Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536806045119/sj2150sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S1600536806045119/sj2150Isup2.hkl |
CCDC reference: 630469
Key indicators
- Single-crystal X-ray study
- T = 100 K
- Mean (C-C) = 0.004 Å
- R factor = 0.036
- wR factor = 0.076
- Data-to-parameter ratio = 22.5
checkCIF/PLATON results
No syntax errors found
Alert level C PLAT142_ALERT_4_C su on b - Axis Small or Missing (x 100000) ..... 20 Ang. PLAT720_ALERT_4_C Number of Unusual/Non-Standard Label(s) ........ 36
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 2 ALERT level C = Check and explain 0 ALERT level G = General alerts; check 0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 0 ALERT type 2 Indicator that the structure model may be wrong or deficient 0 ALERT type 3 Indicator that the structure quality may be low 2 ALERT type 4 Improvement, methodology, query or suggestion 0 ALERT type 5 Informative message, check
Data collection: APEX2 (Bruker, 2005); cell refinement: APEX2; data reduction: SAINT (Bruker, 2005); program(s) used to solve structure: SHELXTL (Sheldrick, 1998); program(s) used to refine structure: SHELXTL; molecular graphics: SHELXTL; software used to prepare material for publication: SHELXTL and PLATON (Spek, 2003).
[Pd(C9H12N)Cl(C7H10N2)] | F(000) = 2424 |
Mr = 398.24 | Dx = 1.616 Mg m−3 |
Monoclinic, P21/n | Mo Kα radiation, λ = 0.71073 Å |
Hall symbol: -P 2yn | Cell parameters from 10570 reflections |
a = 15.3217 (2) Å | θ = 1.5–29.0° |
b = 20.5634 (2) Å | µ = 1.29 mm−1 |
c = 17.1800 (2) Å | T = 100 K |
β = 114.907 (1)° | Block, colourless |
V = 4909.4 (1) Å3 | 0.25 × 0.16 × 0.07 mm |
Z = 12 |
Bruker SMART APEXII CCD area-detector diffractometer | 13045 independent reflections |
Radiation source: fine-focus sealed tube | 10570 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.072 |
Detector resolution: 8.33 pixels mm-1 | θmax = 29.0°, θmin = 1.5° |
ω scans | h = −20→20 |
Absorption correction: multi-scan (SADABS; Bruker, 2005) | k = −28→28 |
Tmin = 0.737, Tmax = 0.918 | l = −23→23 |
100404 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)] = 0.036 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.076 | H-atom parameters constrained |
S = 1.05 | w = 1/[σ2(Fo2) + (0.018P)2 + 9.9822P] where P = (Fo2 + 2Fc2)/3 |
13045 reflections | (Δ/σ)max = 0.001 |
580 parameters | Δρmax = 1.28 e Å−3 |
0 restraints | Δρmin = −0.90 e Å−3 |
