Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536807002759/bi2141sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S1600536807002759/bi2141Isup2.hkl |
CCDC reference: 636152
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 (Bruker, 2001); software used to prepare material for publication: SHELXTL.
[Co(C6H7)(C18H16P)]PF6 | F(000) = 1112 |
Mr = 546.29 | Dx = 1.494 Mg m−3 |
Monoclinic, P21/n | Mo Kα radiation, λ = 0.71073 Å |
Hall symbol: -P 2yn | Cell parameters from 4313 reflections |
a = 10.4454 (6) Å | θ = 2.4–24.3° |
b = 22.8701 (13) Å | µ = 0.89 mm−1 |
c = 10.7218 (6) Å | T = 297 K |
β = 108.501 (1)° | Plate, yellow |
V = 2428.9 (2) Å3 | 0.20 × 0.10 × 0.06 mm |
Z = 4 |
Bruker SMART CCD diffractometer | 4078 reflections with I > 2σ(I) |
Radiation source: fine-focus sealed tube | Rint = 0.038 |
Graphite monochromator | θmax = 27.0°, θmin = 2.2° |
φ and ω scans | h = −13→13 |
16458 measured reflections | k = −22→29 |
5287 independent reflections | l = −13→13 |
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)] = 0.053 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.144 | H-atom parameters constrained |
S = 1.05 | w = 1/[σ2(Fo2) + (0.0763P)2 + 0.6103P] where P = (Fo2 + 2Fc2)/3 |
5287 reflections | (Δ/σ)max = 0.001 |
325 parameters | Δρmax = 0.49 e Å−3 |
0 restraints | Δρmin = −0.24 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 | Occ. (<1) | |
Co1 | 0.74231 (4) | 0.082917 (17) | 0.73909 (3) | 0.04430 (15) | |
P1 | 0.66316 (8) | 0.20588 (4) | 0.54823 (8) | 0.0559 (2) | |
C1 | 0.7629 (3) | 0.16911 (12) | 0.6983 (3) | 0.0466 (6) | |
C2 | 0.8841 (3) | 0.13748 (13) | 0.7083 (3) | 0.0497 (7) | |
C3 | 0.9316 (3) | 0.11230 (14) | 0.8365 (3) | 0.0574 (8) | |
H3 | 1.0089 | 0.0897 | 0.8694 | 0.069* | |
C4 | 0.8414 (4) | 0.12757 (14) | 0.9049 (3) | 0.0621 (8) | |
H4 | 0.8492 | 0.1168 | 0.9906 | 0.075* | |
C5 | 0.7367 (4) | 0.16216 (13) | 0.8205 (3) | 0.0578 (8) | |
H5 | 0.6636 | 0.1777 | 0.8412 | 0.069* | |
C6 | 0.9508 (4) | 0.13294 (17) | 0.6043 (4) | 0.0737 (10) | |
H6A | 0.8832 | 0.1291 | 0.5198 | 0.111* | |
H6B | 1.0088 | 0.0993 | 0.6209 | 0.111* | |
H6C | 1.0034 | 0.1675 | 0.6055 | 0.111* | |
C7 | 0.7406 (3) | −0.00689 (15) | 0.7556 (3) | 0.0622 (9) | |
C8 | 0.7317 (4) | 0.01112 (16) | 0.6260 (4) | 0.0737 (11) | |
H8 | 0.7922 | 0.0015 | 0.5818 | 0.088* | |
C9 | 0.6166 (4) | 0.04570 (18) | 0.5767 (4) | 0.0772 (11) | |
H9 | 0.5868 | 0.0625 | 0.4935 | 0.093* | |
C10 | 0.5530 (3) | 0.05080 (17) | 0.6741 (4) | 0.0790 (11) | |
H10 | 0.4745 | 0.0716 | 0.6674 | 0.095* | |
C11 | 0.6313 (3) | 0.01828 (15) | 0.7843 (4) | 0.0665 (9) | |
H11 | 0.6129 | 0.0143 | 0.8632 | 0.080* | |
C12 | 0.8460 (4) | −0.04536 (18) | 0.8441 (5) | 0.0967 (14) | |
H12A | 0.8653 | −0.0325 | 0.9335 | 0.145* | |
