Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536807007088/er2021sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S1600536807007088/er2021Isup2.hkl |
CCDC reference: 642976
Data collection: SMART (Bruker, 1997); cell refinement: SAINT (Bruker, 1997); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: SHELXTL (Sheldrick, 2000); software used to prepare material for publication: SHELXTL.
[Ag2Cl2(C26H30B10P2)2]·2CH2Cl2 | Z = 1 |
Mr = 1481.57 | F(000) = 744 |
Triclinic, P1 | Dx = 1.474 Mg m−3 |
Hall symbol: -P 1 | Mo Kα radiation, λ = 0.71073 Å |
a = 10.0887 (14) Å | Cell parameters from 4742 reflections |
b = 11.9737 (16) Å | θ = 2.4–28.3° |
c = 13.9695 (19) Å | µ = 0.96 mm−1 |
α = 86.838 (2)° | T = 298 K |
β = 82.515 (2)° | Block, yellow |
γ = 86.999 (2)° | 0.44 × 0.41 × 0.39 mm |
V = 1668.8 (4) Å3 |
Bruker SMART CCD area-detector diffractometer | 5805 independent reflections |
Radiation source: fine-focus sealed tube | 4806 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.017 |
Detector resolution: 10 pixels mm-1 | θmax = 25.0°, θmin = 2.0° |
φ and ω scans | h = −11→11 |
Absorption correction: multi-scan (SADABS; Sheldrick, 2002) | k = −12→14 |
Tmin = 0.677, Tmax = 0.706 | l = −16→16 |
8811 measured reflections |
Refinement on F2 | Primary atom site location: structure-invariant direct methods |
Least-squares matrix: full | Secondary atom site location: difference Fourier map |
R[F2 > 2σ(F2)] = 0.039 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.105 | H-atom parameters constrained |
S = 1.03 | w = 1/[σ2(Fo2) + (0.0499P)2 + 2.3776P] where P = (Fo2 + 2Fc2)/3 |
5805 reflections | (Δ/σ)max = 0.001 |
388 parameters | Δρmax = 0.94 e Å−3 |
6 restraints | Δρmin = −0.99 e Å−3 |
Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes. |
Refinement. Refinement of F2 against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F2, conventional R-factors R are based on F, with F set to zero for negative F2. The threshold expression of F2 > σ(F2) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F2 are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger. |
x | y | z | Uiso*/Ueq | ||
Ag1 | 0.91439 (4) | 0.91837 (4) | 0.59863 (3) | 0.03758 (17) | |
B3 | 0.7554 (7) | 0.7564 (5) | 0.8682 (4) | 0.0374 (15) | |