Experimental. The low-temperature data was collected with the Oxford Cyrosystem Cobra low-temperature attachment. |
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 | ||
Pd1A | 0.190643 (17) | 0.716937 (10) | 0.682258 (14) | 0.01365 (5) | |
Cl1A | 0.27150 (6) | 0.61631 (3) | 0.75125 (5) | 0.01913 (15) | |
N1A | 0.28729 (18) | 0.77418 (12) | 0.78040 (16) | 0.0156 (5) | |
N2A | 0.09257 (18) | 0.66646 (11) | 0.58174 (15) | 0.0145 (5) | |
N3A | −0.09539 (18) | 0.54035 (11) | 0.39496 (16) | 0.0153 (5) | |
C1A | 0.1373 (2) | 0.80227 (14) | 0.6299 (2) | 0.0165 (6) | |
C2A | 0.1770 (2) | 0.85517 (15) | 0.6858 (2) | 0.0181 (6) | |
C3A | 0.1528 (2) | 0.91912 (15) | 0.6577 (2) | 0.0225 (7) | |
H3AA | 0.1823 | 0.9536 | 0.6945 | 0.027* | |
C4A | 0.0848 (3) | 0.93120 (16) | 0.5751 (2) | 0.0263 (8) | |
H4AA | 0.0670 | 0.9737 | 0.5567 | 0.032* | |
C5A | 0.0435 (3) | 0.87982 (16) | 0.5199 (2) | 0.0251 (7) | |
H5AA | −0.0022 | 0.8879 | 0.4643 | 0.030* | |
C6A | 0.0697 (2) | 0.81612 (15) | 0.5467 (2) | 0.0198 (6) | |
H6AA | 0.0417 | 0.7821 | 0.5086 | 0.024* | |
C7A | 0.2399 (2) | 0.83852 (14) | 0.7767 (2) | 0.0185 (6) | |
H7AA | 0.2017 | 0.8365 | 0.8095 | 0.022* | |
H7AB | 0.2885 | 0.8719 | 0.8016 | 0.022* | |
C8A | 0.3203 (3) | 0.74785 (16) | 0.8687 (2) | 0.0255 (7) | |
H8AA | 0.3615 | 0.7790 | 0.9091 | 0.038* | |
H8AB | 0.3553 | 0.7082 | 0.8734 | 0.038* | |
H8AC | 0.2656 | 0.7393 | 0.8807 | 0.038* | |
C9A | 0.3717 (2) | 0.78229 (15) | 0.7601 (2) | 0.0205 (6) | |
H9AA | 0.4198 | 0.8079 | 0.8041 | 0.031* | |
H9AB | 0.3521 | 0.8039 | 0.7058 | 0.031* | |
H9AC | 0.3978 | 0.7404 | 0.7574 | 0.031* | |
C10A | 0.0170 (2) | 0.63866 (14) | 0.58954 (19) | 0.0159 (6) | |
H10A | 0.0085 | 0.6471 | 0.6391 | 0.019* | |
C11A | −0.0482 (2) | 0.59853 (13) | 0.52875 (19) | 0.0150 (6) | |
H11A | −0.1003 | 0.5819 | 0.5368 | 0.018* | |
C12A | −0.0359 (2) | 0.58255 (13) | 0.45379 (19) | 0.0139 (6) | |
C13A | 0.0414 (2) | 0.61389 (13) | 0.44456 (19) | 0.0148 (6) | |
H13A | 0.0516 | 0.6070 | 0.3955 | 0.018* | |
C14A | 0.1015 (2) | 0.65462 (14) | 0.50812 (19) | 0.0159 (6) | |
H14A | 0.1511 | 0.6751 | 0.4999 | 0.019* | |
C15A | −0.1774 (2) | 0.51245 (14) | 0.4057 (2) | 0.0186 (6) | |
H15A | −0.1551 | 0.4911 | 0.4603 | 0.028* | |
H15B | −0.2093 | 0.4815 | 0.3608 | 0.028* | |
H15C | −0.2215 | 0.5464 | 0.4029 | 0.028* | |
C16A | −0.0801 (2) | 0.52285 (15) | 0.3193 (2) | 0.0201 (7) | |
H16A | −0.0146 | 0.5093 | 0.3367 | 0.030* | |
H16B | −0.0931 | 0.5598 | 0.2820 | 0.030* | |
