Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536807009919/cv2197sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S1600536807009919/cv2197Isup2.hkl |
CCDC reference: 642952
Data collection: RAPID-AUTO (Rigaku, 1998); cell refinement: RAPID-AUTO; data reduction: RAPID-AUTO; 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.
(C16H36N)2[Pd2Br6] | F(000) = 2320 |
Mr = 1177.18 | Dx = 1.743 Mg m−3 |
Monoclinic, P21/c | Mo Kα radiation, λ = 0.71073 Å |
Hall symbol: -P 2ybc | Cell parameters from 24353 reflections |
a = 13.641 (3) Å | θ = 6.1–54.9° |
b = 14.869 (3) Å | µ = 6.17 mm−1 |
c = 22.476 (5) Å | T = 293 K |
β = 100.19 (3)° | Block, black |
V = 4486.8 (16) Å3 | 0.70 × 0.20 × 0.20 mm |
Z = 4 |
Bruker P4 diffractometer | 10238 independent reflections |
Radiation source: fine-focus sealed tube | 6345 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.052 |
ω scans | θmax = 27.5°, θmin = 3.0° |
Absorption correction: multi-scan (SADABS; Sheldrick, 1996) | h = −17→14 |
Tmin = 0.237, Tmax = 0.291 | k = −19→19 |
41842 measured reflections | l = −29→29 |
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)] = 0.041 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.101 | H-atom parameters constrained |
S = 1.05 | w = 1/[σ2(Fo2) + (0.04P)2 + 1.4726P] where P = (Fo2 + 2Fc2)/3 |
10238 reflections | (Δ/σ)max = 0.001 |
379 parameters | Δρmax = 0.70 e Å−3 |
0 restraints | Δρmin = −0.89 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 | ||
Pd1 | 0.65099 (2) | 0.71073 (3) | 0.403568 (14) | 0.05555 (11) | |
Pd2 | 0.87817 (2) | 0.66818 (2) | 0.348743 (13) | 0.04894 (10) | |
Br1 | 0.47786 (4) | 0.68965 (4) | 0.36273 (3) | 0.08497 (18) | |
Br2 | 0.61144 (4) | 0.78386 (5) | 0.49247 (2) | 0.08827 (19) | |
Br3 | 0.70051 (3) | 0.64346 (4) | 0.31381 (2) | 0.07708 (17) | |
Br4 | 0.82973 (3) | 0.72086 (4) | 0.442141 (19) | 0.07020 (15) | |
Br5 | 0.91453 (4) | 0.61658 (4) | 0.25307 (2) | 0.07664 (16) | |
Br6 | 1.05160 (3) | 0.69633 (4) | 0.38971 (2) | 0.07244 (15) | |
N1 | 1.2064 (2) | 0.4125 (2) | 0.35062 (14) | 0.0471 (8) | |
N2 | 1.2858 (2) | 0.9296 (2) | 0.38656 (14) | 0.0515 (8) | |
C111 | 1.1229 (3) | 0.3707 (3) | 0.3783 (2) | 0.0593 (11) | |
H11D | 1.0959 | 0.3203 | 0.3533 | 0.071* | |
H11E | 1.1515 | 0.3470 | 0.4178 | 0.071* | |
C112 | 1.0383 (3) | 0.4324 (3) | 0.3857 (2) | 0.0720 (13) | |
H11F | 1.0051 | 0.4529 | 0.3462 | 0.086* | |
H11G | 1.0643 | 0.4847 | 0.4091 | 0.086* | |
C113 | 0.9642 (4) | 0.3845 (4) | 0.4173 (2) | 0.0806 (15) | |
H11H | 0.9378 | 0.3329 | 0.3933 | 0.097* | |
H11I | 0.9985 | 0.3625 | 0.4560 | 0.097* | |