H3 | 0.7848 | 0.8311 | 0.9012 | 0.045* | |
B4 | 0.5840 (7) | 0.7293 (6) | 0.8606 (5) | 0.0433 (16) | |
H4 | 0.5008 | 0.7852 | 0.8907 | 0.052* | |
B5 | 0.5806 (7) | 0.6641 (5) | 0.7511 (5) | 0.0418 (16) | |
H5 | 0.4952 | 0.6776 | 0.7095 | 0.050* | |
B6 | 0.7486 (6) | 0.6510 (5) | 0.6936 (5) | 0.0335 (14) | |
H6 | 0.7736 | 0.6584 | 0.6145 | 0.040* | |
B7 | 0.8386 (7) | 0.5570 (5) | 0.7676 (5) | 0.0383 (15) | |
H7 | 0.9212 | 0.5010 | 0.7368 | 0.046* | |
B8 | 0.8434 (7) | 0.6222 (6) | 0.8789 (5) | 0.0408 (15) | |
H8 | 0.9282 | 0.6085 | 0.9209 | 0.049* | |
B9 | 0.6765 (8) | 0.6403 (6) | 0.9356 (5) | 0.0485 (18) | |
H9 | 0.6540 | 0.6389 | 1.0149 | 0.058* | |
B10 | 0.5698 (8) | 0.5826 (6) | 0.8611 (6) | 0.0500 (18) | |
H10 | 0.4773 | 0.5422 | 0.8921 | 0.060* | |
B11 | 0.6703 (7) | 0.5333 (6) | 0.7566 (6) | 0.0454 (17) | |
H11 | 0.6436 | 0.4615 | 0.7183 | 0.055* | |
B12 | 0.7266 (8) | 0.5170 (6) | 0.8711 (5) | 0.0474 (18) | |
H12 | 0.7355 | 0.4341 | 0.9083 | 0.057* | |
Cl1 | 0.97670 (15) | 0.88718 (12) | 0.41948 (10) | 0.0414 (3) | |
Cl2 | 0.9484 (5) | 0.6894 (4) | 0.1409 (3) | 0.195 (2) | |
Cl3 | 0.7171 (4) | 0.7547 (4) | 0.2619 (3) | 0.182 (2) | |
P1 | 0.68612 (13) | 0.90023 (11) | 0.68644 (10) | 0.0295 (3) | |
P2 | 1.00225 (13) | 0.77267 (11) | 0.71288 (10) | 0.0303 (3) | |
C1 | 0.6946 (5) | 0.7619 (4) | 0.7613 (4) | 0.0313 (12) | |
C2 | 0.8473 (5) | 0.6985 (4) | 0.7711 (4) | 0.0319 (12) | |
C3 | 0.6376 (5) | 1.0126 (4) | 0.7689 (4) | 0.0332 (12) | |
C4 | 0.7175 (6) | 1.1041 (5) | 0.7525 (4) | 0.0382 (13) | |
H13 | 0.7938 | 1.1006 | 0.7074 | 0.046* | |
C5 | 0.6853 (7) | 1.2005 (5) | 0.8022 (5) | 0.0489 (16) | |
H14 | 0.7392 | 1.2615 | 0.7894 | 0.059* | |
C6 | 0.5748 (7) | 1.2069 (5) | 0.8702 (5) | 0.0505 (16) | |
H15 | 0.5531 | 1.2721 | 0.9032 | 0.061* | |
C7 | 0.4967 (7) | 1.1161 (6) | 0.8892 (5) | 0.0537 (17) | |
H16 | 0.4230 | 1.1193 | 0.9366 | 0.064* | |
C8 | 0.5258 (6) | 1.0197 (5) | 0.8388 (5) | 0.0476 (15) | |
H17 | 0.4706 | 0.9594 | 0.8516 | 0.057* | |
C9 | 0.5468 (5) | 0.8834 (4) | 0.6179 (4) | 0.0349 (12) | |
C10 | 0.5765 (7) | 0.8321 (6) | 0.5313 (5) | 0.0505 (16) | |
H18 | 0.6646 | 0.8104 | 0.5094 | 0.061* | |
C11 | 0.4755 (8) | 0.8128 (7) | 0.4766 (5) | 0.065 (2) | |
H19 | 0.4955 | 0.7754 | 0.4195 | 0.078* | |