H16C | −0.1225 | 0.4879 | 0.2895 | 0.030* | |
Pd1B | 0.066604 (17) | 0.279882 (11) | 0.243404 (14) | 0.01449 (5) | |
Cl1B | −0.03499 (6) | 0.19058 (4) | 0.16373 (5) | 0.02557 (17) | |
N1B | 0.16109 (19) | 0.22226 (12) | 0.34263 (16) | 0.0170 (5) | |
N2B | −0.02102 (19) | 0.34143 (12) | 0.15216 (16) | 0.0180 (5) | |
N3B | −0.2042 (2) | 0.46501 (13) | −0.04101 (18) | 0.0238 (6) | |
C1B | 0.1476 (2) | 0.35190 (14) | 0.31482 (19) | 0.0155 (6) | |
C2B | 0.2297 (2) | 0.33139 (15) | 0.3864 (2) | 0.0181 (6) | |
C3B | 0.2905 (2) | 0.37473 (16) | 0.4476 (2) | 0.0214 (7) | |
H3BA | 0.3426 | 0.3597 | 0.4959 | 0.026* | |
C4B | 0.2714 (3) | 0.44112 (16) | 0.4349 (2) | 0.0252 (7) | |
H4BA | 0.3113 | 0.4707 | 0.4750 | 0.030* | |
C5B | 0.1939 (3) | 0.46318 (15) | 0.3633 (2) | 0.0231 (7) | |
H5BA | 0.1829 | 0.5076 | 0.3543 | 0.028* | |
C6B | 0.1316 (2) | 0.41879 (14) | 0.3039 (2) | 0.0183 (6) | |
H6BA | 0.0786 | 0.4342 | 0.2565 | 0.022* | |
C7B | 0.2523 (2) | 0.25946 (15) | 0.3902 (2) | 0.0226 (7) | |
H7BA | 0.2969 | 0.2514 | 0.3646 | 0.027* | |
H7BB | 0.2823 | 0.2452 | 0.4495 | 0.027* | |
C8B | 0.1851 (3) | 0.15952 (15) | 0.3133 (2) | 0.0260 (7) | |
H8BA | 0.2318 | 0.1366 | 0.3616 | 0.039* | |
H8BB | 0.2111 | 0.1678 | 0.2723 | 0.039* | |
H8BC | 0.1279 | 0.1336 | 0.2871 | 0.039* | |
C9B | 0.1142 (3) | 0.20872 (15) | 0.4005 (2) | 0.0225 (7) | |
H9BA | 0.1552 | 0.1814 | 0.4468 | 0.034* | |
H9BB | 0.0540 | 0.1871 | 0.3691 | 0.034* | |
H9BC | 0.1030 | 0.2489 | 0.4233 | 0.034* | |
C10B | 0.0005 (2) | 0.36192 (15) | 0.0876 (2) | 0.0209 (7) | |
H10B | 0.0580 | 0.3480 | 0.0871 | 0.025* | |
C11B | −0.0577 (2) | 0.40217 (15) | 0.0228 (2) | 0.0224 (7) | |
H11B | −0.0395 | 0.4145 | −0.0203 | 0.027* | |
C12B | −0.1454 (2) | 0.42482 (14) | 0.0217 (2) | 0.0180 (6) | |
C13B | −0.1678 (2) | 0.40287 (15) | 0.0891 (2) | 0.0201 (7) | |
H13B | −0.2247 | 0.4158 | 0.0916 | 0.024* | |
C14B | −0.1048 (2) | 0.36228 (15) | 0.1510 (2) | 0.0188 (6) | |
H14B | −0.1212 | 0.3484 | 0.1946 | 0.023* | |
C15B | −0.1751 (3) | 0.48966 (17) | −0.1061 (2) | 0.0307 (8) | |
H15D | −0.1127 | 0.5094 | −0.0787 | 0.046* | |
H15E | −0.2209 | 0.5214 | −0.1408 | 0.046* | |
H15F | −0.1726 | 0.4544 | −0.1417 | 0.046* | |
C16B | −0.2975 (3) | 0.48400 (16) | −0.0444 (2) | 0.0304 (8) | |
H16D | −0.3338 | 0.4458 | −0.0452 | 0.046* | |
H16E | −0.3320 | 0.5090 | −0.0954 | 0.046* | |
H16F | −0.2881 | 0.5097 | 0.0051 | 0.046* | |
Pd1C | 0.218745 (17) | 0.231212 (10) | 0.073454 (14) | 0.01361 (5) | |
