metal-organic compounds
In the crystal structure of the title compound, [PdCl2(C12H23N)(C18H15P)], the Pd atom is four-coordinate in a nearly square-planar environment, with Pd-Cl = 2.2974 (6) and 2.3055 (7) Å, Pd-N = 2.1573 (17) Å and Pd-P = 2.2504 (7) Å. Both cyclohexyl rings adopt chair conformations.
Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536804024912/lh6286sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S1600536804024912/lh6286Isup2.hkl |
CCDC reference: 255415
Computing details top
Data collection: COLLECT (Hooft, 1998); cell refinement: HKL DENZO (Otwinowski & Minor, 1997); data reduction: SCALEPACK (Otwinowski & Minor, 1997); program(s) used to solve structure: SAPI91 (Fan, 1991); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ORTEPII (Johnson, 1976); software used to prepare material for publication: SHELXL97 (Sheldrick, 1997).
trans-Dichloro(dicyclohexylamine)(triphenylphosphine)palladium(II) top
Crystal data top
[PdCl2(C12H23N)(C18H15P)] | F(000) = 1280 |
Mr = 620.88 | Dx = 1.452 Mg m−3 |
Monoclinic, P21/n | Melting point: 483-485 (decomp) K |
Hall symbol: -P 2yn | Mo Kα radiation, λ = 0.71073 Å |
a = 10.326 (2) Å | Cell parameters from 12408 reflections |
b = 24.760 (4) Å | θ = 3.7–27.5° |
c = 11.178 (2) Å | µ = 0.92 mm−1 |
β = 96.274 (7)° | T = 173 K |
V = 2840.8 (9) Å3 | Prism, yellow |
Z = 4 | 0.14 × 0.12 × 0.12 mm |
Data collection top
Nonius KappaCCD diffractometer | 6483 independent reflections |
Radiation source: fine-focus sealed tube | 5185 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.035 |
ω and φ scans | θmax = 27.5°, θmin = 3.7° |
Absorption correction: multi-scan (SORTAV; Blessing, 1997) | h = −13→13 |
Tmin = 0.882, Tmax = 0.898 | k = −32→31 |
12408 measured reflections | l = −14→14 |
Refinement top
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)] = 0.029 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.068 | H-atom parameters constrained |
S = 1.02 | w = 1/[σ2(Fo2) + (0.0257P)2 + 0.6275P] where P = (Fo2 + 2Fc2)/3 |
6483 reflections | (Δ/σ)max = 0.001 |
316 parameters | Δρmax = 0.49 e Å−3 |
0 restraints | Δρmin = −0.72 e Å−3 |
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
x | y | z | Uiso*/Ueq | ||
Pd1 | 0.351510 (15) | 0.390695 (6) | 0.376312 (14) | 0.01704 (6) | |
Cl1 | 0.29242 (5) | 0.30318 (2) | 0.41525 (5) | 0.02685 (13) | |