C12 | 0.3463 (7) | 0.8486 (7) | 0.5065 (6) | 0.063 (2) | |
H20 | 0.2783 | 0.8354 | 0.4701 | 0.076* | |
C13 | 0.3182 (7) | 0.9041 (6) | 0.5902 (6) | 0.062 (2) | |
H21 | 0.2311 | 0.9308 | 0.6092 | 0.074* | |
C14 | 0.4161 (6) | 0.9210 (6) | 0.6466 (5) | 0.0499 (16) | |
H22 | 0.3949 | 0.9575 | 0.7040 | 0.060* | |
C15 | 1.0783 (5) | 0.8211 (5) | 0.8134 (4) | 0.0340 (12) | |
C16 | 1.0784 (6) | 0.9361 (5) | 0.8194 (4) | 0.0414 (14) | |
H23 | 1.0418 | 0.9827 | 0.7732 | 0.050* | |
C17 | 1.1329 (7) | 0.9828 (6) | 0.8937 (5) | 0.0559 (17) | |
H24 | 1.1311 | 1.0601 | 0.8980 | 0.067* | |
C18 | 1.1892 (7) | 0.9138 (7) | 0.9609 (5) | 0.0588 (18) | |
H25 | 1.2261 | 0.9446 | 1.0105 | 0.071* | |
C19 | 1.1912 (7) | 0.8009 (6) | 0.9550 (5) | 0.0581 (18) | |
H26 | 1.2306 | 0.7549 | 1.0003 | 0.070* | |
C20 | 1.1360 (6) | 0.7539 (6) | 0.8833 (5) | 0.0481 (15) | |
H27 | 1.1369 | 0.6764 | 0.8811 | 0.058* | |
C21 | 1.1106 (5) | 0.6634 (5) | 0.6530 (4) | 0.0370 (13) | |
C22 | 1.2247 (6) | 0.6152 (6) | 0.6862 (6) | 0.0558 (18) | |
H28 | 1.2464 | 0.6322 | 0.7463 | 0.067* | |
C23 | 1.3066 (8) | 0.5411 (7) | 0.6293 (7) | 0.077 (3) | |
H29 | 1.3832 | 0.5088 | 0.6518 | 0.092* | |
C24 | 1.2771 (8) | 0.5151 (7) | 0.5416 (7) | 0.072 (2) | |
H30 | 1.3326 | 0.4649 | 0.5047 | 0.086* | |
C25 | 1.1657 (8) | 0.5628 (7) | 0.5079 (6) | 0.069 (2) | |
H31 | 1.1450 | 0.5448 | 0.4478 | 0.083* | |
C26 | 1.0832 (7) | 0.6379 (6) | 0.5622 (5) | 0.0511 (16) | |
H32 | 1.0087 | 0.6715 | 0.5377 | 0.061* | |
C27 | 0.8764 (11) | 0.7004 (9) | 0.2541 (7) | 0.099 (3) | |
H33 | 0.9290 | 0.7477 | 0.2873 | 0.119* | |
H34 | 0.8764 | 0.6269 | 0.2868 | 0.119* |
U11 | U22 | U33 | U12 | U13 | U23 | |
Ag1 | 0.0343 (3) | 0.0419 (3) | 0.0344 (3) | −0.00468 (18) | 0.00337 (18) | 0.00255 (18) |
B3 | 0.041 (4) | 0.037 (3) | 0.032 (3) | −0.002 (3) | 0.004 (3) | −0.003 (3) |
B4 | 0.038 (4) | 0.041 (4) | 0.046 (4) | −0.005 (3) | 0.011 (3) | 0.003 (3) |
B5 | 0.032 (4) | 0.035 (3) | 0.059 (4) | −0.008 (3) | −0.003 (3) | 0.000 (3) |
B6 | 0.035 (3) | 0.027 (3) | 0.040 (3) | −0.004 (3) | −0.004 (3) | −0.008 (3) |
B7 | 0.039 (4) | 0.030 (3) | 0.044 (4) | 0.001 (3) | −0.001 (3) | −0.001 (3) |
B8 | 0.045 (4) | 0.035 (3) | 0.040 (4) | 0.003 (3) | −0.001 (3) | 0.003 (3) |