C114 | 0.8805 (5) | 0.4429 (5) | 0.4271 (4) | 0.131 (3) | |
H11A | 0.8354 | 0.4089 | 0.4466 | 0.196* | |
H11B | 0.8459 | 0.4646 | 0.3888 | 0.196* | |
H11C | 0.9059 | 0.4929 | 0.4521 | 0.196* | |
C121 | 1.1682 (3) | 0.4497 (3) | 0.28813 (17) | 0.0512 (10) | |
H12D | 1.2234 | 0.4780 | 0.2734 | 0.061* | |
H12E | 1.1197 | 0.4962 | 0.2916 | 0.061* | |
C122 | 1.1203 (3) | 0.3820 (3) | 0.2410 (2) | 0.0688 (13) | |
H12F | 1.0602 | 0.3582 | 0.2527 | 0.083* | |
H12G | 1.1658 | 0.3323 | 0.2393 | 0.083* | |
C123 | 1.0944 (4) | 0.4258 (4) | 0.1787 (2) | 0.0773 (15) | |
H12H | 1.0513 | 0.3855 | 0.1519 | 0.093* | |
H12I | 1.0575 | 0.4807 | 0.1822 | 0.093* | |
C124 | 1.1831 (5) | 0.4475 (4) | 0.1510 (2) | 0.0983 (19) | |
H12A | 1.1618 | 0.4751 | 0.1122 | 0.147* | |
H12B | 1.2190 | 0.3933 | 0.1461 | 0.147* | |
H12C | 1.2257 | 0.4883 | 0.1768 | 0.147* | |
C131 | 1.2829 (3) | 0.3379 (3) | 0.34901 (19) | 0.0544 (11) | |
H13D | 1.3059 | 0.3173 | 0.3901 | 0.065* | |
H13E | 1.2497 | 0.2877 | 0.3264 | 0.065* | |
C132 | 1.3721 (3) | 0.3627 (3) | 0.3220 (2) | 0.0611 (12) | |
H13F | 1.4025 | 0.4167 | 0.3413 | 0.073* | |
H13G | 1.3515 | 0.3752 | 0.2792 | 0.073* | |
C133 | 1.4475 (3) | 0.2869 (3) | 0.3301 (2) | 0.0711 (14) | |
H13H | 1.4163 | 0.2330 | 0.3111 | 0.085* | |
H13I | 1.4676 | 0.2747 | 0.3729 | 0.085* | |
C134 | 1.5392 (4) | 0.3084 (4) | 0.3031 (2) | 0.0892 (18) | |
H13A | 1.5844 | 0.2584 | 0.3094 | 0.134* | |
H13B | 1.5713 | 0.3609 | 0.3224 | 0.134* | |
H13C | 1.5199 | 0.3194 | 0.2606 | 0.134* | |
C141 | 1.2523 (3) | 0.4917 (3) | 0.38825 (17) | 0.0516 (10) | |
H14D | 1.3029 | 0.5179 | 0.3683 | 0.062* | |
H14E | 1.2009 | 0.5368 | 0.3884 | 0.062* | |
C142 | 1.2987 (3) | 0.4719 (3) | 0.45290 (18) | 0.0611 (12) | |
H14F | 1.3512 | 0.4277 | 0.4538 | 0.073* | |
H14G | 1.2488 | 0.4472 | 0.4741 | 0.073* | |
C143 | 1.3415 (4) | 0.5572 (3) | 0.48404 (19) | 0.0688 (13) | |
H14H | 1.3894 | 0.5827 | 0.4616 | 0.083* | |
H14I | 1.2883 | 0.6007 | 0.4835 | 0.083* | |
C144 | 1.3919 (4) | 0.5414 (4) | 0.5488 (2) | 0.0931 (18) | |
H14A | 1.4178 | 0.5973 | 0.5664 | 0.140* | |
H14B | 1.4454 | 0.4993 | 0.5495 | 0.140* | |
H14C | 1.3444 | 0.5177 | 0.5715 | 0.140* | |
C211 | 1.3929 (3) | 0.9383 (3) | 0.3763 (2) | 0.0713 (13) | |
H21D | 1.4325 | 0.9628 | 0.4128 | 0.086* | |
H21E | 1.4179 | 0.8784 | 0.3708 | 0.086* | |
C212 | 1.4099 (4) | 0.9943 (4) | 0.3249 (3) | 0.0903 (16) | |
H21F | 1.3846 | 1.0546 | 0.3286 | 0.108* | |
H21G | 1.3760 | 0.9686 | 0.2871 | 0.108* | |
C213 | 1.5260 (4) | 0.9969 (5) | 0.3262 (3) | 0.108 (2) | |