Cl2 | 0.43463 (6) | 0.47302 (2) | 0.32846 (5) | 0.03184 (14) | |
P1 | 0.26264 (5) | 0.37534 (2) | 0.18647 (5) | 0.01856 (12) | |
N1 | 0.41235 (15) | 0.40935 (7) | 0.56251 (14) | 0.0171 (4) | |
H1N | 0.4602 | 0.4410 | 0.5591 | 0.020* | |
C1 | 0.50808 (19) | 0.36995 (9) | 0.62420 (18) | 0.0191 (4) | |
H1 | 0.4686 | 0.3331 | 0.6167 | 0.023* | |
C2 | 0.5464 (2) | 0.38149 (9) | 0.7574 (2) | 0.0237 (5) | |
H2A | 0.4682 | 0.3795 | 0.8012 | 0.028* | |
H2B | 0.5825 | 0.4185 | 0.7671 | 0.028* | |
C3 | 0.6478 (2) | 0.34072 (10) | 0.8109 (2) | 0.0309 (6) | |
H3A | 0.6725 | 0.3493 | 0.8969 | 0.037* | |
H3B | 0.6094 | 0.3040 | 0.8059 | 0.037* | |
C4 | 0.7684 (2) | 0.34162 (10) | 0.7448 (2) | 0.0339 (6) | |
H4A | 0.8304 | 0.3137 | 0.7788 | 0.041* | |
H4B | 0.8116 | 0.3772 | 0.7560 | 0.041* | |
C5 | 0.7328 (2) | 0.33112 (10) | 0.6116 (2) | 0.0360 (6) | |
H5A | 0.7000 | 0.2937 | 0.6002 | 0.043* | |
H5B | 0.8118 | 0.3346 | 0.5694 | 0.043* | |
C6 | 0.6291 (2) | 0.37042 (10) | 0.5563 (2) | 0.0279 (5) | |
H6A | 0.6038 | 0.3605 | 0.4712 | 0.034* | |
H6B | 0.6659 | 0.4074 | 0.5579 | 0.034* | |
C7 | 0.30186 (18) | 0.42505 (8) | 0.63238 (18) | 0.0184 (4) | |
H7 | 0.3403 | 0.4393 | 0.7122 | 0.022* | |
C8 | 0.2146 (2) | 0.37771 (9) | 0.6556 (2) | 0.0233 (5) | |
H8A | 0.2669 | 0.3492 | 0.7003 | 0.028* | |
H8B | 0.1763 | 0.3623 | 0.5780 | 0.028* | |
C9 | 0.1053 (2) | 0.39604 (9) | 0.7286 (2) | 0.0291 (5) | |
H9A | 0.0484 | 0.3649 | 0.7421 | 0.035* | |
H9B | 0.1435 | 0.4095 | 0.8082 | 0.035* | |
C10 | 0.0246 (2) | 0.44053 (9) | 0.6630 (2) | 0.0296 (5) | |
H10A | −0.0435 | 0.4527 | 0.7127 | 0.036* | |
H10B | −0.0191 | 0.4263 | 0.5861 | 0.036* | |
C11 | 0.1111 (2) | 0.48800 (9) | 0.6377 (2) | 0.0265 (5) | |
H11A | 0.1475 | 0.5044 | 0.7149 | 0.032* | |
H11B | 0.0580 | 0.5157 | 0.5913 | 0.032* | |
C12 | 0.2229 (2) | 0.47063 (9) | 0.56693 (19) | 0.0222 (5) | |
H12A | 0.1872 | 0.4582 | 0.4858 | 0.027* | |
H12B | 0.2806 | 0.5019 | 0.5571 | 0.027* | |
C13 | 0.0921 (2) | 0.35599 (8) | 0.18920 (19) | 0.0213 (5) | |
C14 | 0.0238 (2) | 0.37942 (9) | 0.2769 (2) | 0.0260 (5) | |
H14 | 0.0680 | 0.4029 | 0.3348 | 0.031* | |
C15 | −0.1074 (2) | 0.36902 (9) | 0.2810 (2) | 0.0300 (5) | |
H15 | −0.1528 | 0.3858 | 0.3405 | 0.036* | |
C16 | −0.1718 (2) | 0.33437 (10) | 0.1987 (2) | 0.0350 (6) | |
H16 | −0.2618 | 0.3271 | 0.2013 | 0.042* | |
C17 | −0.1058 (2) | 0.31015 (10) | 0.1126 (3) | 0.0407 (7) | |