H12B | 0.9267 | −0.0434 | 0.8197 | 0.145* | |
H12C | 0.8139 | −0.0849 | 0.8362 | 0.145* | |
C13 | 0.7670 (3) | 0.27055 (13) | 0.5554 (3) | 0.0517 (7) | |
C14 | 0.7430 (4) | 0.30206 (16) | 0.4398 (3) | 0.0674 (9) | |
H14 | 0.6753 | 0.2899 | 0.3646 | 0.081* | |
C15 | 0.8179 (5) | 0.35115 (18) | 0.4345 (4) | 0.0842 (12) | |
H15 | 0.7985 | 0.3726 | 0.3571 | 0.101* | |
C16 | 0.9202 (4) | 0.36818 (17) | 0.5428 (5) | 0.0843 (12) | |
H16 | 0.9719 | 0.4007 | 0.5380 | 0.101* | |
C17 | 0.9478 (4) | 0.33804 (16) | 0.6586 (4) | 0.0777 (11) | |
H17 | 1.0174 | 0.3501 | 0.7323 | 0.093* | |
C18 | 0.8712 (4) | 0.28934 (15) | 0.6650 (3) | 0.0656 (9) | |
H18 | 0.8897 | 0.2689 | 0.7437 | 0.079* | |
C19 | 0.5301 (7) | 0.2395 (5) | 0.6125 (11) | 0.057 (2) | 0.57 (3) |
C20 | 0.5486 (12) | 0.2856 (4) | 0.7010 (13) | 0.076 (3) | 0.57 (3) |
H20 | 0.6333 | 0.3026 | 0.7356 | 0.091* | 0.57 (3) |
C21 | 0.4405 (16) | 0.3062 (6) | 0.7375 (16) | 0.112 (5) | 0.57 (3) |
H21 | 0.4529 | 0.3370 | 0.7967 | 0.134* | 0.57 (3) |
C22 | 0.3139 (13) | 0.2807 (8) | 0.6857 (18) | 0.130 (8) | 0.57 (3) |
H22 | 0.2415 | 0.2945 | 0.7101 | 0.157* | 0.57 (3) |
C23 | 0.2953 (7) | 0.2346 (9) | 0.5972 (16) | 0.125 (7) | 0.57 (3) |
H23 | 0.2106 | 0.2175 | 0.5625 | 0.150* | 0.57 (3) |
C24 | 0.4034 (5) | 0.2140 (7) | 0.5607 (12) | 0.088 (3) | 0.57 (3) |
H24 | 0.3910 | 0.1831 | 0.5015 | 0.106* | 0.57 (3) |
C19A | 0.5112 (10) | 0.2704 (5) | 0.6585 (13) | 0.076 (3) | 0.43 (3) |
H19A | 0.5894 | 0.2921 | 0.6955 | 0.091* | 0.43 (3) |
C20A | 0.2774 (5) | 0.2056 (9) | 0.5478 (15) | 0.147 (9) | 0.43 (3) |
H20A | 0.1992 | 0.1839 | 0.5108 | 0.176* | 0.43 (3) |
C21A | 0.3956 (5) | 0.1907 (7) | 0.5221 (12) | 0.087 (4) | 0.43 (3) |
H21A | 0.3965 | 0.1591 | 0.4678 | 0.104* | 0.43 (3) |
C22A | 0.2761 (10) | 0.2529 (9) | 0.6289 (17) | 0.141 (10) | 0.43 (3) |
H22A | 0.1970 | 0.2628 | 0.6461 | 0.169* | 0.43 (3) |
C23A | 0.3930 (13) | 0.2853 (7) | 0.6842 (16) | 0.111 (7) | 0.43 (3) |
H23A | 0.3921 | 0.3169 | 0.7385 | 0.133* | 0.43 (3) |
C24A | 0.5125 (5) | 0.2231 (5) | 0.5774 (11) | 0.055 (3) | 0.43 (3) |
P2 | 0.77045 (9) | 0.02131 (4) | 0.23920 (9) | 0.0609 (3) | |
F1 | 0.8531 (3) | −0.01440 (16) | 0.1667 (3) | 0.1473 (13) | |
F2 | 0.7746 (4) | 0.07551 (14) | 0.1551 (4) | 0.1583 (15) | |
F3 | 0.6365 (3) | 0.00078 (15) | 0.1323 (3) | 0.1236 (10) | |
F4 | 0.6850 (3) | 0.05604 (14) | 0.3104 (3) | 0.1242 (10) | |
F5 | 0.7610 (3) | −0.03411 (14) | 0.3217 (4) | 0.1418 (12) | |
F6 | 0.9030 (3) | 0.03856 (19) | 0.3463 (4) | 0.1693 (16) |
U11 | U22 | U33 | U12 | U13 | U23 | |
Co1 | 0.0484 (2) | 0.0442 (2) | 0.0424 (2) | −0.00977 (16) | 0.01731 (17) | −0.00130 (15) |
P1 | 0.0541 (5) | 0.0591 (5) | 0.0498 (5) | −0.0050 (4) | 0.0096 (4) | 0.0098 (4) |
C1 | 0.0543 (16) | 0.0403 (16) | 0.0433 (14) | −0.0054 (12) | 0.0128 (12) | 0.0003 (11) |
