Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S2053229617016412/ov3101sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S2053229617016412/ov3101Isup2.hkl | |
Chemdraw file https://doi.org/10.1107/S2053229617016412/ov3101Isup3.cdx |
CCDC reference: 1573887
Data collection: APEX3 (Bruker, 2015); cell refinement: SAINT (Bruker, 2014); data reduction: SAINT (Bruker, 2014); program(s) used to solve structure: SHELXT (Sheldrick, 2015a); program(s) used to refine structure: SHELXL2014 (Sheldrick, 2015b) and shelXle (Hübschle et al., 2011); molecular graphics: Mercury (Macrae et al., 2008); software used to prepare material for publication: PLATON (Spek, 2009), enCIFer (Allen et al., 2004) and publCIF (Westrip, 2010).
[Pd2Br2(C22H24N2)2](I5)2·CH2Cl2 | Z = 1 |
Mr = 2359.39 | F(000) = 1074 |
Triclinic, P1 | Dx = 2.555 Mg m−3 |
Hall symbol: -P 1 | Mo Kα radiation, λ = 0.71073 Å |
a = 9.1277 (10) Å | Cell parameters from 9279 reflections |
b = 13.5001 (16) Å | θ = 2.4–28.3° |
c = 14.6344 (17) Å | µ = 7.05 mm−1 |
α = 113.316 (3)° | T = 100 K |
β = 103.239 (3)° | Fragment, red-black |
γ = 100.711 (3)° | 0.30 × 0.23 × 0.11 mm |
V = 1533.0 (3) Å3 |
Bruker Photon CMOS diffractometer | 7307 independent reflections |
Radiation source: IMS microsource | 6600 reflections with I > 2σ(I) |
Helios optic monochromator | Rint = 0.032 |
Detector resolution: 16 pixels mm-1 | θmax = 27.9°, θmin = 2.4° |
phi– and ω–rotation scans | h = −12→12 |
Absorption correction: multi-scan (SADABS2014; Bruker, 2014) | k = −17→17 |
Tmin = 0.508, Tmax = 0.746 | l = −19→19 |
52411 measured reflections |
Refinement on F2 | 0 restraints |
Least-squares matrix: full | Hydrogen site location: inferred from neighbouring sites |
R[F2 > 2σ(F2)] = 0.023 | H-atom parameters constrained |
wR(F2) = 0.051 | w = 1/[σ2(Fo2) + (0.0125P)2 + 5.9696P] where P = (Fo2 + 2Fc2)/3 |
S = 1.07 | (Δ/σ)max = 0.001 |
7307 reflections | Δρmax = 2.73 e Å−3 |
284 parameters | Δρmin = −1.50 e Å−3 |
Experimental. Diffractometer operator C. Jandl, scanspeed 5 s per frame, dx 50 mm, 2914 frames measured in 12 data sets, phi-scans with delta_phi = 0.5, omega-scans with delta_omega = 0.5, shutterless mode |
Geometry. Bond distances, angles etc. have been calculated using the rounded fractional coordinates. All su's are estimated from the variances of the (full) variance-covariance matrix. The cell esds are taken into account in the estimation of distances, angles and torsion angles |