H17 | −0.1505 | 0.2861 | 0.0562 | 0.049* | |
C18 | 0.0259 (2) | 0.32065 (9) | 0.1074 (2) | 0.0318 (6) | |
H18 | 0.0706 | 0.3036 | 0.0478 | 0.038* | |
C19 | 0.3431 (2) | 0.32432 (9) | 0.10398 (19) | 0.0223 (5) | |
C20 | 0.4484 (2) | 0.29556 (9) | 0.1612 (2) | 0.0256 (5) | |
H20 | 0.4756 | 0.3016 | 0.2440 | 0.031* | |
C21 | 0.5133 (2) | 0.25815 (9) | 0.0975 (2) | 0.0314 (6) | |
H21 | 0.5858 | 0.2391 | 0.1368 | 0.038* | |
C22 | 0.4740 (2) | 0.24825 (9) | −0.0223 (2) | 0.0334 (6) | |
H22 | 0.5184 | 0.2222 | −0.0651 | 0.040* | |
C23 | 0.3696 (3) | 0.27645 (9) | −0.0798 (2) | 0.0339 (6) | |
H23 | 0.3418 | 0.2695 | −0.1622 | 0.041* | |
C24 | 0.3055 (2) | 0.31475 (9) | −0.0180 (2) | 0.0278 (5) | |
H24 | 0.2355 | 0.3347 | −0.0589 | 0.033* | |
C25 | 0.2547 (2) | 0.43476 (8) | 0.08968 (19) | 0.0214 (5) | |
C26 | 0.1609 (2) | 0.47436 (10) | 0.1014 (2) | 0.0319 (6) | |
H26 | 0.0955 | 0.4684 | 0.1535 | 0.038* | |
C27 | 0.1622 (3) | 0.52216 (10) | 0.0379 (2) | 0.0392 (6) | |
H27 | 0.0987 | 0.5491 | 0.0476 | 0.047* | |
C28 | 0.2558 (3) | 0.53094 (10) | −0.0398 (2) | 0.0392 (6) | |
H28 | 0.2561 | 0.5637 | −0.0840 | 0.047* | |
C29 | 0.3482 (3) | 0.49200 (10) | −0.0526 (2) | 0.0358 (6) | |
H29 | 0.4118 | 0.4978 | −0.1065 | 0.043* | |
C30 | 0.3492 (2) | 0.44431 (9) | 0.0124 (2) | 0.0276 (5) | |
H30 | 0.4147 | 0.4180 | 0.0043 | 0.033* |
Atomic displacement parameters (Å2) top
U11 | U22 | U33 | U12 | U13 | U23 | |
Pd1 | 0.01936 (9) | 0.01616 (9) | 0.01542 (9) | −0.00214 (7) | 0.00111 (6) | 0.00054 (6) |
Cl1 | 0.0363 (3) | 0.0180 (3) | 0.0259 (3) | −0.0055 (2) | 0.0020 (2) | 0.0023 (2) |
Cl2 | 0.0465 (4) | 0.0264 (3) | 0.0216 (3) | −0.0170 (3) | −0.0011 (3) | 0.0033 (2) |
P1 | 0.0212 (3) | 0.0177 (3) | 0.0166 (3) | 0.0001 (2) | 0.0012 (2) | −0.0013 (2) |
N1 | 0.0187 (8) | 0.0178 (9) | 0.0147 (9) | −0.0008 (7) | 0.0014 (7) | 0.0011 (7) |
C1 | 0.0189 (10) | 0.0186 (11) | 0.0194 (11) | 0.0017 (9) | 0.0001 (9) | 0.0036 (9) |
C2 | 0.0195 (11) | 0.0299 (13) | 0.0213 (12) | 0.0019 (9) | 0.0012 (9) | 0.0033 (10) |
C3 | 0.0251 (12) | 0.0361 (14) | 0.0303 (14) | 0.0033 (11) | −0.0022 (10) | 0.0099 (11) |
C4 | 0.0186 (11) | 0.0380 (14) | 0.0446 (16) | 0.0060 (11) | 0.0006 (11) | 0.0125 (12) |
C5 | 0.0268 (12) | 0.0397 (15) | 0.0430 (16) | 0.0117 (11) | 0.0099 (11) | 0.0020 (12) |
C6 | 0.0232 (11) | 0.0356 (13) | 0.0260 (13) | 0.0043 (10) | 0.0070 (10) | 0.0000 (11) |