C2 | 0.0462 (15) | 0.0425 (16) | 0.0600 (17) | −0.0100 (12) | 0.0160 (13) | 0.0011 (13) |
C3 | 0.0492 (16) | 0.0523 (18) | 0.0602 (18) | −0.0079 (14) | 0.0023 (14) | 0.0040 (15) |
C4 | 0.086 (2) | 0.0540 (19) | 0.0374 (15) | −0.0094 (16) | 0.0064 (15) | −0.0004 (13) |
C5 | 0.078 (2) | 0.0468 (18) | 0.0523 (17) | −0.0002 (15) | 0.0259 (16) | −0.0075 (14) |
C6 | 0.067 (2) | 0.078 (2) | 0.090 (3) | −0.0055 (18) | 0.0429 (19) | 0.012 (2) |
C7 | 0.075 (2) | 0.0467 (19) | 0.074 (2) | −0.0164 (15) | 0.0355 (18) | −0.0015 (15) |
C8 | 0.109 (3) | 0.055 (2) | 0.070 (2) | −0.032 (2) | 0.047 (2) | −0.0215 (17) |
C9 | 0.093 (3) | 0.073 (3) | 0.054 (2) | −0.039 (2) | 0.0062 (19) | −0.0033 (18) |
C10 | 0.0496 (18) | 0.074 (3) | 0.105 (3) | −0.0197 (17) | 0.0132 (19) | 0.003 (2) |
C11 | 0.072 (2) | 0.065 (2) | 0.072 (2) | −0.0246 (17) | 0.0371 (18) | 0.0030 (17) |
C12 | 0.098 (3) | 0.059 (3) | 0.137 (4) | 0.001 (2) | 0.045 (3) | 0.024 (3) |
C13 | 0.0567 (17) | 0.0447 (16) | 0.0542 (17) | 0.0048 (13) | 0.0184 (14) | 0.0078 (13) |
C14 | 0.078 (2) | 0.063 (2) | 0.060 (2) | 0.0076 (18) | 0.0210 (17) | 0.0153 (16) |
C15 | 0.106 (3) | 0.063 (2) | 0.090 (3) | 0.002 (2) | 0.042 (3) | 0.030 (2) |
C16 | 0.088 (3) | 0.057 (2) | 0.115 (3) | −0.011 (2) | 0.042 (3) | 0.010 (2) |
C17 | 0.076 (2) | 0.057 (2) | 0.092 (3) | −0.0089 (18) | 0.016 (2) | 0.000 (2) |
C18 | 0.073 (2) | 0.057 (2) | 0.062 (2) | −0.0052 (16) | 0.0139 (17) | 0.0065 (16) |
C19 | 0.056 (4) | 0.053 (5) | 0.059 (5) | 0.003 (4) | 0.013 (3) | 0.007 (4) |
C20 | 0.085 (6) | 0.067 (5) | 0.084 (6) | 0.035 (4) | 0.040 (5) | 0.011 (5) |
C21 | 0.145 (9) | 0.098 (8) | 0.121 (9) | 0.060 (7) | 0.083 (8) | 0.039 (7) |
C22 | 0.120 (10) | 0.123 (12) | 0.197 (15) | 0.059 (9) | 0.120 (11) | 0.085 (11) |
C23 | 0.062 (6) | 0.139 (13) | 0.191 (14) | 0.025 (6) | 0.064 (8) | 0.081 (11) |
C24 | 0.065 (6) | 0.091 (8) | 0.108 (7) | −0.006 (4) | 0.027 (5) | 0.034 (6) |
C19A | 0.090 (7) | 0.065 (7) | 0.080 (8) | 0.000 (7) | 0.039 (6) | 0.014 (6) |
C20A | 0.070 (8) | 0.14 (2) | 0.134 (13) | 0.009 (10) | 0.036 (8) | 0.093 (14) |
C21A | 0.056 (6) | 0.127 (10) | 0.069 (7) | −0.022 (6) | 0.007 (4) | 0.017 (7) |
C22A | 0.154 (15) | 0.17 (2) | 0.148 (16) | 0.104 (14) | 0.112 (13) | 0.092 (16) |
C23A | 0.143 (13) | 0.090 (11) | 0.130 (13) | 0.053 (12) | 0.086 (12) | 0.055 (11) |
C24A | 0.058 (6) | 0.055 (5) | 0.048 (5) | −0.002 (4) | 0.011 (4) | 0.008 (4) |
P2 | 0.0668 (5) | 0.0635 (6) | 0.0625 (5) | 0.0006 (4) | 0.0349 (4) | −0.0077 (4) |
F1 | 0.116 (2) | 0.174 (3) | 0.187 (3) | 0.003 (2) | 0.098 (2) | −0.076 (3) |
F2 | 0.246 (4) | 0.110 (2) | 0.160 (3) | −0.031 (2) | 0.121 (3) | 0.032 (2) |
F3 | 0.0886 (17) | 0.155 (3) | 0.120 (2) | −0.0164 (17) | 0.0231 (16) | −0.034 (2) |
