3 | 0.05 (19) | C8—N3—N4—Ag | 165.79 (10) |
N2—C1—C4—F1 | −174.55 (15) | C8—N3—N4—C6 | 0.51 (18) |
N2—C1—C4—F2 | 65.5 (2) | C8—N3—B1—N1 | 127.72 (16) |
N2—C1—C4—F3 | −54.4 (2) | C8—N3—B1—N5 | −111.15 (18) |
N3—N4—C6—C7 | −0.22 (19) | C9—C6—C7—C8 | 178.36 (18) |
N3—N4—C6—C9 | −178.85 (15) | C11—C12—C13—N5 | −0.35 (18) |
N4—N3—C8—C7 | −0.60 (19) | C11—C12—C13—C15 | −179.90 (16) |
N4—N3—C8—C10 | 179.02 (15) | C12—C11—C14—F7 | 110.4 (2) |
N4—N3—B1—N1 | −50.19 (19) | C12—C11—C14—F8 | −129.37 (19) |
N4—N3—B1—N5 | 70.94 (18) | C12—C11—C14—F9 | −10.2 (3) |
N4—C6—C7—C8 | −0.1 (2) | C13—N5—N6—Ag | 147.85 (11) |
N4—C6—C9—F4 | −33.2 (3) | C13—N5—N6—C11 | −0.39 (17) |
N4—C6—C9—F5 | 88.0 (2) | C13—N5—B1—N1 | −97.08 (18) |
N4—C6—C9—F6 | −154.09 (17) | C13—N5—B1—N3 | 142.08 (16) |
N5—N6—C11—C12 | 0.16 (18) | C14—C11—C12—C13 | −178.32 (16) |
N5—N6—C11—C14 | 178.75 (14) | B1—N1—N2—Ag | −19.58 (18) |
N6—N5—C13—C12 | 0.47 (18) | B1—N1—N2—C1 | −178.60 (14) |
N6—N5—C13—C15 | −179.95 (15) | B1—N1—C3—C2 | 178.49 (15) |
N6—N5—B1—N1 | 80.07 (18) | B1—N1—C3—C5 | −1.7 (3) |
N6—N5—B1—N3 | −40.8 (2) | B1—N3—N4—Ag | −15.96 (18) |
N6—C11—C12—C13 | 0.11 (19) | B1—N3—N4—C6 | 178.75 (14) |
N6—C11—C14—F7 | −68.0 (2) | B1—N3—C8—C7 | −178.68 (15) |
N6—C11—C14—F8 | 52.3 (2) | B1—N3—C8—C10 | 0.9 (3) |
N6—C11—C14—F9 | 171.42 (15) | B1—N5—N6—Ag | −29.73 (17) |
C1—C2—C3—N1 | −0.22 (18) | B1—N5—N6—C11 | −177.97 (14) |
C1—C2—C3—C5 | 179.97 (17) | B1—N5—C13—C12 | 177.88 (15) |
C2—C1—C4—F1 | 8.1 (3) | B1—N5—C13—C15 | −2.5 (3) |
Selected bond lengths (Å) and angles (°) for
[HB{3-(CF3),5-(CH3)Pz}3]AgNCCH3 and related adducts top | [HB{3-(CF3),5-(CH3)Pz}3]AgNCCH3 | [HB{3,5-(CF3)2Pz}3]AgNCtBu | [HB{3-(CF3),5-(CH3)Pz}3]CuNCCH3 | [HB{3,5-(CF3)2Pz}3]CuNCCH3 |
M—N(≡C) | 2.1521 (16) | 2.120 (4) | 1.875 (5) | 1.888 (3) |
M—N(Pz) | 2.3161 (14) | 2.382 (3) | 2.075 (4) | 2.0992 (12) |
| 2.3818 (15) | 2.385 (3) | 2.057 (4) | 2.0992 (12) |
| 2.3913 (14) | 2.351 (3) | 2.200 (4) | 2.0992 (12) |
N≡C | 1.136 (2) | 1.139 (6) | 1.133 (7) | 1.140 (5) |
M—N≡C | 176.36 (16) | 169.6 (4) | 167.2 (5) | 180 |
N≡C—C | 178.0 (2) | 178.3 (6) | 176.5 (7) | 180 |
(N)N—M—N(N) | 82.63 (5) | 82.41 (11) | 90.0 (2) | 89.79 (5) |
| 85.05 (5) | 82.43 (11) | 92.8 (2) | 89.79 (5) |
| 79.66 (5) | 77.77 (11) | 88.8 (2) | 89.79 (5) |
Reference | This work | Dias et al. (1997) | Schneider et al. (1998) | Balili & Pintauer (2007) |
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