Refinement. Refinement on F2 for ALL reflections except those flagged by the user for potential systematic errors. Weighted R-factors wR and all goodnesses of fit S are based on F2, conventional R-factors R are based on F, with F set to zero for negative F2. The observed criterion of F2 > 2sigma(F2) is used only for calculating -R-factor-obs 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 | ||
I1 | 0.44928 (4) | 0.25761 (2) | −0.06905 (2) | 0.0395 (1) | |
I2 | 0.60969 (3) | 0.44761 (2) | 0.12738 (2) | 0.0206 (1) | |
I3 | 0.78107 (3) | 0.65254 (2) | 0.34424 (2) | 0.0258 (1) | |
I4 | 1.01616 (3) | 0.77990 (2) | 0.28338 (2) | 0.0172 (1) | |
I5 | 1.24828 (3) | 0.88864 (2) | 0.22710 (2) | 0.0301 (1) | |
Pd1 | 0.11011 (3) | 0.55326 (2) | 0.42718 (2) | 0.0090 (1) | |
Br1 | −0.10563 (4) | 0.38340 (3) | 0.38730 (2) | 0.0147 (1) | |
N1 | 0.3288 (3) | 0.6709 (2) | 0.3662 (2) | 0.0100 (7) | |
N2 | 0.3908 (3) | 0.7745 (2) | 0.5334 (2) | 0.0109 (7) | |
C1 | 0.1140 (4) | 0.5052 (3) | 0.2793 (2) | 0.0114 (8) | |
C2 | 0.0006 (4) | 0.4089 (3) | 0.1942 (3) | 0.0174 (9) | |
C3 | −0.0183 (4) | 0.3600 (3) | 0.0868 (3) | 0.0245 (10) | |
C4 | 0.0744 (5) | 0.3922 (3) | 0.0347 (3) | 0.0243 (11) | |
C5 | 0.2056 (4) | 0.4854 (3) | 0.0771 (3) | 0.0220 (10) | |
C6 | 0.2776 (4) | 0.5693 (3) | 0.1810 (3) | 0.0179 (10) | |
C7 | 0.2362 (4) | 0.5775 (3) | 0.2690 (2) | 0.0117 (8) | |
C8 | 0.2889 (4) | 0.6775 (2) | 0.4529 (2) | 0.0104 (8) | |
C9 | 0.4543 (4) | 0.7658 (3) | 0.3941 (3) | 0.0153 (9) | |
C10 | 0.4934 (4) | 0.8298 (3) | 0.4986 (3) | 0.0157 (9) | |
C11 | 0.4024 (4) | 0.8159 (2) | 0.6438 (2) | 0.0116 (8) | |
C12 | 0.5089 (4) | 0.7873 (3) | 0.7060 (3) | 0.0150 (9) | |
C13 | 0.5148 (4) | 0.8252 (3) | 0.8111 (3) | 0.0193 (10) | |
C14 | 0.4203 (4) | 0.8890 (3) | 0.8500 (3) | 0.0206 (9) | |
C15 | 0.3177 (4) | 0.9171 (3) | 0.7849 (3) | 0.0182 (9) | |
C16 | 0.3048 (4) | 0.8798 (3) | 0.6789 (3) | 0.0134 (8) | |
C17 | 0.6100 (4) | 0.7153 (3) | 0.6635 (3) | 0.0210 (11) | |
C18 | 0.7813 (5) | 0.7642 (4) | 0.7382 (4) | 0.0347 (14) | |
C19 | 0.5403 (5) | 0.5932 (3) | 0.6415 (3) | 0.0266 (11) | |
C20 | 0.1888 (4) | 0.9061 (3) | 0.6058 (3) | 0.0162 (9) | |
C21 | 0.2672 (5) | 1.0178 (3) | 0.6075 (3) | 0.0237 (11) | |
C22 | 0.0363 (4) | 0.9086 (3) | 0.6307 (3) | 0.0261 (11) | |
H2 | −0.07670 | 0.37000 | 0.21240 | 0.0210* | |