F4 | 0.160 (3) | 0.129 (2) | 0.112 (2) | 0.048 (2) | 0.084 (2) | −0.0076 (18) |
F5 | 0.163 (3) | 0.111 (2) | 0.167 (3) | 0.028 (2) | 0.075 (2) | 0.056 (2) |
F6 | 0.099 (2) | 0.227 (4) | 0.152 (3) | −0.019 (2) | −0.003 (2) | −0.082 (3) |
Co1—C1 | 2.045 (3) | C13—C14 | 1.385 (4) |
Co1—C2 | 2.042 (3) | C13—C18 | 1.393 (4) |
Co1—C3 | 2.035 (3) | C14—C15 | 1.380 (5) |
Co1—C4 | 2.026 (3) | C14—H14 | 0.930 |
Co1—C5 | 2.021 (3) | C15—C16 | 1.361 (6) |
Co1—C7 | 2.062 (3) | C15—H15 | 0.930 |
Co1—C8 | 2.023 (3) | C16—C17 | 1.368 (5) |
Co1—C9 | 2.007 (3) | C16—H16 | 0.930 |
Co1—C10 | 2.015 (3) | C17—C18 | 1.386 (5) |
Co1—C11 | 2.030 (3) | C17—H17 | 0.930 |
P1—C19 | 1.899 (7) | C18—H18 | 0.930 |
P1—C24A | 1.745 (5) | C19—C20 | 1.390 |
P1—C13 | 1.821 (3) | C19—C24 | 1.390 |
P1—C1 | 1.822 (3) | C20—C21 | 1.390 |
C1—C5 | 1.430 (4) | C20—H20 | 0.930 |
C1—C2 | 1.432 (4) | C21—C22 | 1.390 |
C2—C3 | 1.426 (4) | C21—H21 | 0.930 |
C2—C6 | 1.495 (4) | C22—C23 | 1.390 |
C3—C4 | 1.409 (5) | C22—H22 | 0.930 |
C3—H3 | 0.930 | C23—C24 | 1.390 |
C4—C5 | 1.418 (5) | C23—H23 | 0.930 |
C4—H4 | 0.930 | C24—H24 | 0.930 |
C5—H5 | 0.930 | C22A—C20A | 1.390 |
C6—H6A | 0.960 | C22A—C23A | 1.390 |
C6—H6B | 0.960 | C22A—H22A | 0.930 |
C6—H6C | 0.960 | C20A—C21A | 1.390 |
C7—C11 | 1.397 (5) | C20A—H20A | 0.930 |
C7—C8 | 1.423 (4) | C21A—C24A | 1.390 |
C7—C12 | 1.491 (5) | C21A—H21A | 0.930 |
C8—C9 | 1.395 (6) | C24A—C19A | 1.390 |
C8—H8 | 0.930 | C19A—C23A | 1.390 |
C9—C10 | 1.409 (6) | C19A—H19A | 0.930 |
C9—H9 | 0.930 | C23A—H23A | 0.930 |
C10—C11 | 1.416 (5) | P2—F2 | 1.542 (3) |
C10—H10 | 0.930 | P2—F6 | 1.544 (3) |
C11—H11 | 0.930 | P2—F4 | 1.563 (2) |
C12—H12A | 0.960 | P2—F1 | 1.563 (2) |
C12—H12B | 0.960 | P2—F5 | 1.567 (3) |
C12—H12C | 0.960 | P2—F3 | 1.573 (3) |
C9—Co1—C10 | 41.02 (16) | C7—C8—H8 | 125.8 |
C9—Co1—C5 | 130.88 (17) | Co1—C8—H8 | 125.5 |
C10—Co1—C5 | 108.46 (16) | C8—C9—C10 | 108.5 (3) |
C9—Co1—C8 | 40.51 (16) | C8—C9—Co1 | 70.3 (2) |
C10—Co1—C8 | 68.64 (17) | C10—C9—Co1 | 69.8 (2) |
C5—Co1—C8 | 169.53 (15) | C8—C9—H9 | 125.7 |
C9—Co1—C4 | 170.40 (18) | C10—C9—H9 | 125.7 |
C10—Co1—C4 | 131.22 (17) | Co1—C9—H9 | 125.7 |
C5—Co1—C4 | 41.02 (13) | C9—C10—C11 | 106.9 (3) |
C8—Co1—C4 | 148.25 (16) | C9—C10—Co1 | 69.20 (19) |
C9—Co1—C11 | 68.41 (15) | C11—C10—Co1 | 70.08 (18) |
C10—Co1—C11 | 40.96 (15) | C9—C10—H10 | 126.5 |
C5—Co1—C11 | 116.94 (14) | C11—C10—H10 | 126.5 |
C8—Co1—C11 | 67.97 (14) | Co1—C10—H10 | 125.8 |
C4—Co1—C11 | 109.22 (14) | C7—C11—C10 | 109.2 (3) |
C9—Co1—C3 | 147.88 (16) | C7—C11—Co1 | 71.28 (18) |
C10—Co1—C3 | 170.00 (16) | C10—C11—Co1 | 68.96 (18) |
C5—Co1—C3 | 68.81 (14) | C7—C11—H11 | 125.4 |
C8—Co1—C3 | 115.81 (16) | C10—C11—H11 | 125.4 |
C4—Co1—C3 | 40.60 (14) | Co1—C11—H11 | 126.0 |
C11—Co1—C3 | 130.81 (14) | C7—C12—H12A | 109.5 |