H21H | 1.5590 | 1.0229 | 0.3641 | 0.130* | |
H21I | 1.5508 | 0.9361 | 0.3236 | 0.130* | |
C214 | 1.5486 (5) | 1.0504 (5) | 0.2757 (4) | 0.135 (3) | |
H21A | 1.6193 | 1.0511 | 0.2769 | 0.202* | |
H21B | 1.5251 | 1.1108 | 0.2788 | 0.202* | |
H21C | 1.5162 | 1.0243 | 0.2383 | 0.202* | |
C221 | 1.2172 (3) | 0.8959 (3) | 0.33036 (18) | 0.0573 (11) | |
H22D | 1.1509 | 0.8899 | 0.3399 | 0.069* | |
H22E | 1.2139 | 0.9419 | 0.2995 | 0.069* | |
C222 | 1.2434 (3) | 0.8091 (3) | 0.30379 (19) | 0.0589 (11) | |
H22F | 1.2443 | 0.7614 | 0.3334 | 0.071* | |
H22G | 1.3096 | 0.8135 | 0.2938 | 0.071* | |
C223 | 1.1695 (4) | 0.7859 (3) | 0.2476 (2) | 0.0725 (14) | |
H22H | 1.1029 | 0.7881 | 0.2570 | 0.087* | |
H22I | 1.1735 | 0.8312 | 0.2170 | 0.087* | |
C224 | 1.1855 (4) | 0.6961 (4) | 0.2222 (2) | 0.0886 (17) | |
H22A | 1.1361 | 0.6858 | 0.1867 | 0.133* | |
H22B | 1.1801 | 0.6506 | 0.2517 | 0.133* | |
H22C | 1.2507 | 0.6938 | 0.2116 | 0.133* | |
C231 | 1.2483 (3) | 1.0205 (3) | 0.4031 (2) | 0.0637 (12) | |
H23D | 1.2975 | 1.0463 | 0.4350 | 0.076* | |
H23E | 1.2437 | 1.0597 | 0.3681 | 0.076* | |
C232 | 1.1489 (3) | 1.0209 (3) | 0.4236 (2) | 0.0712 (13) | |
H23F | 1.1002 | 0.9902 | 0.3938 | 0.085* | |
H23G | 1.1547 | 0.9882 | 0.4614 | 0.085* | |
C233 | 1.1134 (4) | 1.1145 (4) | 0.4324 (3) | 0.0937 (17) | |
H23H | 1.1639 | 1.1455 | 0.4608 | 0.112* | |
H23I | 1.1062 | 1.1462 | 0.3941 | 0.112* | |
C234 | 1.0167 (4) | 1.1192 (4) | 0.4549 (3) | 0.106 (2) | |
H23A | 0.9981 | 1.1810 | 0.4583 | 0.159* | |
H23B | 1.0240 | 1.0909 | 0.4938 | 0.159* | |
H23C | 0.9661 | 1.0888 | 0.4270 | 0.159* | |
C241 | 1.2857 (3) | 0.8611 (3) | 0.43660 (18) | 0.0611 (12) | |
H24D | 1.3145 | 0.8056 | 0.4249 | 0.073* | |
H24E | 1.2171 | 0.8484 | 0.4400 | 0.073* | |
C242 | 1.3419 (4) | 0.8886 (4) | 0.4988 (2) | 0.0800 (15) | |
H24F | 1.4101 | 0.9037 | 0.4960 | 0.096* | |
H24G | 1.3109 | 0.9416 | 0.5126 | 0.096* | |
C243 | 1.3415 (4) | 0.8132 (4) | 0.5441 (2) | 0.0936 (18) | |
H24H | 1.3681 | 0.7595 | 0.5283 | 0.112* | |
H24I | 1.3860 | 0.8294 | 0.5812 | 0.112* | |
C244 | 1.2454 (5) | 0.7920 (6) | 0.5587 (3) | 0.132 (3) | |
H24A | 1.2522 | 0.7431 | 0.5871 | 0.198* | |
H24B | 1.2007 | 0.7749 | 0.5226 | 0.198* | |
H24C | 1.2195 | 0.8437 | 0.5762 | 0.198* |
U11 | U22 | U33 | U12 | U13 | U23 | |
Pd1 | 0.04746 (19) | 0.0662 (2) | 0.05327 (19) | 0.01114 (16) | 0.00961 (14) | 0.00953 (16) |
Pd2 | 0.04530 (17) | 0.0498 (2) | 0.05181 (18) | 0.00214 (14) | 0.00882 (13) | 0.00025 (15) |
Br1 | 0.0505 (3) | 0.1038 (5) | 0.0987 (4) | 0.0160 (3) | 0.0080 (3) | 0.0112 (3) |