C7 | 0.0169 (10) | 0.0214 (11) | 0.0166 (11) | 0.0014 (9) | 0.0007 (8) | −0.0007 (9) |
C8 | 0.0197 (11) | 0.0256 (12) | 0.0248 (12) | 0.0036 (9) | 0.0042 (9) | 0.0040 (10) |
C9 | 0.0247 (12) | 0.0338 (14) | 0.0306 (14) | 0.0009 (10) | 0.0108 (10) | 0.0048 (10) |
C10 | 0.0210 (11) | 0.0362 (14) | 0.0323 (14) | 0.0061 (10) | 0.0060 (10) | −0.0012 (11) |
C11 | 0.0277 (12) | 0.0263 (13) | 0.0246 (13) | 0.0082 (10) | −0.0013 (10) | −0.0021 (10) |
C12 | 0.0233 (11) | 0.0206 (11) | 0.0220 (12) | 0.0009 (9) | −0.0012 (9) | −0.0003 (9) |
C13 | 0.0241 (11) | 0.0183 (11) | 0.0211 (12) | 0.0001 (9) | 0.0004 (9) | 0.0023 (9) |
C14 | 0.0253 (12) | 0.0282 (13) | 0.0240 (13) | −0.0046 (10) | 0.0007 (10) | −0.0037 (10) |
C15 | 0.0269 (12) | 0.0280 (13) | 0.0356 (14) | −0.0005 (11) | 0.0060 (11) | 0.0026 (11) |
C16 | 0.0228 (12) | 0.0289 (14) | 0.0522 (17) | −0.0034 (11) | −0.0013 (11) | 0.0068 (12) |
C17 | 0.0325 (14) | 0.0343 (15) | 0.0519 (18) | −0.0111 (12) | −0.0103 (12) | −0.0118 (13) |
C18 | 0.0312 (13) | 0.0277 (13) | 0.0356 (15) | −0.0025 (11) | −0.0005 (11) | −0.0107 (11) |
C19 | 0.0264 (11) | 0.0198 (11) | 0.0216 (12) | −0.0007 (9) | 0.0063 (9) | 0.0000 (9) |
C20 | 0.0230 (11) | 0.0252 (12) | 0.0290 (13) | −0.0004 (10) | 0.0043 (10) | −0.0021 (10) |
C21 | 0.0225 (12) | 0.0244 (13) | 0.0486 (16) | 0.0009 (10) | 0.0098 (11) | −0.0010 (11) |
C22 | 0.0386 (14) | 0.0206 (12) | 0.0455 (16) | −0.0024 (11) | 0.0242 (13) | −0.0061 (11) |
C23 | 0.0529 (16) | 0.0246 (13) | 0.0268 (13) | −0.0035 (12) | 0.0167 (12) | −0.0049 (11) |
C24 | 0.0377 (13) | 0.0219 (12) | 0.0239 (13) | 0.0022 (10) | 0.0043 (10) | 0.0005 (10) |
C25 | 0.0270 (11) | 0.0198 (11) | 0.0162 (11) | −0.0006 (9) | −0.0036 (9) | −0.0024 (9) |
C26 | 0.0332 (13) | 0.0261 (13) | 0.0355 (15) | 0.0036 (11) | 0.0001 (11) | 0.0051 (11) |
C27 | 0.0429 (15) | 0.0245 (13) | 0.0473 (17) | 0.0069 (11) | −0.0080 (13) | 0.0070 (12) |
C28 | 0.0573 (17) | 0.0266 (14) | 0.0298 (15) | −0.0105 (13) | −0.0132 (12) | 0.0099 (11) |
C29 | 0.0504 (16) | 0.0334 (14) | 0.0229 (14) | −0.0167 (13) | 0.0005 (12) | 0.0021 (11) |
C30 | 0.0345 (13) | 0.0251 (12) | 0.0229 (12) | −0.0026 (10) | 0.0015 (10) | −0.0003 (10) |
Geometric parameters (Å, º) top
Pd1—N1 | 2.1573 (17) | C10—H10B | 0.9900 |
Pd1—P1 | 2.2504 (7) | C11—C12 | 1.531 (3) |
Pd1—Cl2 | 2.2974 (6) | C11—H11A | 0.9900 |
Pd1—Cl1 | 2.3055 (6) | C11—H11B | 0.9900 |