C9—Co1—C2 | 115.31 (14) | C7—C12—H12B | 109.5 |
C10—Co1—C2 | 148.15 (15) | H12A—C12—H12B | 109.5 |
C5—Co1—C2 | 69.11 (13) | C7—C12—H12C | 109.5 |
C8—Co1—C2 | 107.70 (13) | H12A—C12—H12C | 109.5 |
C4—Co1—C2 | 68.83 (13) | H12B—C12—H12C | 109.5 |
C11—Co1—C2 | 169.14 (13) | C14—C13—C18 | 117.7 (3) |
C3—Co1—C2 | 40.94 (12) | C14—C13—P1 | 116.6 (3) |
C9—Co1—C1 | 107.92 (14) | C18—C13—P1 | 125.6 (2) |
C10—Co1—C1 | 115.83 (14) | C15—C14—C13 | 121.0 (4) |
C5—Co1—C1 | 41.17 (13) | C15—C14—H14 | 119.5 |
C8—Co1—C1 | 130.08 (13) | C13—C14—H14 | 119.5 |
C4—Co1—C1 | 69.06 (12) | C16—C15—C14 | 120.0 (4) |
C11—Co1—C1 | 149.28 (14) | C16—C15—H15 | 120.0 |
C3—Co1—C1 | 68.92 (12) | C14—C15—H15 | 120.0 |
C2—Co1—C1 | 41.02 (12) | C15—C16—C17 | 120.8 (4) |
C9—Co1—C7 | 68.35 (15) | C15—C16—H16 | 119.6 |
C10—Co1—C7 | 68.44 (15) | C17—C16—H16 | 119.6 |
C5—Co1—C7 | 148.65 (13) | C16—C17—C18 | 119.4 (4) |
C8—Co1—C7 | 40.77 (13) | C16—C17—H17 | 120.3 |
C4—Co1—C7 | 116.27 (13) | C18—C17—H17 | 120.3 |
C11—Co1—C7 | 39.92 (13) | C17—C18—C13 | 121.0 (3) |
C3—Co1—C7 | 108.56 (13) | C17—C18—H18 | 119.5 |
C2—Co1—C7 | 130.47 (12) | C13—C18—H18 | 119.5 |
C1—Co1—C7 | 169.33 (12) | C20—C19—C24 | 120.0 |
C24A—P1—C13 | 111.6 (4) | C20—C19—P1 | 126.5 (3) |
C24A—P1—C1 | 104.0 (2) | C24—C19—P1 | 113.5 (3) |
C13—P1—C1 | 99.89 (13) | C19—C20—C21 | 120.0 |
C13—P1—C19 | 98.7 (4) | C19—C20—H20 | 120.0 |
C1—P1—C19 | 98.4 (2) | C21—C20—H20 | 120.0 |
C5—C1—C2 | 107.3 (3) | C22—C21—C20 | 120.0 |
C5—C1—P1 | 129.7 (3) | C22—C21—H21 | 120.0 |
C2—C1—P1 | 122.9 (2) | C20—C21—H21 | 120.0 |
C5—C1—Co1 | 68.50 (16) | C21—C22—C23 | 120.0 |
C2—C1—Co1 | 69.36 (15) | C21—C22—H22 | 120.0 |
P1—C1—Co1 | 124.35 (15) | C23—C22—H22 | 120.0 |
C3—C2—C1 | 107.8 (3) | C24—C23—C22 | 120.0 |
C3—C2—C6 | 126.1 (3) | C24—C23—H23 | 120.0 |
C1—C2—C6 | 126.1 (3) | C22—C23—H23 | 120.0 |
C3—C2—Co1 | 69.27 (16) | C23—C24—C19 | 120.0 |
C1—C2—Co1 | 69.62 (15) | C23—C24—H24 | 120.0 |
C6—C2—Co1 | 127.7 (2) | C19—C24—H24 | 120.0 |
C4—C3—C2 | 108.4 (3) | C20A—C22A—C23A | 120.0 |
C4—C3—Co1 | 69.38 (18) | C20A—C22A—H22A | 120.0 |
C2—C3—Co1 | 69.79 (16) | C23A—C22A—H22A | 120.0 |
C4—C3—H3 | 125.8 | C21A—C20A—C22A | 120.0 |
C2—C3—H3 | 125.8 | C21A—C20A—H20A | 120.0 |
Co1—C3—H3 | 126.6 | C22A—C20A—H20A | 120.0 |
C3—C4—C5 | 108.3 (3) | C20A—C21A—C24A | 120.0 |
C3—C4—Co1 | 70.02 (17) | C20A—C21A—H21A | 120.0 |
C5—C4—Co1 | 69.27 (17) | C24A—C21A—H21A | 120.0 |
C3—C4—H4 | 125.9 | C21A—C24A—C19A | 120.0 |
C5—C4—H4 | 125.9 | C21A—C24A—P1 | 121.5 (4) |
Co1—C4—H4 | 126.4 | C19A—C24A—P1 | 118.5 (4) |
C4—C5—C1 | 108.3 (3) | C23A—C19A—C24A | 120.0 |
C4—C5—Co1 | 69.70 (18) | C23A—C19A—H19A | 120.0 |
C1—C5—Co1 | 70.33 (16) | C24A—C19A—H19A | 120.0 |
C4—C5—H5 | 125.9 | C19A—C23A—C22A | 120.0 |
C1—C5—H5 | 125.9 | C19A—C23A—H23A | 120.0 |