Br2 | 0.0817 (4) | 0.1140 (5) | 0.0726 (3) | 0.0258 (3) | 0.0230 (3) | −0.0066 (3) |
Br3 | 0.0485 (3) | 0.1191 (5) | 0.0615 (3) | −0.0007 (3) | 0.0037 (2) | −0.0194 (3) |
Br4 | 0.0550 (3) | 0.1010 (4) | 0.0533 (3) | 0.0045 (3) | 0.0059 (2) | −0.0116 (3) |
Br5 | 0.0809 (3) | 0.0830 (4) | 0.0707 (3) | 0.0005 (3) | 0.0262 (3) | −0.0181 (3) |
Br6 | 0.0481 (3) | 0.0704 (4) | 0.0973 (4) | −0.0034 (2) | 0.0087 (2) | −0.0051 (3) |
N1 | 0.0489 (18) | 0.0352 (19) | 0.0577 (19) | 0.0032 (15) | 0.0113 (15) | 0.0045 (15) |
N2 | 0.0480 (19) | 0.044 (2) | 0.061 (2) | −0.0021 (16) | 0.0029 (16) | −0.0034 (17) |
C111 | 0.054 (2) | 0.044 (3) | 0.083 (3) | −0.005 (2) | 0.020 (2) | 0.006 (2) |
C112 | 0.056 (3) | 0.059 (3) | 0.109 (4) | 0.001 (2) | 0.037 (3) | 0.008 (3) |
C113 | 0.069 (3) | 0.079 (4) | 0.101 (4) | 0.001 (3) | 0.034 (3) | 0.016 (3) |
C114 | 0.101 (5) | 0.102 (6) | 0.213 (8) | 0.014 (4) | 0.093 (5) | 0.035 (5) |
C121 | 0.045 (2) | 0.044 (2) | 0.063 (2) | −0.0027 (19) | 0.0061 (19) | 0.004 (2) |
C122 | 0.066 (3) | 0.056 (3) | 0.078 (3) | −0.016 (2) | −0.006 (2) | 0.004 (2) |
C123 | 0.076 (3) | 0.069 (4) | 0.076 (3) | 0.002 (3) | −0.017 (3) | −0.009 (3) |
C124 | 0.118 (5) | 0.098 (5) | 0.075 (3) | −0.015 (4) | 0.007 (3) | −0.013 (3) |
C131 | 0.057 (3) | 0.040 (3) | 0.064 (2) | 0.010 (2) | 0.004 (2) | 0.005 (2) |
C132 | 0.054 (3) | 0.059 (3) | 0.069 (3) | 0.010 (2) | 0.007 (2) | −0.003 (2) |
C133 | 0.065 (3) | 0.071 (4) | 0.075 (3) | 0.024 (3) | 0.007 (2) | −0.007 (3) |
C134 | 0.068 (3) | 0.120 (5) | 0.081 (3) | 0.031 (3) | 0.019 (3) | −0.009 (3) |
C141 | 0.053 (2) | 0.039 (2) | 0.065 (3) | −0.0022 (19) | 0.015 (2) | 0.000 (2) |
C142 | 0.068 (3) | 0.053 (3) | 0.062 (3) | −0.003 (2) | 0.013 (2) | −0.001 (2) |
C143 | 0.071 (3) | 0.067 (3) | 0.069 (3) | −0.003 (3) | 0.013 (2) | −0.009 (2) |
C144 | 0.098 (4) | 0.096 (5) | 0.078 (3) | 0.007 (3) | −0.004 (3) | −0.025 (3) |
C211 | 0.054 (3) | 0.063 (3) | 0.094 (3) | 0.000 (2) | 0.006 (2) | 0.002 (3) |
C212 | 0.091 (4) | 0.076 (4) | 0.109 (4) | 0.003 (3) | 0.032 (3) | 0.009 (3) |
C213 | 0.096 (5) | 0.099 (5) | 0.142 (6) | −0.024 (4) | 0.052 (4) | 0.004 (4) |
C214 | 0.098 (5) | 0.091 (5) | 0.229 (8) | 0.003 (4) | 0.067 (5) | 0.007 (6) |
C221 | 0.050 (2) | 0.057 (3) | 0.061 (2) | 0.003 (2) | 0.001 (2) | 0.000 (2) |
C222 | 0.050 (2) | 0.056 (3) | 0.070 (3) | 0.002 (2) | 0.010 (2) | −0.007 (2) |
C223 | 0.075 (3) | 0.072 (4) | 0.064 (3) | 0.010 (3) | −0.004 (2) | −0.011 (3) |
C224 | 0.095 (4) | 0.078 (4) | 0.095 (4) | −0.013 (3) | 0.024 (3) | −0.025 (3) |
C231 | 0.066 (3) | 0.049 (3) | 0.073 (3) | 0.000 (2) | 0.004 (2) | −0.006 (2) |