H3 | −0.10840 | 0.29490 | 0.04310 | 0.0290* | |
H4 | 0.04380 | 0.34430 | −0.03900 | 0.0290* | |
H5 | 0.25410 | 0.49360 | 0.02850 | 0.0260* | |
H6 | 0.36620 | 0.62860 | 0.19360 | 0.0220* | |
H9 | 0.50250 | 0.78200 | 0.34840 | 0.0180* | |
H10 | 0.57570 | 0.89980 | 0.54120 | 0.0190* | |
H13 | 0.58470 | 0.80700 | 0.85640 | 0.0230* | |
H14 | 0.42560 | 0.91370 | 0.92150 | 0.0250* | |
H15 | 0.25550 | 0.96240 | 0.81310 | 0.0220* | |
H17 | 0.61060 | 0.71460 | 0.59500 | 0.0250* | |
H18A | 0.84560 | 0.72100 | 0.70430 | 0.0520* | |
H18B | 0.78520 | 0.75910 | 0.80360 | 0.0520* | |
H18C | 0.82310 | 0.84380 | 0.75450 | 0.0520* | |
H19A | 0.42990 | 0.56340 | 0.59480 | 0.0400* | |
H19B | 0.54470 | 0.59090 | 0.70820 | 0.0400* | |
H19C | 0.60130 | 0.54680 | 0.60750 | 0.0400* | |
H20 | 0.16020 | 0.84430 | 0.53240 | 0.0190* | |
H21A | 0.36280 | 1.01340 | 0.58840 | 0.0350* | |
H21B | 0.29580 | 1.08030 | 0.67850 | 0.0350* | |
H21C | 0.19320 | 1.03100 | 0.55680 | 0.0350* | |
H22A | −0.03910 | 0.91600 | 0.57600 | 0.0390* | |
H22B | 0.05900 | 0.97330 | 0.69950 | 0.0390* | |
H22C | −0.00940 | 0.83810 | 0.63270 | 0.0390* |
U11 | U22 | U33 | U12 | U13 | U23 | |
I1 | 0.0519 (2) | 0.0320 (1) | 0.0260 (1) | 0.0014 (1) | 0.0128 (1) | 0.0103 (1) |
I2 | 0.0217 (1) | 0.0253 (1) | 0.0241 (1) | 0.0102 (1) | 0.0132 (1) | 0.0158 (1) |
I3 | 0.0282 (1) | 0.0254 (1) | 0.0270 (1) | 0.0111 (1) | 0.0116 (1) | 0.0125 (1) |
I4 | 0.0208 (1) | 0.0156 (1) | 0.0129 (1) | 0.0091 (1) | 0.0021 (1) | 0.0047 (1) |
I5 | 0.0271 (1) | 0.0315 (1) | 0.0237 (1) | −0.0003 (1) | 0.0020 (1) | 0.0128 (1) |
Pd1 | 0.0120 (1) | 0.0078 (1) | 0.0084 (1) | 0.0023 (1) | 0.0055 (1) | 0.0041 (1) |
Br1 | 0.0206 (2) | 0.0097 (1) | 0.0094 (1) | −0.0020 (1) | 0.0071 (1) | 0.0020 (1) |
N1 | 0.0117 (12) | 0.0112 (12) | 0.0104 (12) | 0.0043 (10) | 0.0061 (10) | 0.0064 (10) |
N2 | 0.0118 (12) | 0.0108 (12) | 0.0129 (13) | 0.0017 (10) | 0.0052 (10) | 0.0084 (10) |
C1 | 0.0142 (15) | 0.0133 (14) | 0.0115 (14) | 0.0081 (12) | 0.0058 (12) | 0.0078 (12) |
C2 | 0.0169 (16) | 0.0214 (16) | 0.0135 (16) | 0.0033 (13) | 0.0044 (13) | 0.0091 (13) |
C3 | 0.0237 (19) | 0.0264 (19) | 0.0129 (16) | 0.0010 (15) | 0.0024 (14) | 0.0041 (14) |
C4 | 0.029 (2) | 0.032 (2) | 0.0109 (16) | 0.0116 (16) | 0.0075 (14) | 0.0076 (15) |
C5 | 0.0272 (19) | 0.0322 (19) | 0.0147 (16) | 0.0130 (16) | 0.0128 (15) | 0.0138 (15) |
C6 | 0.0208 (17) | 0.0222 (17) | 0.0180 (17) | 0.0087 (14) | 0.0123 (14) | 0.0120 (14) |