Cl2—H1N | 2.68 | C12—H12A | 0.9900 |
P1—C19 | 1.818 (2) | C12—H12B | 0.9900 |
P1—C25 | 1.823 (2) | C13—C18 | 1.390 (3) |
P1—C13 | 1.828 (2) | C13—C14 | 1.395 (3) |
N1—C1 | 1.502 (2) | C14—C15 | 1.385 (3) |
N1—C7 | 1.503 (2) | C14—H14 | 0.9500 |
N1—H1N | 0.9300 | C15—C16 | 1.375 (3) |
C1—C2 | 1.525 (3) | C15—H15 | 0.9500 |
C1—C6 | 1.531 (3) | C16—C17 | 1.376 (4) |
C1—H1 | 1.0000 | C16—H16 | 0.9500 |
C2—C3 | 1.528 (3) | C17—C18 | 1.392 (3) |
C2—H2A | 0.9900 | C17—H17 | 0.9500 |
C2—H2B | 0.9900 | C18—H18 | 0.9500 |
C3—C4 | 1.516 (3) | C19—C20 | 1.395 (3) |
C3—H3A | 0.9900 | C19—C24 | 1.397 (3) |
C3—H3B | 0.9900 | C20—C21 | 1.385 (3) |
C4—C5 | 1.516 (3) | C20—H20 | 0.9500 |
C4—H4A | 0.9900 | C21—C22 | 1.378 (3) |
C4—H4B | 0.9900 | C21—H21 | 0.9500 |
C5—C6 | 1.527 (3) | C22—C23 | 1.383 (3) |
C5—H5A | 0.9900 | C22—H22 | 0.9500 |
C5—H5B | 0.9900 | C23—C24 | 1.384 (3) |
C6—H6A | 0.9900 | C23—H23 | 0.9500 |
C6—H6B | 0.9900 | C24—H24 | 0.9500 |
C7—C8 | 1.518 (3) | C25—C30 | 1.392 (3) |
C7—C12 | 1.530 (3) | C25—C26 | 1.395 (3) |
C7—H7 | 1.0000 | C26—C27 | 1.381 (3) |
C8—C9 | 1.532 (3) | C26—H26 | 0.9500 |
C8—H8A | 0.9900 | C27—C28 | 1.385 (4) |
C8—H8B | 0.9900 | C27—H27 | 0.9500 |
C9—C10 | 1.521 (3) | C28—C29 | 1.375 (4) |
C9—H9A | 0.9900 | C28—H28 | 0.9500 |
C9—H9B | 0.9900 | C29—C30 | 1.386 (3) |
C10—C11 | 1.521 (3) | C29—H29 | 0.9500 |
C10—H10A | 0.9900 | C30—H30 | 0.9500 |
N1—Pd1—P1 | 172.60 (4) | C9—C10—C11 | 110.31 (18) |
N1—Pd1—Cl2 | 87.59 (5) | C9—C10—H10A | 109.6 |
P1—Pd1—Cl2 | 93.13 (2) | C11—C10—H10A | 109.6 |
N1—Pd1—Cl1 | 94.26 (5) | C9—C10—H10B | 109.6 |
P1—Pd1—Cl1 | 86.00 (2) | C11—C10—H10B | 109.6 |
Cl2—Pd1—Cl1 | 172.39 (2) | H10A—C10—H10B | 108.1 |
Pd1—Cl2—H1N | 60.9 | C10—C11—C12 | 111.72 (18) |
C19—P1—C25 | 104.67 (10) | C10—C11—H11A | 109.3 |
C19—P1—C13 | 108.72 (10) | C12—C11—H11A | 109.3 |
C25—P1—C13 | 103.92 (10) | C10—C11—H11B | 109.3 |
C19—P1—Pd1 | 115.70 (7) | C12—C11—H11B | 109.3 |
C25—P1—Pd1 | 114.25 (7) | H11A—C11—H11B | 107.9 |
C13—P1—Pd1 | 108.83 (7) | C7—C12—C11 | 110.63 (17) |
C1—N1—C7 | 115.37 (15) | C7—C12—H12A | 109.5 |
C1—N1—Pd1 | 114.31 (12) | C11—C12—H12A | 109.5 |
C7—N1—Pd1 | 113.53 (12) | C7—C12—H12B | 109.5 |
C1—N1—H1N | 103.9 | C11—C12—H12B | 109.5 |
C7—N1—H1N | 103.9 | H12A—C12—H12B | 108.1 |
Pd1—N1—H1N | 103.9 | C18—C13—C14 | 118.2 (2) |
N1—C1—C2 | 114.47 (17) | C18—C13—P1 | 124.03 (17) |