Co1—C5—H5 | 125.7 | C22A—C23A—H23A | 120.0 |
C2—C6—H6A | 109.5 | F2—P2—F6 | 92.5 (2) |
C2—C6—H6B | 109.5 | F2—P2—F4 | 90.2 (2) |
H6A—C6—H6B | 109.5 | F6—P2—F4 | 91.35 (19) |
C2—C6—H6C | 109.5 | F2—P2—F1 | 90.4 (2) |
H6A—C6—H6C | 109.5 | F6—P2—F1 | 89.80 (19) |
H6B—C6—H6C | 109.5 | F4—P2—F1 | 178.69 (19) |
C11—C7—C8 | 106.9 (3) | F2—P2—F5 | 178.0 (2) |
C11—C7—C12 | 126.4 (3) | F6—P2—F5 | 89.4 (2) |
C8—C7—C12 | 126.8 (4) | F4—P2—F5 | 89.27 (18) |
C11—C7—Co1 | 68.8 (2) | F1—P2—F5 | 90.1 (2) |
C8—C7—Co1 | 68.13 (19) | F2—P2—F3 | 89.8 (2) |
C12—C7—Co1 | 128.1 (3) | F6—P2—F3 | 177.4 (2) |
C9—C8—C7 | 108.4 (3) | F4—P2—F3 | 89.64 (17) |
C9—C8—Co1 | 69.2 (2) | F1—P2—F3 | 89.18 (17) |
C7—C8—Co1 | 71.09 (19) | F5—P2—F3 | 88.23 (19) |
C9—C8—H8 | 125.8 | ||
C24A—P1—C1—C5 | −8.0 (6) | C5—Co1—C7—C8 | 172.2 (3) |
C13—P1—C1—C5 | 107.4 (3) | C4—Co1—C7—C8 | −151.6 (2) |
C19—P1—C1—C5 | 7.0 (5) | C11—Co1—C7—C8 | 119.4 (3) |
C24A—P1—C1—C2 | 167.7 (5) | C3—Co1—C7—C8 | −108.3 (2) |
C13—P1—C1—C2 | −77.0 (3) | C2—Co1—C7—C8 | −67.8 (3) |
C19—P1—C1—C2 | −177.4 (5) | C1—Co1—C7—C8 | −33.8 (8) |
C24A—P1—C1—Co1 | 81.5 (5) | C9—Co1—C7—C12 | 157.9 (4) |
C13—P1—C1—Co1 | −163.17 (18) | C10—Co1—C7—C12 | −157.8 (4) |
C19—P1—C1—Co1 | 96.4 (5) | C5—Co1—C7—C12 | −67.5 (4) |
C9—Co1—C1—C5 | 132.5 (2) | C8—Co1—C7—C12 | 120.3 (4) |
C10—Co1—C1—C5 | 88.9 (2) | C4—Co1—C7—C12 | −31.3 (4) |
C8—Co1—C1—C5 | 171.9 (2) | C11—Co1—C7—C12 | −120.3 (4) |
C4—Co1—C1—C5 | −37.9 (2) | C3—Co1—C7—C12 | 12.0 (4) |
C11—Co1—C1—C5 | 54.8 (3) | C2—Co1—C7—C12 | 52.5 (4) |
C3—Co1—C1—C5 | −81.5 (2) | C1—Co1—C7—C12 | 86.5 (7) |
C2—Co1—C1—C5 | −119.3 (3) | C11—C7—C8—C9 | −1.2 (4) |
C7—Co1—C1—C5 | −159.7 (6) | C12—C7—C8—C9 | 178.6 (3) |
C9—Co1—C1—C2 | −108.2 (2) | Co1—C7—C8—C9 | −59.3 (2) |
C10—Co1—C1—C2 | −151.8 (2) | C11—C7—C8—Co1 | 58.1 (2) |
C5—Co1—C1—C2 | 119.3 (3) | C12—C7—C8—Co1 | −122.1 (4) |
C8—Co1—C1—C2 | −68.8 (2) | C10—Co1—C8—C9 | 37.9 (2) |
C4—Co1—C1—C2 | 81.4 (2) | C5—Co1—C8—C9 | −37.9 (9) |
C11—Co1—C1—C2 | 174.0 (2) | C4—Co1—C8—C9 | 173.3 (3) |
C3—Co1—C1—C2 | 37.79 (18) | C11—Co1—C8—C9 | 82.1 (2) |
C7—Co1—C1—C2 | −40.5 (7) | C3—Co1—C8—C9 | −151.9 (2) |
C9—Co1—C1—P1 | 8.3 (2) | C2—Co1—C8—C9 | −108.5 (2) |
C10—Co1—C1—P1 | −35.3 (3) | C1—Co1—C8—C9 | −68.5 (3) |
C5—Co1—C1—P1 | −124.2 (3) | C7—Co1—C8—C9 | 119.2 (3) |
C8—Co1—C1—P1 | 47.7 (3) | C9—Co1—C8—C7 | −119.2 (3) |
C4—Co1—C1—P1 | −162.1 (2) | C10—Co1—C8—C7 | −81.3 (2) |
C11—Co1—C1—P1 | −69.5 (3) | C5—Co1—C8—C7 | −157.1 (7) |
C3—Co1—C1—P1 | 154.3 (2) | C4—Co1—C8—C7 | 54.1 (4) |
C2—Co1—C1—P1 | 116.5 (3) | C11—Co1—C8—C7 | −37.1 (2) |
C7—Co1—C1—P1 | 76.0 (7) | C3—Co1—C8—C7 | 88.9 (2) |
C5—C1—C2—C3 | −0.8 (3) | C2—Co1—C8—C7 | 132.3 (2) |
P1—C1—C2—C3 | −177.3 (2) | C1—Co1—C8—C7 | 172.27 (18) |
Co1—C1—C2—C3 | −59.0 (2) | C7—C8—C9—C10 | 1.0 (4) |