C232 | 0.058 (3) | 0.058 (3) | 0.094 (3) | 0.009 (2) | 0.003 (2) | −0.009 (3) |
C233 | 0.102 (4) | 0.067 (4) | 0.116 (4) | 0.016 (3) | 0.032 (3) | −0.011 (3) |
C234 | 0.073 (4) | 0.092 (5) | 0.152 (6) | 0.015 (3) | 0.015 (4) | −0.040 (4) |
C241 | 0.061 (3) | 0.051 (3) | 0.067 (3) | 0.000 (2) | 0.000 (2) | 0.006 (2) |
C242 | 0.087 (4) | 0.074 (4) | 0.072 (3) | −0.002 (3) | −0.005 (3) | 0.004 (3) |
C243 | 0.097 (4) | 0.101 (5) | 0.080 (4) | 0.014 (4) | 0.007 (3) | 0.007 (3) |
C244 | 0.110 (6) | 0.194 (9) | 0.096 (5) | 0.002 (6) | 0.030 (4) | 0.022 (5) |
Pd1—Br1 | 2.3982 (9) | C142—H14F | 0.9700 |
Pd1—Br2 | 2.4181 (8) | C142—H14G | 0.9700 |
Pd1—Br4 | 2.4435 (8) | C143—C144 | 1.513 (6) |
Pd1—Br3 | 2.4513 (7) | C143—H14H | 0.9700 |
Pd2—Br5 | 2.4158 (7) | C143—H14I | 0.9700 |
Pd2—Br6 | 2.4185 (8) | C144—H14A | 0.9600 |
Pd2—Br4 | 2.4389 (7) | C144—H14B | 0.9600 |
Pd2—Br3 | 2.4396 (8) | C144—H14C | 0.9600 |
N1—C121 | 1.514 (5) | C211—C212 | 1.476 (7) |
N1—C141 | 1.519 (5) | C211—H21D | 0.9700 |
N1—C111 | 1.523 (5) | C211—H21E | 0.9700 |
N1—C131 | 1.527 (5) | C212—C213 | 1.579 (7) |
N2—C231 | 1.515 (5) | C212—H21F | 0.9700 |
N2—C221 | 1.517 (5) | C212—H21G | 0.9700 |
N2—C241 | 1.518 (5) | C213—C214 | 1.464 (8) |
N2—C211 | 1.524 (5) | C213—H21H | 0.9700 |
C111—C112 | 1.506 (6) | C213—H21I | 0.9700 |
C111—H11D | 0.9700 | C214—H21A | 0.9600 |
C111—H11E | 0.9700 | C214—H21B | 0.9600 |
C112—C113 | 1.512 (6) | C214—H21C | 0.9600 |
C112—H11F | 0.9700 | C221—C222 | 1.493 (6) |
C112—H11G | 0.9700 | C221—H22D | 0.9700 |
C113—C114 | 1.482 (7) | C221—H22E | 0.9700 |
C113—H11H | 0.9700 | C222—C223 | 1.510 (6) |
C113—H11I | 0.9700 | C222—H22F | 0.9700 |
C114—H11A | 0.9600 | C222—H22G | 0.9700 |
C114—H11B | 0.9600 | C223—C224 | 1.484 (7) |
C114—H11C | 0.9600 | C223—H22H | 0.9700 |
C121—C122 | 1.521 (6) | C223—H22I | 0.9700 |
C121—H12D | 0.9700 | C224—H22A | 0.9600 |
C121—H12E | 0.9700 | C224—H22B | 0.9600 |
C122—C123 | 1.529 (6) | C224—H22C | 0.9600 |
C122—H12F | 0.9700 | C231—C232 | 1.507 (6) |
C122—H12G | 0.9700 | C231—H23D | 0.9700 |
C123—C124 | 1.490 (7) | C231—H23E | 0.9700 |
C123—H12H | 0.9700 | C232—C233 | 1.498 (7) |
C123—H12I | 0.9700 | C232—H23F | 0.9700 |
C124—H12A | 0.9600 | C232—H23G | 0.9700 |
C124—H12B | 0.9600 | C233—C234 | 1.495 (7) |
C124—H12C | 0.9600 | C233—H23H | 0.9700 |
C131—C132 | 1.500 (6) | C233—H23I | 0.9700 |
C131—H13D | 0.9700 | C234—H23A | 0.9600 |
C131—H13E | 0.9700 | C234—H23B | 0.9600 |
C132—C133 | 1.514 (6) | C234—H23C | 0.9600 |
C132—H13F | 0.9700 | C241—C242 | 1.527 (6) |