C7 | 0.0122 (14) | 0.0144 (14) | 0.0125 (14) | 0.0078 (12) | 0.0058 (12) | 0.0075 (12) |
C8 | 0.0124 (14) | 0.0105 (14) | 0.0134 (14) | 0.0063 (11) | 0.0063 (12) | 0.0081 (12) |
C9 | 0.0175 (16) | 0.0150 (15) | 0.0191 (16) | 0.0035 (12) | 0.0100 (13) | 0.0118 (13) |
C10 | 0.0161 (16) | 0.0135 (15) | 0.0190 (16) | 0.0021 (12) | 0.0079 (13) | 0.0089 (13) |
C11 | 0.0141 (15) | 0.0077 (13) | 0.0099 (14) | −0.0009 (11) | 0.0034 (12) | 0.0033 (11) |
C12 | 0.0143 (15) | 0.0152 (15) | 0.0158 (16) | 0.0022 (12) | 0.0037 (13) | 0.0093 (13) |
C13 | 0.0191 (17) | 0.0224 (17) | 0.0140 (16) | 0.0027 (14) | 0.0015 (13) | 0.0099 (14) |
C14 | 0.0249 (18) | 0.0183 (16) | 0.0100 (15) | −0.0010 (14) | 0.0039 (14) | 0.0028 (13) |
C15 | 0.0243 (18) | 0.0116 (14) | 0.0165 (16) | 0.0048 (13) | 0.0094 (14) | 0.0033 (13) |
C16 | 0.0155 (15) | 0.0074 (13) | 0.0137 (15) | −0.0003 (11) | 0.0032 (12) | 0.0040 (12) |
C17 | 0.0241 (18) | 0.0295 (19) | 0.0226 (18) | 0.0157 (15) | 0.0126 (15) | 0.0186 (16) |
C18 | 0.021 (2) | 0.036 (2) | 0.052 (3) | 0.0127 (17) | 0.0126 (19) | 0.023 (2) |
C19 | 0.029 (2) | 0.0251 (19) | 0.029 (2) | 0.0134 (16) | 0.0139 (17) | 0.0112 (16) |
C20 | 0.0179 (16) | 0.0103 (14) | 0.0200 (17) | 0.0045 (12) | 0.0062 (13) | 0.0065 (13) |
C21 | 0.0256 (19) | 0.0215 (17) | 0.031 (2) | 0.0079 (15) | 0.0095 (16) | 0.0185 (16) |
C22 | 0.0229 (19) | 0.0251 (19) | 0.038 (2) | 0.0108 (15) | 0.0123 (17) | 0.0191 (17) |
I1—I2 | 2.7975 (5) | C16—C20 | 1.521 (6) |
I2—I3 | 3.0561 (5) | C17—C18 | 1.529 (6) |
I3—I4 | 3.0117 (5) | C17—C19 | 1.524 (6) |
I4—I5 | 2.8147 (5) | C20—C22 | 1.520 (5) |
Pd1—Br1 | 2.4925 (6) | C20—C21 | 1.532 (6) |
Pd1—C1 | 2.010 (3) | C2—H2 | 0.9500 |
Pd1—C8 | 1.954 (3) | C3—H3 | 0.9500 |
Pd1—Br1i | 2.5160 (5) | C4—H4 | 0.9500 |
N1—C8 | 1.373 (4) | C5—H5 | 0.9500 |
N1—C9 | 1.395 (5) | C6—H6 | 0.9500 |
N1—C7 | 1.400 (4) | C9—H9 | 0.9500 |
N2—C8 | 1.339 (4) | C10—H10 | 0.9500 |
N2—C10 | 1.398 (5) | C13—H13 | 0.9500 |
N2—C11 | 1.456 (4) | C14—H14 | 0.9500 |
C1—C7 | 1.417 (6) | C15—H15 | 0.9500 |
C1—C2 | 1.393 (5) | C17—H17 | 1.0000 |
C2—C3 | 1.396 (5) | C18—H18C | 0.9800 |
C3—C4 | 1.381 (6) | C18—H18A | 0.9800 |
C4—C5 | 1.373 (6) | C18—H18B | 0.9800 |
C5—C6 | 1.389 (5) | C19—H19B | 0.9800 |
C6—C7 | 1.393 (5) | C19—H19C | 0.9800 |
C9—C10 | 1.342 (5) | C19—H19A | 0.9800 |
C11—C12 | 1.391 (5) | C20—H20 | 1.0000 |
C11—C16 | 1.395 (5) | C21—H21A | 0.9800 |