Cl1C | 0.30821 (6) | 0.14343 (4) | 0.16581 (5) | 0.02005 (15) | |
N1C | 0.11053 (19) | 0.17102 (12) | −0.01014 (16) | 0.0165 (5) | |
N2C | 0.31162 (18) | 0.29897 (12) | 0.15135 (16) | 0.0152 (5) | |
N3C | 0.4618 (2) | 0.46578 (12) | 0.27831 (17) | 0.0187 (6) | |
C1C | 0.1459 (2) | 0.29885 (15) | −0.01337 (19) | 0.0178 (6) | |
C2C | 0.0544 (2) | 0.27815 (14) | −0.07051 (19) | 0.0166 (6) | |
C3C | −0.0044 (2) | 0.31733 (15) | −0.1383 (2) | 0.0187 (6) | |
H3CA | −0.0647 | 0.3026 | −0.1764 | 0.022* | |
C4C | 0.0273 (2) | 0.37860 (15) | −0.1488 (2) | 0.0215 (7) | |
H4CA | −0.0123 | 0.4055 | −0.1932 | 0.026* | |
C5C | 0.1186 (3) | 0.39952 (15) | −0.0926 (2) | 0.0218 (7) | |
H5CA | 0.1403 | 0.4404 | −0.0997 | 0.026* | |
C6C | 0.1777 (2) | 0.35932 (15) | −0.0256 (2) | 0.0199 (6) | |
H6CA | 0.2390 | 0.3734 | 0.0113 | 0.024* | |
C7C | 0.0232 (2) | 0.21290 (15) | −0.0524 (2) | 0.0188 (6) | |
H7CA | −0.0094 | 0.2178 | −0.0151 | 0.023* | |
H7CB | −0.0212 | 0.1929 | −0.1056 | 0.023* | |
C8C | 0.1406 (2) | 0.14436 (15) | −0.0752 (2) | 0.0215 (7) | |
H8CA | 0.0900 | 0.1177 | −0.1150 | 0.032* | |
H8CB | 0.1976 | 0.1186 | −0.0473 | 0.032* | |
H8CC | 0.1536 | 0.1795 | −0.1056 | 0.032* | |
C9C | 0.0850 (2) | 0.11620 (14) | 0.0327 (2) | 0.0217 (7) | |
H9CA | 0.0310 | 0.0931 | −0.0087 | 0.032* | |
H9CB | 0.0687 | 0.1329 | 0.0771 | 0.032* | |
H9CC | 0.1389 | 0.0872 | 0.0575 | 0.032* | |
C10C | 0.2843 (2) | 0.33425 (14) | 0.20375 (18) | 0.0147 (6) | |
H10C | 0.2288 | 0.3217 | 0.2091 | 0.018* | |
C11C | 0.3334 (2) | 0.38727 (14) | 0.24940 (19) | 0.0151 (6) | |
H11C | 0.3120 | 0.4087 | 0.2859 | 0.018* | |
C12C | 0.4163 (2) | 0.40954 (14) | 0.24120 (19) | 0.0147 (6) | |
C13C | 0.4488 (2) | 0.36968 (14) | 0.1916 (2) | 0.0176 (6) | |
H13C | 0.5063 | 0.3793 | 0.1880 | 0.021* | |
C14C | 0.3952 (2) | 0.31674 (14) | 0.1487 (2) | 0.0178 (6) | |
H14C | 0.4179 | 0.2917 | 0.1161 | 0.021* | |
C15C | 0.4245 (2) | 0.50608 (14) | 0.3274 (2) | 0.0214 (7) | |
H15G | 0.4281 | 0.4825 | 0.3768 | 0.032* | |
H15J | 0.3587 | 0.5172 | 0.2921 | 0.032* | |
H15H | 0.4621 | 0.5451 | 0.3455 | 0.032* | |
C16C | 0.5372 (2) | 0.49260 (15) | 0.2570 (2) | 0.0234 (7) | |
H16J | 0.5916 | 0.4639 | 0.2774 | 0.035* | |
H16G | 0.5563 | 0.5344 | 0.2837 | 0.035* | |
H16H | 0.5132 | 0.4972 | 0.1959 | 0.035* |
U11 | U22 | U33 | U12 | U13 | U23 | |
Pd1A | 0.01285 (11) | 0.01455 (10) | 0.01270 (11) | −0.00272 (8) | 0.00456 (9) | −0.00152 (8) |
Cl1A | 0.0196 (4) | 0.0155 (3) | 0.0207 (4) | −0.0006 (3) | 0.0070 (3) | −0.0018 (3) |