C132—H13G | 0.9700 | C241—H24D | 0.9700 |
C133—C134 | 1.518 (7) | C241—H24E | 0.9700 |
C133—H13H | 0.9700 | C242—C243 | 1.515 (7) |
C133—H13I | 0.9700 | C242—H24F | 0.9700 |
C134—H13A | 0.9600 | C242—H24G | 0.9700 |
C134—H13B | 0.9600 | C243—C244 | 1.440 (8) |
C134—H13C | 0.9600 | C243—H24H | 0.9700 |
C141—C142 | 1.508 (5) | C243—H24I | 0.9700 |
C141—H14D | 0.9700 | C244—H24A | 0.9600 |
C141—H14E | 0.9700 | C244—H24B | 0.9600 |
C142—C143 | 1.515 (6) | C244—H24C | 0.9600 |
Br1—Pd1—Br2 | 91.52 (3) | H14F—C142—H14G | 108.1 |
Br1—Pd1—Br4 | 175.62 (3) | C144—C143—C142 | 112.7 (4) |
Br2—Pd1—Br4 | 91.92 (3) | C144—C143—H14H | 109.0 |
Br1—Pd1—Br3 | 91.59 (3) | C142—C143—H14H | 109.0 |
Br2—Pd1—Br3 | 176.18 (3) | C144—C143—H14I | 109.0 |
Br4—Pd1—Br3 | 85.08 (3) | C142—C143—H14I | 109.0 |
Br5—Pd2—Br6 | 93.03 (3) | H14H—C143—H14I | 107.8 |
Br5—Pd2—Br4 | 176.15 (2) | C143—C144—H14A | 109.5 |
Br6—Pd2—Br4 | 90.71 (3) | C143—C144—H14B | 109.5 |
Br5—Pd2—Br3 | 90.82 (3) | H14A—C144—H14B | 109.5 |
Br6—Pd2—Br3 | 176.15 (2) | C143—C144—H14C | 109.5 |
Br4—Pd2—Br3 | 85.43 (3) | H14A—C144—H14C | 109.5 |
Pd2—Br3—Pd1 | 94.38 (3) | H14B—C144—H14C | 109.5 |
Pd2—Br4—Pd1 | 94.59 (3) | C212—C211—N2 | 117.0 (4) |
C121—N1—C141 | 105.9 (3) | C212—C211—H21D | 108.0 |
C121—N1—C111 | 111.6 (3) | N2—C211—H21D | 108.0 |
C141—N1—C111 | 110.6 (3) | C212—C211—H21E | 108.0 |
C121—N1—C131 | 111.6 (3) | N2—C211—H21E | 108.0 |
C141—N1—C131 | 111.1 (3) | H21D—C211—H21E | 107.3 |
C111—N1—C131 | 106.1 (3) | C211—C212—C213 | 107.1 (5) |
C231—N2—C221 | 108.2 (3) | C211—C212—H21F | 110.3 |
C231—N2—C241 | 111.9 (3) | C213—C212—H21F | 110.3 |
C221—N2—C241 | 108.3 (3) | C211—C212—H21G | 110.3 |
C231—N2—C211 | 109.6 (3) | C213—C212—H21G | 110.3 |
C221—N2—C211 | 111.6 (3) | H21F—C212—H21G | 108.5 |
C241—N2—C211 | 107.2 (3) | C214—C213—C212 | 110.3 (6) |
C112—C111—N1 | 116.0 (4) | C214—C213—H21H | 109.6 |
C112—C111—H11D | 108.3 | C212—C213—H21H | 109.6 |
N1—C111—H11D | 108.3 | C214—C213—H21I | 109.6 |
C112—C111—H11E | 108.3 | C212—C213—H21I | 109.6 |
N1—C111—H11E | 108.3 | H21H—C213—H21I | 108.1 |
H11D—C111—H11E | 107.4 | C213—C214—H21A | 109.5 |
C111—C112—C113 | 110.7 (4) | C213—C214—H21B | 109.5 |
C111—C112—H11F | 109.5 | H21A—C214—H21B | 109.5 |
C113—C112—H11F | 109.5 | C213—C214—H21C | 109.5 |
C111—C112—H11G | 109.5 | H21A—C214—H21C | 109.5 |
C113—C112—H11G | 109.5 | H21B—C214—H21C | 109.5 |
H11F—C112—H11G | 108.1 | C222—C221—N2 | 117.5 (3) |
C114—C113—C112 | 113.0 (5) | C222—C221—H22D | 107.9 |
C114—C113—H11H | 109.0 | N2—C221—H22D | 107.9 |