C12—C17 | 1.517 (6) | C21—H21B | 0.9800 |
C12—C13 | 1.400 (5) | C21—H21C | 0.9800 |
C13—C14 | 1.387 (6) | C22—H22B | 0.9800 |
C14—C15 | 1.392 (6) | C22—H22C | 0.9800 |
C15—C16 | 1.396 (5) | C22—H22A | 0.9800 |
I1—I2—I3 | 178.729 (12) | C1—C2—H2 | 115.00 |
I2—I3—I4 | 97.863 (13) | C3—C2—H2 | 115.00 |
I3—I4—I5 | 176.004 (11) | C2—C3—H3 | 115.00 |
Br1—Pd1—C1 | 97.19 (11) | C4—C3—H3 | 115.00 |
Br1—Pd1—C8 | 175.06 (10) | C5—C4—H4 | 116.00 |
Br1—Pd1—Br1i | 83.488 (13) | C3—C4—H4 | 116.00 |
Br1i—Pd1—C8 | 99.34 (8) | C4—C5—H5 | 115.00 |
Br1i—Pd1—C1 | 179.08 (12) | C6—C5—H5 | 115.00 |
C1—Pd1—C8 | 80.03 (14) | C5—C6—H6 | 116.00 |
Pd1—Br1—Pd1i | 96.513 (13) | C7—C6—H6 | 116.00 |
C7—N1—C9 | 132.4 (3) | N1—C9—H9 | 127.00 |
C7—N1—C8 | 116.9 (3) | C10—C9—H9 | 127.00 |
C8—N1—C9 | 110.6 (3) | N2—C10—H10 | 126.00 |
C8—N2—C10 | 110.8 (3) | C9—C10—H10 | 126.00 |
C8—N2—C11 | 125.8 (3) | C14—C13—H13 | 120.00 |
C10—N2—C11 | 123.3 (3) | C12—C13—H13 | 119.00 |
C2—C1—C7 | 123.6 (3) | C13—C14—H14 | 120.00 |
Pd1—C1—C2 | 121.2 (3) | C15—C14—H14 | 120.00 |
Pd1—C1—C7 | 115.2 (2) | C14—C15—H15 | 119.00 |
C1—C2—C3 | 130.8 (4) | C16—C15—H15 | 120.00 |
C2—C3—C4 | 129.6 (4) | C18—C17—H17 | 108.00 |
C3—C4—C5 | 127.5 (4) | C19—C17—H17 | 108.00 |
C4—C5—C6 | 129.2 (4) | C12—C17—H17 | 108.00 |
C5—C6—C7 | 128.2 (4) | C17—C18—H18B | 110.00 |
C1—C7—C6 | 131.0 (3) | H18A—C18—H18C | 109.00 |
N1—C7—C6 | 117.2 (3) | C17—C18—H18C | 109.00 |
N1—C7—C1 | 111.8 (3) | H18A—C18—H18B | 109.00 |
Pd1—C8—N1 | 116.1 (2) | C17—C18—H18A | 109.00 |
Pd1—C8—N2 | 139.0 (2) | H18B—C18—H18C | 110.00 |
N1—C8—N2 | 105.0 (3) | C17—C19—H19C | 110.00 |
N1—C9—C10 | 106.2 (3) | H19A—C19—H19C | 110.00 |
N2—C10—C9 | 107.5 (3) | H19B—C19—H19C | 109.00 |
N2—C11—C16 | 117.7 (3) | H19A—C19—H19B | 109.00 |
N2—C11—C12 | 117.3 (3) | C17—C19—H19A | 109.00 |
C12—C11—C16 | 125.0 (3) | C17—C19—H19B | 109.00 |
C11—C12—C13 | 116.3 (3) | C22—C20—H20 | 107.00 |
C11—C12—C17 | 123.0 (3) | C16—C20—H20 | 107.00 |
C13—C12—C17 | 120.6 (4) | C21—C20—H20 | 108.00 |
C12—C13—C14 | 121.0 (4) | C20—C21—H21B | 109.00 |
C13—C14—C15 | 120.4 (4) | H21A—C21—H21C | 110.00 |
C14—C15—C16 | 121.0 (4) | C20—C21—H21C | 109.00 |
C15—C16—C20 | 121.6 (4) | H21A—C21—H21B | 109.00 |
C11—C16—C20 | 122.1 (3) | C20—C21—H21A | 109.00 |
C11—C16—C15 | 116.3 (3) | H21B—C21—H21C | 109.00 |
C12—C17—C18 | 111.9 (3) | C20—C22—H22C | 109.00 |
C12—C17—C19 | 111.1 (3) | H22A—C22—H22C | 109.00 |