B9 | 0.051 (4) | 0.046 (4) | 0.043 (4) | −0.005 (3) | 0.011 (3) | 0.010 (3) |
B10 | 0.041 (4) | 0.045 (4) | 0.060 (5) | −0.011 (3) | 0.007 (3) | 0.009 (3) |
B11 | 0.046 (4) | 0.033 (4) | 0.058 (4) | −0.011 (3) | −0.004 (3) | −0.002 (3) |
B12 | 0.052 (4) | 0.033 (4) | 0.054 (4) | −0.004 (3) | 0.002 (3) | 0.008 (3) |
Cl1 | 0.0468 (8) | 0.0442 (8) | 0.0324 (7) | −0.0127 (6) | 0.0026 (6) | −0.0037 (6) |
Cl2 | 0.198 (4) | 0.223 (5) | 0.128 (3) | 0.107 (4) | 0.045 (3) | 0.045 (3) |
Cl3 | 0.114 (3) | 0.219 (5) | 0.185 (4) | 0.069 (3) | 0.030 (3) | 0.059 (3) |
P1 | 0.0240 (7) | 0.0296 (7) | 0.0335 (7) | −0.0015 (5) | 0.0019 (5) | −0.0024 (5) |
P2 | 0.0257 (7) | 0.0327 (7) | 0.0322 (7) | −0.0016 (5) | −0.0022 (6) | −0.0016 (6) |
C1 | 0.028 (3) | 0.028 (3) | 0.036 (3) | −0.005 (2) | 0.005 (2) | −0.003 (2) |
C2 | 0.030 (3) | 0.032 (3) | 0.033 (3) | 0.000 (2) | 0.000 (2) | −0.002 (2) |
C3 | 0.032 (3) | 0.032 (3) | 0.034 (3) | 0.003 (2) | −0.001 (2) | −0.002 (2) |
C4 | 0.033 (3) | 0.039 (3) | 0.042 (3) | −0.003 (2) | −0.001 (2) | −0.004 (2) |
C5 | 0.050 (4) | 0.040 (3) | 0.056 (4) | −0.008 (3) | −0.002 (3) | −0.012 (3) |
C6 | 0.056 (4) | 0.043 (4) | 0.054 (4) | 0.006 (3) | −0.005 (3) | −0.018 (3) |
C7 | 0.051 (4) | 0.057 (4) | 0.048 (4) | 0.006 (3) | 0.013 (3) | −0.012 (3) |
C8 | 0.044 (4) | 0.040 (3) | 0.055 (4) | −0.007 (3) | 0.013 (3) | −0.005 (3) |
C9 | 0.029 (3) | 0.035 (3) | 0.041 (3) | −0.005 (2) | −0.004 (2) | 0.003 (2) |
C10 | 0.042 (4) | 0.065 (4) | 0.045 (4) | −0.006 (3) | −0.007 (3) | −0.005 (3) |
C11 | 0.070 (5) | 0.082 (5) | 0.046 (4) | −0.019 (4) | −0.020 (4) | 0.001 (4) |
C12 | 0.046 (4) | 0.083 (5) | 0.065 (5) | −0.025 (4) | −0.027 (4) | 0.026 (4) |
C13 | 0.031 (4) | 0.077 (5) | 0.075 (5) | −0.005 (3) | −0.009 (3) | 0.023 (4) |
C14 | 0.032 (3) | 0.055 (4) | 0.061 (4) | 0.000 (3) | −0.005 (3) | 0.005 (3) |
C15 | 0.027 (3) | 0.040 (3) | 0.035 (3) | −0.004 (2) | −0.004 (2) | −0.002 (2) |
C16 | 0.042 (3) | 0.045 (3) | 0.039 (3) | −0.004 (3) | −0.010 (3) | 0.000 (3) |
C17 | 0.066 (5) | 0.049 (4) | 0.056 (4) | −0.011 (3) | −0.010 (3) | −0.013 (3) |
C18 | 0.065 (5) | 0.075 (5) | 0.042 (4) | −0.017 (4) | −0.016 (3) | −0.007 (3) |
C19 | 0.056 (4) | 0.074 (5) | 0.048 (4) | −0.010 (4) | −0.022 (3) | 0.009 (3) |