C5—C1—C2—C6 | −179.3 (3) | Co1—C8—C9—C10 | −59.6 (2) |
P1—C1—C2—C6 | 4.2 (4) | C7—C8—C9—Co1 | 60.5 (2) |
Co1—C1—C2—C6 | 122.5 (3) | C10—Co1—C9—C8 | −119.4 (3) |
C5—C1—C2—Co1 | 58.2 (2) | C5—Co1—C9—C8 | 171.5 (2) |
P1—C1—C2—Co1 | −118.3 (2) | C11—Co1—C9—C8 | −80.9 (2) |
C9—Co1—C2—C3 | −152.2 (2) | C3—Co1—C9—C8 | 52.8 (4) |
C10—Co1—C2—C3 | 172.9 (3) | C2—Co1—C9—C8 | 87.9 (2) |
C5—Co1—C2—C3 | 81.3 (2) | C1—Co1—C9—C8 | 131.5 (2) |
C8—Co1—C2—C3 | −109.2 (2) | C7—Co1—C9—C8 | −37.8 (2) |
C4—Co1—C2—C3 | 37.24 (19) | C5—Co1—C9—C10 | −69.1 (3) |
C11—Co1—C2—C3 | −44.4 (7) | C8—Co1—C9—C10 | 119.4 (3) |
C1—Co1—C2—C3 | 119.3 (3) | C11—Co1—C9—C10 | 38.5 (2) |
C7—Co1—C2—C3 | −69.8 (2) | C3—Co1—C9—C10 | 172.3 (2) |
C9—Co1—C2—C1 | 88.6 (2) | C2—Co1—C9—C10 | −152.6 (2) |
C10—Co1—C2—C1 | 53.7 (3) | C1—Co1—C9—C10 | −109.0 (2) |
C5—Co1—C2—C1 | −37.92 (18) | C7—Co1—C9—C10 | 81.6 (2) |
C8—Co1—C2—C1 | 131.51 (19) | C8—C9—C10—C11 | −0.3 (4) |
C4—Co1—C2—C1 | −82.02 (19) | Co1—C9—C10—C11 | −60.2 (2) |
C11—Co1—C2—C1 | −163.7 (6) | C8—C9—C10—Co1 | 59.9 (2) |
C3—Co1—C2—C1 | −119.3 (3) | C5—Co1—C10—C9 | 131.9 (2) |
C7—Co1—C2—C1 | 170.92 (18) | C8—Co1—C10—C9 | −37.4 (2) |
C9—Co1—C2—C6 | −32.0 (3) | C4—Co1—C10—C9 | 172.0 (2) |
C10—Co1—C2—C6 | −66.9 (4) | C11—Co1—C10—C9 | −118.0 (3) |
C5—Co1—C2—C6 | −158.5 (3) | C2—Co1—C10—C9 | 52.0 (4) |
C8—Co1—C2—C6 | 11.0 (3) | C1—Co1—C10—C9 | 88.0 (3) |
C4—Co1—C2—C6 | 157.5 (3) | C7—Co1—C10—C9 | −81.4 (3) |
C11—Co1—C2—C6 | 75.8 (8) | C9—Co1—C10—C11 | 118.0 (3) |
C3—Co1—C2—C6 | 120.2 (4) | C5—Co1—C10—C11 | −110.1 (2) |
C1—Co1—C2—C6 | −120.5 (4) | C8—Co1—C10—C11 | 80.6 (2) |
C7—Co1—C2—C6 | 50.4 (3) | C4—Co1—C10—C11 | −70.0 (3) |
C1—C2—C3—C4 | 0.4 (3) | C2—Co1—C10—C11 | 170.0 (2) |
C6—C2—C3—C4 | 178.9 (3) | C1—Co1—C10—C11 | −154.1 (2) |
Co1—C2—C3—C4 | −58.8 (2) | C7—Co1—C10—C11 | 36.6 (2) |
C1—C2—C3—Co1 | 59.18 (19) | C8—C7—C11—C10 | 1.0 (4) |
C6—C2—C3—Co1 | −122.3 (3) | C12—C7—C11—C10 | −178.8 (3) |
C9—Co1—C3—C4 | 172.4 (3) | Co1—C7—C11—C10 | 58.7 (2) |
C5—Co1—C3—C4 | 37.72 (19) | C8—C7—C11—Co1 | −57.7 (2) |
C8—Co1—C3—C4 | −152.5 (2) | C12—C7—C11—Co1 | 122.5 (4) |
C11—Co1—C3—C4 | −70.2 (3) | C9—C10—C11—C7 | −0.5 (4) |
C2—Co1—C3—C4 | 119.9 (3) | Co1—C10—C11—C7 | −60.1 (2) |
C1—Co1—C3—C4 | 82.0 (2) | C9—C10—C11—Co1 | 59.7 (2) |
C7—Co1—C3—C4 | −109.0 (2) | C9—Co1—C11—C7 | 81.6 (2) |
C9—Co1—C3—C2 | 52.5 (4) | C10—Co1—C11—C7 | 120.2 (3) |
C5—Co1—C3—C2 | −82.15 (19) | C5—Co1—C11—C7 | −152.3 (2) |
C8—Co1—C3—C2 | 87.6 (2) | C8—Co1—C11—C7 | 37.9 (2) |
C4—Co1—C3—C2 | −119.9 (3) | C4—Co1—C11—C7 | −108.3 (2) |
C11—Co1—C3—C2 | 169.96 (19) | C3—Co1—C11—C7 | −67.9 (3) |
C1—Co1—C3—C2 | −37.85 (18) | C2—Co1—C11—C7 | −30.6 (8) |
C7—Co1—C3—C2 | 131.13 (18) | C1—Co1—C11—C7 | 170.6 (2) |
C2—C3—C4—C5 | 0.2 (4) | C9—Co1—C11—C10 | −38.6 (2) |