C18—C17—C19 | 110.2 (4) | H22B—C22—H22C | 109.00 |
C21—C20—C22 | 110.6 (4) | H22A—C22—H22B | 109.00 |
C16—C20—C21 | 110.5 (3) | C20—C22—H22A | 110.00 |
C16—C20—C22 | 113.0 (3) | C20—C22—H22B | 109.00 |
C1—Pd1—Br1—Pd1i | −179.38 (11) | Pd1—C1—C7—N1 | −1.3 (4) |
Br1i—Pd1—Br1—Pd1i | 0.00 (4) | Pd1—C1—C7—C6 | 177.8 (4) |
Br1—Pd1—C1—C2 | 7.2 (3) | C2—C1—C7—N1 | 177.1 (4) |
Br1—Pd1—C1—C7 | −174.4 (3) | C2—C1—C7—C6 | −3.9 (7) |
C8—Pd1—C1—C2 | −177.0 (4) | C1—C2—C3—C4 | 2.2 (8) |
C8—Pd1—C1—C7 | 1.5 (3) | C2—C3—C4—C5 | −3.6 (8) |
C1—Pd1—C8—N1 | −1.3 (3) | C3—C4—C5—C6 | 0.2 (8) |
C1—Pd1—C8—N2 | 177.5 (4) | C4—C5—C6—C7 | 2.1 (8) |
Br1i—Pd1—C8—N1 | 179.4 (2) | C5—C6—C7—N1 | 179.7 (4) |
Br1i—Pd1—C8—N2 | −1.8 (4) | C5—C6—C7—C1 | 0.7 (8) |
Br1—Pd1—Br1i—Pd1i | 0.00 (4) | N1—C9—C10—N2 | −0.7 (4) |
C8—Pd1—Br1i—Pd1i | −175.91 (10) | N2—C11—C12—C13 | −178.2 (3) |
C8—N1—C7—C1 | 0.2 (5) | N2—C11—C12—C17 | −0.5 (5) |
C8—N1—C7—C6 | −179.0 (3) | C16—C11—C12—C13 | 0.9 (6) |
C9—N1—C7—C1 | −176.1 (4) | C16—C11—C12—C17 | 178.6 (4) |
C9—N1—C7—C6 | 4.7 (6) | N2—C11—C16—C15 | 179.3 (3) |
C7—N1—C8—Pd1 | 1.0 (4) | N2—C11—C16—C20 | 0.2 (5) |
C7—N1—C8—N2 | −178.2 (3) | C12—C11—C16—C15 | 0.2 (6) |
C9—N1—C8—Pd1 | 178.1 (2) | C12—C11—C16—C20 | −178.9 (4) |
C9—N1—C8—N2 | −1.1 (4) | C11—C12—C13—C14 | −0.9 (6) |
C7—N1—C9—C10 | 177.6 (4) | C17—C12—C13—C14 | −178.6 (4) |
C8—N1—C9—C10 | 1.1 (4) | C11—C12—C17—C18 | 135.5 (4) |
C10—N2—C8—Pd1 | −178.3 (3) | C11—C12—C17—C19 | −100.8 (4) |
C10—N2—C8—N1 | 0.6 (4) | C13—C12—C17—C18 | −46.9 (6) |
C11—N2—C8—Pd1 | 5.1 (6) | C13—C12—C17—C19 | 76.8 (5) |
C11—N2—C8—N1 | −176.1 (3) | C12—C13—C14—C15 | −0.3 (6) |
C8—N2—C10—C9 | 0.1 (4) | C13—C14—C15—C16 | 1.5 (6) |
C11—N2—C10—C9 | 176.8 (3) | C14—C15—C16—C11 | −1.4 (6) |
C8—N2—C11—C12 | 92.3 (4) | C14—C15—C16—C20 | 177.7 (4) |
C8—N2—C11—C16 | −86.9 (4) | C11—C16—C20—C21 | −90.6 (5) |
C10—N2—C11—C12 | −84.0 (4) | C11—C16—C20—C22 | 144.8 (4) |
C10—N2—C11—C16 | 96.9 (4) | C15—C16—C20—C21 | 90.3 (5) |
Pd1—C1—C2—C3 | −179.4 (4) | C15—C16—C20—C22 | −34.3 (6) |
C7—C1—C2—C3 | 2.4 (7) |
Symmetry code: (i) −x, −y+1, −z+1. |
D—H···A | D—H | H···A | D···A | D—H···A |
C2—H2···Br1 | 0.95 | 2.57 | 3.308 (4) | 135 |
C17—H17···N2 | 1.00 | 2.42 | 2.885 (5) | 108 |
C20—H20···N2 | 1.00 | 2.46 | 2.881 (5) | 105 |
C4—H4···I4ii | 0.95 | 3.15 | 4.088 (4) | 170 |
C5—H5···I2ii | 0.95 | 3.12 | 4.062 (5) | 171 |
Symmetry code: (ii) −x+1, −y+1, −z. |