C20 | 0.046 (4) | 0.050 (4) | 0.050 (4) | −0.007 (3) | −0.013 (3) | 0.004 (3) |
C21 | 0.029 (3) | 0.036 (3) | 0.046 (3) | −0.003 (2) | 0.000 (2) | −0.006 (2) |
C22 | 0.040 (4) | 0.057 (4) | 0.074 (5) | 0.007 (3) | −0.016 (3) | −0.022 (4) |
C23 | 0.044 (4) | 0.067 (5) | 0.123 (8) | 0.018 (4) | −0.021 (5) | −0.037 (5) |
C24 | 0.051 (5) | 0.067 (5) | 0.097 (6) | 0.004 (4) | 0.006 (4) | −0.044 (5) |
C25 | 0.066 (5) | 0.079 (5) | 0.062 (5) | 0.005 (4) | 0.001 (4) | −0.031 (4) |
C26 | 0.048 (4) | 0.059 (4) | 0.046 (4) | 0.007 (3) | −0.002 (3) | −0.013 (3) |
C27 | 0.109 (8) | 0.104 (8) | 0.090 (7) | 0.017 (6) | −0.036 (6) | −0.025 (6) |
Ag1—P1 | 2.4784 (14) | P2—C21 | 1.827 (6) |
Ag1—P2 | 2.5052 (14) | P2—C2 | 1.904 (5) |
Ag1—Cl1 | 2.5428 (14) | C1—C2 | 1.700 (7) |
Ag1—Cl1i | 2.6120 (15) | C3—C4 | 1.385 (8) |
B3—C1 | 1.684 (8) | C3—C8 | 1.395 (8) |
B3—C2 | 1.700 (8) | C4—C5 | 1.381 (8) |
B3—B4 | 1.794 (10) | C4—H13 | 0.9300 |
B3—B9 | 1.797 (9) | C5—C6 | 1.369 (9) |
B3—B8 | 1.803 (9) | C5—H14 | 0.9300 |
B3—H3 | 1.1000 | C6—C7 | 1.371 (9) |
B4—C1 | 1.704 (8) | C6—H15 | 0.9300 |
B4—B5 | 1.760 (10) | C7—C8 | 1.383 (9) |
B4—B10 | 1.770 (10) | C7—H16 | 0.9300 |
B4—B9 | 1.770 (10) | C8—H17 | 0.9300 |
B4—H4 | 1.1000 | C9—C10 | 1.379 (8) |
B5—C1 | 1.708 (8) | C9—C14 | 1.386 (8) |
B5—B10 | 1.768 (10) | C10—C11 | 1.387 (9) |
B5—B11 | 1.770 (10) | C10—H18 | 0.9300 |
B5—B6 | 1.782 (9) | C11—C12 | 1.370 (11) |
B5—H5 | 1.1000 | C11—H19 | 0.9300 |
B6—C1 | 1.698 (7) | C12—C13 | 1.366 (11) |
B6—C2 | 1.702 (8) | C12—H20 | 0.9300 |
B6—B7 | 1.780 (9) | C13—C14 | 1.371 (10) |
B6—B11 | 1.785 (9) | C13—H21 | 0.9300 |
B6—H6 | 1.1000 | C14—H22 | 0.9300 |
B7—C2 | 1.705 (8) | C15—C16 | 1.385 (8) |
B7—B11 | 1.763 (10) | C15—C20 | 1.397 (8) |
B7—B12 | 1.775 (10) | C16—C17 | 1.392 (9) |
B7—B8 | 1.784 (10) | C16—H23 | 0.9300 |
B7—H7 | 1.1000 | C17—C18 | 1.374 (10) |
B8—C2 | 1.714 (8) | C17—H24 | 0.9300 |
B8—B9 | 1.773 (10) | C18—C19 | 1.358 (10) |
B8—B12 | 1.786 (10) | C18—H25 | 0.9300 |
B8—H8 | 1.1000 | C19—C20 | 1.367 (9) |
B9—B10 | 1.780 (12) | C19—H26 | 0.9300 |
B9—B12 | 1.788 (11) | C20—H27 | 0.9300 |
B9—H9 | 1.1000 | C21—C22 | 1.383 (9) |
B10—B12 | 1.747 (11) | C21—C26 | 1.386 (9) |
B10—B11 | 1.776 (11) | C22—C23 | 1.390 (10) |
B10—H10 | 1.1000 | C22—H28 | 0.9300 |