C112—C113—H11H | 109.0 | C222—C221—H22E | 107.9 |
C114—C113—H11I | 109.0 | N2—C221—H22E | 107.9 |
C112—C113—H11I | 109.0 | H22D—C221—H22E | 107.2 |
H11H—C113—H11I | 107.8 | C221—C222—C223 | 111.1 (4) |
C113—C114—H11A | 109.5 | C221—C222—H22F | 109.4 |
C113—C114—H11B | 109.5 | C223—C222—H22F | 109.4 |
H11A—C114—H11B | 109.5 | C221—C222—H22G | 109.4 |
C113—C114—H11C | 109.5 | C223—C222—H22G | 109.4 |
H11A—C114—H11C | 109.5 | H22F—C222—H22G | 108.0 |
H11B—C114—H11C | 109.5 | C224—C223—C222 | 113.9 (4) |
N1—C121—C122 | 116.0 (3) | C224—C223—H22H | 108.8 |
N1—C121—H12D | 108.3 | C222—C223—H22H | 108.8 |
C122—C121—H12D | 108.3 | C224—C223—H22I | 108.8 |
N1—C121—H12E | 108.3 | C222—C223—H22I | 108.8 |
C122—C121—H12E | 108.3 | H22H—C223—H22I | 107.7 |
H12D—C121—H12E | 107.4 | C223—C224—H22A | 109.5 |
C121—C122—C123 | 110.9 (4) | C223—C224—H22B | 109.5 |
C121—C122—H12F | 109.5 | H22A—C224—H22B | 109.5 |
C123—C122—H12F | 109.5 | C223—C224—H22C | 109.5 |
C121—C122—H12G | 109.5 | H22A—C224—H22C | 109.5 |
C123—C122—H12G | 109.5 | H22B—C224—H22C | 109.5 |
H12F—C122—H12G | 108.0 | C232—C231—N2 | 116.1 (4) |
C124—C123—C122 | 113.7 (4) | C232—C231—H23D | 108.3 |
C124—C123—H12H | 108.8 | N2—C231—H23D | 108.3 |
C122—C123—H12H | 108.8 | C232—C231—H23E | 108.3 |
C124—C123—H12I | 108.8 | N2—C231—H23E | 108.3 |
C122—C123—H12I | 108.8 | H23D—C231—H23E | 107.4 |
H12H—C123—H12I | 107.7 | C233—C232—C231 | 111.9 (4) |
C123—C124—H12A | 109.5 | C233—C232—H23F | 109.2 |
C123—C124—H12B | 109.5 | C231—C232—H23F | 109.2 |
H12A—C124—H12B | 109.5 | C233—C232—H23G | 109.2 |
C123—C124—H12C | 109.5 | C231—C232—H23G | 109.2 |
H12A—C124—H12C | 109.5 | H23F—C232—H23G | 107.9 |
H12B—C124—H12C | 109.5 | C234—C233—C232 | 114.4 (5) |
C132—C131—N1 | 116.0 (3) | C234—C233—H23H | 108.7 |
C132—C131—H13D | 108.3 | C232—C233—H23H | 108.7 |
N1—C131—H13D | 108.3 | C234—C233—H23I | 108.7 |
C132—C131—H13E | 108.3 | C232—C233—H23I | 108.7 |
N1—C131—H13E | 108.3 | H23H—C233—H23I | 107.6 |
H13D—C131—H13E | 107.4 | C233—C234—H23A | 109.5 |
C131—C132—C133 | 110.5 (4) | C233—C234—H23B | 109.5 |
C131—C132—H13F | 109.5 | H23A—C234—H23B | 109.5 |
C133—C132—H13F | 109.5 | C233—C234—H23C | 109.5 |
C131—C132—H13G | 109.5 | H23A—C234—H23C | 109.5 |
C133—C132—H13G | 109.5 | H23B—C234—H23C | 109.5 |
H13F—C132—H13G | 108.1 | N2—C241—C242 | 115.6 (4) |
C132—C133—C134 | 112.7 (4) | N2—C241—H24D | 108.4 |
C132—C133—H13H | 109.1 | C242—C241—H24D | 108.4 |
C134—C133—H13H | 109.1 | N2—C241—H24E | 108.4 |
C132—C133—H13I | 109.1 | C242—C241—H24E | 108.4 |
C134—C133—H13I | 109.1 | H24D—C241—H24E | 107.4 |