N1—C1—C6 | 107.42 (16) | C14—C13—P1 | 117.71 (16) |
C2—C1—C6 | 110.10 (17) | C15—C14—C13 | 121.2 (2) |
N1—C1—H1 | 108.2 | C15—C14—H14 | 119.4 |
C2—C1—H1 | 108.2 | C13—C14—H14 | 119.4 |
C6—C1—H1 | 108.2 | C16—C15—C14 | 119.8 (2) |
C1—C2—C3 | 110.59 (18) | C16—C15—H15 | 120.1 |
C1—C2—H2A | 109.5 | C14—C15—H15 | 120.1 |
C3—C2—H2A | 109.5 | C15—C16—C17 | 120.0 (2) |
C1—C2—H2B | 109.5 | C15—C16—H16 | 120.0 |
C3—C2—H2B | 109.5 | C17—C16—H16 | 120.0 |
H2A—C2—H2B | 108.1 | C16—C17—C18 | 120.6 (2) |
C4—C3—C2 | 111.35 (19) | C16—C17—H17 | 119.7 |
C4—C3—H3A | 109.4 | C18—C17—H17 | 119.7 |
C2—C3—H3A | 109.4 | C13—C18—C17 | 120.2 (2) |
C4—C3—H3B | 109.4 | C13—C18—H18 | 119.9 |
C2—C3—H3B | 109.4 | C17—C18—H18 | 119.9 |
H3A—C3—H3B | 108.0 | C20—C19—C24 | 118.7 (2) |
C3—C4—C5 | 110.60 (19) | C20—C19—P1 | 119.93 (17) |
C3—C4—H4A | 109.5 | C24—C19—P1 | 121.29 (17) |
C5—C4—H4A | 109.5 | C21—C20—C19 | 120.2 (2) |
C3—C4—H4B | 109.5 | C21—C20—H20 | 119.9 |
C5—C4—H4B | 109.5 | C19—C20—H20 | 119.9 |
H4A—C4—H4B | 108.1 | C22—C21—C20 | 120.7 (2) |
C4—C5—C6 | 111.9 (2) | C22—C21—H21 | 119.7 |
C4—C5—H5A | 109.2 | C20—C21—H21 | 119.7 |
C6—C5—H5A | 109.2 | C21—C22—C23 | 119.6 (2) |
C4—C5—H5B | 109.2 | C21—C22—H22 | 120.2 |
C6—C5—H5B | 109.2 | C23—C22—H22 | 120.2 |
H5A—C5—H5B | 107.9 | C22—C23—C24 | 120.3 (2) |
C5—C6—C1 | 111.63 (18) | C22—C23—H23 | 119.8 |
C5—C6—H6A | 109.3 | C24—C23—H23 | 119.8 |
C1—C6—H6A | 109.3 | C23—C24—C19 | 120.4 (2) |
C5—C6—H6B | 109.3 | C23—C24—H24 | 119.8 |
C1—C6—H6B | 109.3 | C19—C24—H24 | 119.8 |
H6A—C6—H6B | 108.0 | C30—C25—C26 | 118.7 (2) |
N1—C7—C8 | 112.82 (16) | C30—C25—P1 | 121.08 (17) |
N1—C7—C12 | 109.71 (16) | C26—C25—P1 | 119.89 (17) |
C8—C7—C12 | 110.85 (17) | C27—C26—C25 | 120.6 (2) |
N1—C7—H7 | 107.8 | C27—C26—H26 | 119.7 |
C8—C7—H7 | 107.8 | C25—C26—H26 | 119.7 |
C12—C7—H7 | 107.8 | C26—C27—C28 | 120.2 (2) |
C7—C8—C9 | 110.36 (18) | C26—C27—H27 | 119.9 |
C7—C8—H8A | 109.6 | C28—C27—H27 | 119.9 |
C9—C8—H8A | 109.6 | C29—C28—C27 | 119.7 (2) |
C7—C8—H8B | 109.6 | C29—C28—H28 | 120.2 |
C9—C8—H8B | 109.6 | C27—C28—H28 | 120.2 |
H8A—C8—H8B | 108.1 | C28—C29—C30 | 120.5 (2) |
C10—C9—C8 | 110.73 (18) | C28—C29—H29 | 119.7 |
C10—C9—H9A | 109.5 | C30—C29—H29 | 119.7 |
C8—C9—H9A | 109.5 | C29—C30—C25 | 120.3 (2) |
C10—C9—H9B | 109.5 | C29—C30—H30 | 119.8 |
C8—C9—H9B | 109.5 | C25—C30—H30 | 119.8 |
H9A—C9—H9B | 108.1 | ||
N1—Pd1—Cl2—H1N | 2.9 | C19—P1—C13—C14 | 160.53 (17) |