B11—B12 | 1.763 (11) | C23—C24 | 1.353 (11) |
B11—H11 | 1.1000 | C23—H29 | 0.9300 |
B12—H12 | 1.1000 | C24—C25 | 1.361 (11) |
Cl1—Ag1i | 2.6120 (15) | C24—H30 | 0.9300 |
Cl2—C27 | 1.662 (11) | C25—C26 | 1.382 (9) |
Cl3—C27 | 1.693 (11) | C25—H31 | 0.9300 |
P1—C9 | 1.825 (6) | C26—H32 | 0.9300 |
P1—C3 | 1.826 (5) | C27—H33 | 0.9700 |
P1—C1 | 1.914 (5) | C27—H34 | 0.9700 |
P2—C15 | 1.821 (6) | ||
P1—Ag1—P2 | 89.80 (5) | B10—B11—H11 | 122.3 |
P1—Ag1—Cl1 | 124.20 (5) | B6—B11—H11 | 121.8 |
P2—Ag1—Cl1 | 116.18 (5) | B10—B12—B11 | 60.8 (4) |
P1—Ag1—Cl1i | 119.91 (5) | B10—B12—B7 | 108.6 (5) |
P2—Ag1—Cl1i | 117.84 (5) | B11—B12—B7 | 59.8 (4) |
Cl1—Ag1—Cl1i | 91.60 (5) | B10—B12—B8 | 108.6 (5) |
C1—B3—C2 | 60.3 (3) | B11—B12—B8 | 108.2 (5) |
C1—B3—B4 | 58.6 (3) | B7—B12—B8 | 60.1 (4) |
C2—B3—B4 | 106.5 (5) | B10—B12—B9 | 60.4 (4) |
C1—B3—B9 | 104.7 (5) | B11—B12—B9 | 108.4 (5) |
C2—B3—B9 | 104.6 (5) | B7—B12—B9 | 107.6 (5) |
B4—B3—B9 | 59.1 (4) | B8—B12—B9 | 59.5 (4) |
C1—B3—B8 | 106.6 (4) | B10—B12—H12 | 120.9 |
C2—B3—B8 | 58.5 (3) | B11—B12—H12 | 121.4 |
B4—B3—B8 | 106.9 (5) | B7—B12—H12 | 121.8 |
B9—B3—B8 | 59.0 (4) | B8—B12—H12 | 121.7 |
C1—B3—H3 | 122.9 | B9—B12—H12 | 121.9 |
C2—B3—H3 | 123.0 | Ag1—Cl1—Ag1i | 88.40 (4) |
B4—B3—H3 | 122.5 | C9—P1—C3 | 107.7 (3) |
B9—B3—H3 | 124.0 | C9—P1—C1 | 103.1 (2) |
B8—B3—H3 | 122.5 | C3—P1—C1 | 108.3 (2) |
C1—B4—B5 | 59.1 (3) | C9—P1—Ag1 | 119.19 (18) |
C1—B4—B10 | 105.4 (5) | C3—P1—Ag1 | 112.67 (18) |
B5—B4—B10 | 60.1 (4) | C1—P1—Ag1 | 104.90 (16) |
C1—B4—B9 | 105.1 (5) | C15—P2—C21 | 109.8 (3) |
B5—B4—B9 | 108.4 (5) | C15—P2—C2 | 105.1 (2) |
B10—B4—B9 | 60.4 (4) | C21—P2—C2 | 105.0 (2) |
C1—B4—B3 | 57.5 (3) | C15—P2—Ag1 | 117.49 (18) |
B5—B4—B3 | 107.0 (5) | C21—P2—Ag1 | 113.85 (19) |
B10—B4—B3 | 108.1 (5) | C2—P2—Ag1 | 104.28 (17) |
B9—B4—B3 | 60.6 (4) | B3—C1—B6 | 112.9 (4) |
C1—B4—H4 | 124.7 | B3—C1—C2 | 60.3 (3) |
B5—B4—H4 | 121.6 | B6—C1—C2 | 60.1 (3) |
B10—B4—H4 | 121.9 | B3—C1—B4 | 63.9 (4) |
B9—B4—H4 | 121.7 | B6—C1—B4 | 114.1 (4) |
B3—B4—H4 | 122.1 | C2—C1—B4 | 110.7 (4) |
C1—B5—B4 | 58.8 (3) | B3—C1—B5 | 114.8 (4) |
C1—B5—B10 | 105.2 (5) | B6—C1—B5 | 63.1 (4) |
B4—B5—B10 | 60.2 (4) | C2—C1—B5 | 110.3 (4) |
C1—B5—B11 | 105.3 (5) | B4—C1—B5 | 62.1 (4) |