H13H—C133—H13I | 107.8 | C243—C242—C241 | 110.9 (4) |
C133—C134—H13A | 109.5 | C243—C242—H24F | 109.5 |
C133—C134—H13B | 109.5 | C241—C242—H24F | 109.5 |
H13A—C134—H13B | 109.5 | C243—C242—H24G | 109.5 |
C133—C134—H13C | 109.5 | C241—C242—H24G | 109.5 |
H13A—C134—H13C | 109.5 | H24F—C242—H24G | 108.1 |
H13B—C134—H13C | 109.5 | C244—C243—C242 | 115.3 (5) |
C142—C141—N1 | 116.6 (3) | C244—C243—H24H | 108.5 |
C142—C141—H14D | 108.2 | C242—C243—H24H | 108.5 |
N1—C141—H14D | 108.2 | C244—C243—H24I | 108.5 |
C142—C141—H14E | 108.2 | C242—C243—H24I | 108.5 |
N1—C141—H14E | 108.2 | H24H—C243—H24I | 107.5 |
H14D—C141—H14E | 107.3 | C243—C244—H24A | 109.5 |
C141—C142—C143 | 110.1 (4) | C243—C244—H24B | 109.5 |
C141—C142—H14F | 109.6 | H24A—C244—H24B | 109.5 |
C143—C142—H14F | 109.6 | C243—C244—H24C | 109.5 |
C141—C142—H14G | 109.6 | H24A—C244—H24C | 109.5 |
C143—C142—H14G | 109.6 | H24B—C244—H24C | 109.5 |
Br5—Pd2—Br3—Pd1 | −173.68 (2) | C131—C132—C133—C134 | 179.7 (4) |
Br6—Pd2—Br3—Pd1 | 5.2 (4) | C121—N1—C141—C142 | −178.5 (3) |
Br4—Pd2—Br3—Pd1 | 5.43 (2) | C111—N1—C141—C142 | 60.4 (4) |
Br1—Pd1—Br3—Pd2 | 177.43 (2) | C131—N1—C141—C142 | −57.2 (5) |
Br2—Pd1—Br3—Pd2 | 32.9 (4) | N1—C141—C142—C143 | 179.6 (3) |
Br4—Pd1—Br3—Pd2 | −5.42 (2) | C141—C142—C143—C144 | −178.4 (4) |
Br5—Pd2—Br4—Pd1 | 7.9 (4) | C231—N2—C211—C212 | −64.8 (5) |
Br6—Pd2—Br4—Pd1 | 174.53 (2) | C221—N2—C211—C212 | 55.0 (6) |
Br3—Pd2—Br4—Pd1 | −5.45 (2) | C241—N2—C211—C212 | 173.5 (4) |
Br1—Pd1—Br4—Pd2 | 46.1 (3) | N2—C211—C212—C213 | 176.9 (4) |
Br2—Pd1—Br4—Pd2 | −172.21 (3) | C211—C212—C213—C214 | 179.1 (6) |
Br3—Pd1—Br4—Pd2 | 5.42 (2) | C231—N2—C221—C222 | 176.7 (4) |
C121—N1—C111—C112 | −59.2 (5) | C241—N2—C221—C222 | −61.8 (5) |
C141—N1—C111—C112 | 58.4 (5) | C211—N2—C221—C222 | 56.0 (5) |
C131—N1—C111—C112 | 179.1 (4) | N2—C221—C222—C223 | −178.8 (4) |
N1—C111—C112—C113 | −176.3 (4) | C221—C222—C223—C224 | −174.4 (4) |
C111—C112—C113—C114 | 178.6 (5) | C221—N2—C231—C232 | 66.8 (5) |
C141—N1—C121—C122 | 178.7 (4) | C241—N2—C231—C232 | −52.5 (5) |
C111—N1—C121—C122 | −60.9 (5) | C211—N2—C231—C232 | −171.3 (4) |
C131—N1—C121—C122 | 57.6 (5) | N2—C231—C232—C233 | −173.8 (4) |
N1—C121—C122—C123 | −174.3 (4) | C231—C232—C233—C234 | −178.0 (5) |
C121—C122—C123—C124 | 71.1 (6) | C231—N2—C241—C242 | −54.3 (5) |
C121—N1—C131—C132 | 56.9 (4) | C221—N2—C241—C242 | −173.5 (4) |
C141—N1—C131—C132 | −61.0 (4) | C211—N2—C241—C242 | 65.9 (5) |
C111—N1—C131—C132 | 178.7 (4) | N2—C241—C242—C243 | −176.9 (4) |
N1—C131—C132—C133 | 173.1 (3) | C241—C242—C243—C244 | −66.9 (7) |