P1—Pd1—Cl2—H1N | 175.5 | C25—P1—C13—C14 | −88.40 (18) |
Cl2—Pd1—P1—C19 | 107.58 (8) | Pd1—P1—C13—C14 | 33.71 (18) |
Cl1—Pd1—P1—C19 | −64.85 (8) | C18—C13—C14—C15 | −1.6 (3) |
Cl2—Pd1—P1—C25 | −14.09 (8) | P1—C13—C14—C15 | 176.62 (18) |
Cl1—Pd1—P1—C25 | 173.48 (8) | C13—C14—C15—C16 | 1.0 (4) |
Cl2—Pd1—P1—C13 | −129.71 (7) | C14—C15—C16—C17 | 0.0 (4) |
Cl1—Pd1—P1—C13 | 57.86 (7) | C15—C16—C17—C18 | −0.4 (4) |
Cl2—Pd1—N1—C1 | −120.10 (13) | C14—C13—C18—C17 | 1.2 (3) |
Cl1—Pd1—N1—C1 | 52.50 (13) | P1—C13—C18—C17 | −176.90 (19) |
Cl2—Pd1—N1—C7 | 104.70 (13) | C16—C17—C18—C13 | −0.2 (4) |
Cl1—Pd1—N1—C7 | −82.70 (13) | C25—P1—C19—C20 | 130.11 (17) |
C7—N1—C1—C2 | −42.9 (2) | C13—P1—C19—C20 | −119.33 (18) |
Pd1—N1—C1—C2 | −177.23 (13) | Pd1—P1—C19—C20 | 3.4 (2) |
C7—N1—C1—C6 | −165.46 (17) | C25—P1—C19—C24 | −47.0 (2) |
Pd1—N1—C1—C6 | 60.18 (19) | C13—P1—C19—C24 | 63.6 (2) |
N1—C1—C2—C3 | −177.77 (17) | Pd1—P1—C19—C24 | −173.66 (15) |
C6—C1—C2—C3 | −56.7 (2) | C24—C19—C20—C21 | −0.3 (3) |
C1—C2—C3—C4 | 58.1 (3) | P1—C19—C20—C21 | −177.45 (17) |
C2—C3—C4—C5 | −56.5 (3) | C19—C20—C21—C22 | −1.0 (3) |
C3—C4—C5—C6 | 54.7 (3) | C20—C21—C22—C23 | 0.8 (3) |
C4—C5—C6—C1 | −54.6 (3) | C21—C22—C23—C24 | 0.5 (3) |
N1—C1—C6—C5 | −179.57 (19) | C22—C23—C24—C19 | −1.8 (3) |
C2—C1—C6—C5 | 55.2 (3) | C20—C19—C24—C23 | 1.6 (3) |
C1—N1—C7—C8 | −63.4 (2) | P1—C19—C24—C23 | 178.76 (17) |
Pd1—N1—C7—C8 | 71.30 (18) | C19—P1—C25—C30 | −30.0 (2) |
C1—N1—C7—C12 | 172.48 (17) | C13—P1—C25—C30 | −143.98 (18) |
Pd1—N1—C7—C12 | −52.81 (19) | Pd1—P1—C25—C30 | 97.58 (18) |
N1—C7—C8—C9 | 179.14 (17) | C19—P1—C25—C26 | 156.80 (18) |
C12—C7—C8—C9 | −57.4 (2) | C13—P1—C25—C26 | 42.8 (2) |
C7—C8—C9—C10 | 58.3 (2) | Pd1—P1—C25—C26 | −75.64 (19) |
C8—C9—C10—C11 | −57.3 (3) | C30—C25—C26—C27 | −0.3 (3) |
C9—C10—C11—C12 | 56.0 (3) | P1—C25—C26—C27 | 173.11 (19) |
N1—C7—C12—C11 | −178.99 (17) | C25—C26—C27—C28 | 1.0 (4) |
C8—C7—C12—C11 | 55.8 (2) | C26—C27—C28—C29 | −0.6 (4) |
C10—C11—C12—C7 | −55.2 (2) | C27—C28—C29—C30 | −0.7 (4) |
C19—P1—C13—C18 | −21.4 (2) | C28—C29—C30—C25 | 1.5 (3) |
C25—P1—C13—C18 | 89.7 (2) | C26—C25—C30—C29 | −1.0 (3) |
Pd1—P1—C13—C18 | −148.18 (18) | P1—C25—C30—C29 | −174.27 (17) |
Hydrogen-bond geometry (Å, º) top
D—H···A | D—H | H···A | D···A | D—H···A |
N1—H1N···Cl2i | 0.93 | 2.64 | 3.471 (2) | 148 |
Symmetry code: (i) −x+1, −y+1, −z+1. |