B4—B5—B11 | 108.5 (5) | B3—C1—P1 | 120.4 (4) |
B10—B5—B11 | 60.2 (4) | B6—C1—P1 | 113.1 (4) |
C1—B5—B6 | 58.2 (3) | C2—C1—P1 | 118.5 (3) |
B4—B5—B6 | 107.4 (5) | B4—C1—P1 | 123.7 (4) |
B10—B5—B6 | 108.0 (5) | B5—C1—P1 | 118.8 (4) |
B11—B5—B6 | 60.3 (4) | B3—C2—C1 | 59.4 (3) |
C1—B5—H5 | 124.6 | B3—C2—B6 | 111.9 (4) |
B4—B5—H5 | 121.5 | C1—C2—B6 | 59.9 (3) |
B10—B5—H5 | 122.1 | B3—C2—B7 | 114.8 (4) |
B11—B5—H5 | 121.8 | C1—C2—B7 | 109.9 (4) |
B6—B5—H5 | 121.9 | B6—C2—B7 | 63.0 (4) |
C1—B6—C2 | 60.0 (3) | B3—C2—B8 | 63.8 (4) |
C1—B6—B7 | 106.5 (4) | C1—C2—B8 | 110.0 (4) |
C2—B6—B7 | 58.6 (3) | B6—C2—B8 | 114.4 (4) |
C1—B6—B5 | 58.7 (3) | B7—C2—B8 | 62.9 (4) |
C2—B6—B5 | 106.7 (4) | B3—C2—P2 | 117.9 (4) |
B7—B6—B5 | 107.4 (5) | C1—C2—P2 | 118.4 (3) |
C1—B6—B11 | 105.1 (4) | B6—C2—P2 | 115.9 (4) |
C2—B6—B11 | 105.0 (5) | B7—C2—P2 | 121.0 (4) |
B7—B6—B11 | 59.3 (4) | B8—C2—P2 | 122.4 (4) |
B5—B6—B11 | 59.5 (4) | C4—C3—C8 | 118.0 (5) |
C1—B6—H6 | 123.0 | C4—C3—P1 | 114.1 (4) |
C2—B6—H6 | 123.0 | C8—C3—P1 | 127.6 (4) |
B7—B6—H6 | 122.3 | C5—C4—C3 | 120.9 (5) |
B5—B6—H6 | 122.1 | C5—C4—H13 | 119.5 |
B11—B6—H6 | 123.6 | C3—C4—H13 | 119.5 |
C2—B7—B11 | 105.8 (4) | C6—C5—C4 | 120.6 (6) |
C2—B7—B12 | 105.3 (5) | C6—C5—H14 | 119.7 |
B11—B7—B12 | 59.8 (4) | C4—C5—H14 | 119.7 |
C2—B7—B6 | 58.4 (3) | C5—C6—C7 | 119.2 (6) |
B11—B7—B6 | 60.5 (4) | C5—C6—H15 | 120.4 |
B12—B7—B6 | 107.6 (5) | C7—C6—H15 | 120.4 |
C2—B7—B8 | 58.8 (3) | C6—C7—C8 | 121.0 (6) |
B11—B7—B8 | 108.3 (5) | C6—C7—H16 | 119.5 |
B12—B7—B8 | 60.3 (4) | C8—C7—H16 | 119.5 |
B6—B7—B8 | 107.3 (4) | C7—C8—C3 | 120.2 (6) |
C2—B7—H7 | 124.2 | C7—C8—H17 | 119.9 |
B11—B7—H7 | 121.8 | C3—C8—H17 | 119.9 |
B12—B7—H7 | 122.4 | C10—C9—C14 | 119.0 (6) |
B6—B7—H7 | 121.9 | C10—C9—P1 | 116.8 (4) |
B8—B7—H7 | 121.6 | C14—C9—P1 | 124.2 (5) |
C2—B8—B9 | 105.0 (5) | C9—C10—C11 | 120.3 (6) |
C2—B8—B7 | 58.3 (3) | C9—C10—H18 | 119.9 |
B9—B8—B7 | 107.8 (5) | C11—C10—H18 | 119.9 |
C2—B8—B12 | 104.5 (5) | C12—C11—C10 | 120.1 (7) |
B9—B8—B12 | 60.3 (4) | C12—C11—H19 | 119.9 |
B7—B8—B12 | 59.6 (4) | C10—C11—H19 | 119.9 |
C2—B8—B3 | 57.7 (3) | C13—C12—C11 | 119.5 (7) |
B9—B8—B3 | 60.3 (4) | C13—C12—H20 | 120.3 |
B7—B8—B3 | 106.2 (5) | C11—C12—H20 | 120.3 |
B12—B8—B3 | 107.5 (5) | C12—C13—C14 | 121.2 (7) |