Co1—C3—C4—C5 | −58.9 (2) | C5—Co1—C11—C10 | 87.5 (3) |
C2—C3—C4—Co1 | 59.1 (2) | C8—Co1—C11—C10 | −82.3 (3) |
C10—Co1—C4—C3 | 171.8 (2) | C4—Co1—C11—C10 | 131.5 (2) |
C5—Co1—C4—C3 | −119.6 (3) | C3—Co1—C11—C10 | 171.9 (2) |
C8—Co1—C4—C3 | 52.1 (3) | C2—Co1—C11—C10 | −150.8 (6) |
C11—Co1—C4—C3 | 131.1 (2) | C1—Co1—C11—C10 | 50.4 (4) |
C2—Co1—C4—C3 | −37.55 (18) | C7—Co1—C11—C10 | −120.2 (3) |
C1—Co1—C4—C3 | −81.6 (2) | C24A—P1—C13—C14 | −87.3 (4) |
C7—Co1—C4—C3 | 88.3 (2) | C1—P1—C13—C14 | 163.3 (3) |
C10—Co1—C4—C5 | −68.6 (3) | C19—P1—C13—C14 | −96.5 (4) |
C8—Co1—C4—C5 | 171.7 (2) | C24A—P1—C13—C18 | 95.6 (4) |
C11—Co1—C4—C5 | −109.3 (2) | C1—P1—C13—C18 | −13.9 (3) |
C3—Co1—C4—C5 | 119.6 (3) | C19—P1—C13—C18 | 86.3 (4) |
C2—Co1—C4—C5 | 82.1 (2) | C18—C13—C14—C15 | −1.4 (5) |
C1—Co1—C4—C5 | 38.0 (2) | P1—C13—C14—C15 | −178.9 (3) |
C7—Co1—C4—C5 | −152.09 (19) | C13—C14—C15—C16 | 2.2 (6) |
C3—C4—C5—C1 | −0.7 (4) | C14—C15—C16—C17 | −1.7 (7) |
Co1—C4—C5—C1 | −60.0 (2) | C15—C16—C17—C18 | 0.5 (6) |
C3—C4—C5—Co1 | 59.3 (2) | C16—C17—C18—C13 | 0.2 (6) |
C2—C1—C5—C4 | 0.9 (3) | C14—C13—C18—C17 | 0.2 (5) |
P1—C1—C5—C4 | 177.1 (2) | P1—C13—C18—C17 | 177.4 (3) |
Co1—C1—C5—C4 | 59.6 (2) | C24A—P1—C19—C20 | −176.47 (5) |
C2—C1—C5—Co1 | −58.7 (2) | C13—P1—C19—C20 | −30.2 (2) |
P1—C1—C5—Co1 | 117.5 (2) | C1—P1—C19—C20 | 71.2 (3) |
C9—Co1—C5—C4 | 172.7 (2) | C24A—P1—C19—C24 | 2.54 (16) |
C10—Co1—C5—C4 | 132.4 (2) | C13—P1—C19—C24 | 148.82 (19) |
C8—Co1—C5—C4 | −155.5 (8) | C1—P1—C19—C24 | −109.8 (2) |
C11—Co1—C5—C4 | 88.8 (2) | C24—C19—C20—C21 | 0.0 |
C3—Co1—C5—C4 | −37.3 (2) | P1—C19—C20—C21 | 179.0 (2) |
C2—Co1—C5—C4 | −81.4 (2) | C19—C20—C21—C22 | 0.0 |
C1—Co1—C5—C4 | −119.1 (3) | C20—C21—C22—C23 | 0.0 |
C7—Co1—C5—C4 | 53.8 (3) | C21—C22—C23—C24 | 0.0 |
C9—Co1—C5—C1 | −68.2 (3) | C22—C23—C24—C19 | 0.0 |
C10—Co1—C5—C1 | −108.4 (2) | C20—C19—C24—C23 | 0.0 |
C8—Co1—C5—C1 | −36.3 (9) | P1—C19—C24—C23 | −179.1 (2) |
C4—Co1—C5—C1 | 119.1 (3) | C23A—C22A—C20A—C21A | 0.0 |
C11—Co1—C5—C1 | −152.1 (2) | C22A—C20A—C21A—C24A | 0.0 |
C3—Co1—C5—C1 | 81.8 (2) | C20A—C21A—C24A—C19A | 0.0 |
C2—Co1—C5—C1 | 37.78 (19) | C20A—C21A—C24A—P1 | 179.8 (2) |
C7—Co1—C5—C1 | 172.9 (2) | C13—P1—C24A—C21A | 150.40 (19) |
C9—Co1—C7—C11 | −81.8 (2) | C1—P1—C24A—C21A | −102.8 (3) |
C10—Co1—C7—C11 | −37.5 (2) | C19—P1—C24A—C21A | −173.43 (15) |
C5—Co1—C7—C11 | 52.8 (4) | C13—P1—C24A—C19A | −29.8 (2) |
C8—Co1—C7—C11 | −119.4 (3) | C1—P1—C24A—C19A | 77.0 (3) |
C4—Co1—C7—C11 | 89.0 (2) | C19—P1—C24A—C19A | 6.36 (8) |
C3—Co1—C7—C11 | 132.3 (2) | C21A—C24A—C19A—C23A | 0.0 |
C2—Co1—C7—C11 | 172.8 (2) | P1—C24A—C19A—C23A | −179.8 (2) |
C1—Co1—C7—C11 | −153.2 (6) | C24A—C19A—C23A—C22A | 0.0 |
C9—Co1—C7—C8 | 37.6 (2) | C20A—C22A—C23A—C19A | 0.0 |
C10—Co1—C7—C8 | 81.9 (2) |