C2—B8—H8 | 125.0 | C12—C13—H21 | 119.4 |
B9—B8—H8 | 121.8 | C14—C13—H21 | 119.4 |
B7—B8—H8 | 122.3 | C13—C14—C9 | 119.9 (7) |
B12—B8—H8 | 122.4 | C13—C14—H22 | 120.0 |
B3—B8—H8 | 122.4 | C9—C14—H22 | 120.0 |
B4—B9—B8 | 109.2 (5) | C16—C15—C20 | 118.0 (5) |
B4—B9—B10 | 59.8 (4) | C16—C15—P2 | 115.6 (4) |
B8—B9—B10 | 107.7 (5) | C20—C15—P2 | 126.5 (5) |
B4—B9—B12 | 107.0 (5) | C15—C16—C17 | 120.7 (6) |
B8—B9—B12 | 60.2 (4) | C15—C16—H23 | 119.7 |
B10—B9—B12 | 58.6 (4) | C17—C16—H23 | 119.7 |
B4—B9—B3 | 60.4 (4) | C18—C17—C16 | 119.5 (6) |
B8—B9—B3 | 60.7 (4) | C18—C17—H24 | 120.2 |
B10—B9—B3 | 107.6 (5) | C16—C17—H24 | 120.2 |
B12—B9—B3 | 107.6 (5) | C19—C18—C17 | 120.3 (6) |
B4—B9—H9 | 121.5 | C19—C18—H25 | 119.9 |
B8—B9—H9 | 120.9 | C17—C18—H25 | 119.9 |
B10—B9—H9 | 122.5 | C18—C19—C20 | 120.8 (6) |
B12—B9—H9 | 122.6 | C18—C19—H26 | 119.6 |
B3—B9—H9 | 121.6 | C20—C19—H26 | 119.6 |
B12—B10—B5 | 108.4 (5) | C19—C20—C15 | 120.8 (6) |
B12—B10—B4 | 108.9 (5) | C19—C20—H27 | 119.6 |
B5—B10—B4 | 59.7 (4) | C15—C20—H27 | 119.6 |
B12—B10—B11 | 60.0 (4) | C22—C21—C26 | 118.5 (6) |
B5—B10—B11 | 59.9 (4) | C22—C21—P2 | 124.9 (5) |
B4—B10—B11 | 107.8 (5) | C26—C21—P2 | 116.1 (4) |
B12—B10—B9 | 60.9 (4) | C21—C22—C23 | 119.5 (7) |
B5—B10—B9 | 107.6 (5) | C21—C22—H28 | 120.2 |
B4—B10—B9 | 59.8 (4) | C23—C22—H28 | 120.2 |
B11—B10—B9 | 108.2 (5) | C24—C23—C22 | 121.3 (7) |
B12—B10—H10 | 120.9 | C24—C23—H29 | 119.3 |
B5—B10—H10 | 122.0 | C22—C23—H29 | 119.3 |
B4—B10—H10 | 121.7 | C23—C24—C25 | 119.6 (7) |
B11—B10—H10 | 121.8 | C23—C24—H30 | 120.2 |
B9—B10—H10 | 121.6 | C25—C24—H30 | 120.2 |
B12—B11—B7 | 60.4 (4) | C24—C25—C26 | 120.4 (7) |
B12—B11—B5 | 107.6 (5) | C24—C25—H31 | 119.8 |
B7—B11—B5 | 108.7 (5) | C26—C25—H31 | 119.8 |
B12—B11—B10 | 59.2 (4) | C25—C26—C21 | 120.6 (7) |
B7—B11—B10 | 107.9 (5) | C25—C26—H32 | 119.7 |
B5—B11—B10 | 59.8 (4) | C21—C26—H32 | 119.7 |
B12—B11—B6 | 107.9 (5) | Cl2—C27—Cl3 | 113.1 (6) |
B7—B11—B6 | 60.2 (4) | Cl2—C27—H33 | 108.9 |
B5—B11—B6 | 60.2 (4) | Cl3—C27—H33 | 108.9 |
B10—B11—B6 | 107.5 (5) | Cl2—C27—H34 | 108.9 |
B12—B11—H11 | 122.0 | Cl3—C27—H34 | 108.9 |
B7—B11—H11 | 121.2 | H33—C27—H34 | 107.8 |
B5—B11—H11 | 121.5 | ||
P1—C1—C2—P2 | 3.3 (5) |
Symmetry code: (i) −x+2, −y+2, −z+1. |