N1A | 0.0140 (13) | 0.0143 (11) | 0.0148 (12) | −0.0027 (9) | 0.0025 (10) | −0.0031 (9) |
N2A | 0.0126 (13) | 0.0164 (12) | 0.0134 (12) | −0.0015 (9) | 0.0045 (10) | −0.0009 (9) |
N3A | 0.0156 (13) | 0.0152 (12) | 0.0145 (13) | −0.0003 (9) | 0.0056 (11) | −0.0025 (9) |
C1A | 0.0142 (15) | 0.0199 (14) | 0.0170 (15) | 0.0014 (11) | 0.0082 (13) | 0.0019 (11) |
C2A | 0.0162 (16) | 0.0201 (14) | 0.0208 (16) | 0.0004 (12) | 0.0104 (13) | 0.0003 (12) |
C3A | 0.0221 (18) | 0.0191 (15) | 0.0291 (18) | 0.0019 (13) | 0.0135 (15) | −0.0016 (13) |
C4A | 0.030 (2) | 0.0222 (16) | 0.032 (2) | 0.0068 (14) | 0.0173 (16) | 0.0061 (13) |
C5A | 0.0250 (19) | 0.0306 (17) | 0.0192 (17) | 0.0088 (14) | 0.0087 (15) | 0.0075 (13) |
C6A | 0.0199 (17) | 0.0257 (16) | 0.0163 (16) | 0.0002 (13) | 0.0100 (14) | 0.0002 (12) |
C7A | 0.0212 (17) | 0.0167 (14) | 0.0178 (15) | −0.0026 (12) | 0.0083 (13) | −0.0049 (11) |
C8A | 0.033 (2) | 0.0212 (15) | 0.0160 (16) | −0.0069 (14) | 0.0040 (15) | −0.0016 (12) |
C9A | 0.0149 (16) | 0.0207 (15) | 0.0236 (17) | −0.0025 (12) | 0.0058 (13) | −0.0028 (12) |
C10A | 0.0160 (16) | 0.0186 (14) | 0.0141 (14) | 0.0001 (11) | 0.0073 (12) | 0.0000 (11) |
C11A | 0.0133 (15) | 0.0149 (13) | 0.0178 (15) | 0.0007 (11) | 0.0075 (12) | 0.0015 (11) |
C12A | 0.0131 (15) | 0.0124 (13) | 0.0142 (14) | 0.0034 (10) | 0.0038 (12) | 0.0017 (10) |
C13A | 0.0155 (15) | 0.0158 (13) | 0.0128 (14) | 0.0032 (11) | 0.0055 (12) | 0.0002 (10) |
C14A | 0.0124 (15) | 0.0191 (14) | 0.0163 (15) | 0.0004 (11) | 0.0061 (12) | 0.0037 (11) |
C15A | 0.0193 (17) | 0.0163 (14) | 0.0178 (16) | −0.0037 (12) | 0.0053 (13) | −0.0006 (11) |
C16A | 0.0230 (18) | 0.0179 (14) | 0.0181 (16) | 0.0002 (12) | 0.0074 (14) | −0.0048 (12) |
Pd1B | 0.01489 (12) | 0.01478 (10) | 0.01449 (11) | 0.00106 (8) | 0.00685 (9) | 0.00080 (8) |
Cl1B | 0.0248 (4) | 0.0242 (4) | 0.0267 (4) | −0.0053 (3) | 0.0099 (4) | −0.0065 (3) |
N1B | 0.0199 (14) | 0.0158 (12) | 0.0162 (13) | 0.0028 (10) | 0.0084 (11) | 0.0023 (10) |
N2B | 0.0170 (14) | 0.0203 (13) | 0.0153 (13) | 0.0017 (10) | 0.0055 (11) | 0.0015 (10) |
N3B | 0.0252 (16) | 0.0187 (13) | 0.0210 (15) | 0.0026 (11) | 0.0034 (12) | 0.0012 (10) |
C1B | 0.0159 (16) | 0.0167 (14) | 0.0177 (15) | 0.0004 (11) | 0.0110 (13) | 0.0019 (11) |
C2B | 0.0181 (16) | 0.0192 (14) | 0.0194 (16) | −0.0001 (12) | 0.0103 (13) | 0.0024 (12) |
C3B | 0.0178 (17) | 0.0282 (16) | 0.0187 (16) | −0.0037 (13) | 0.0082 (14) | −0.0018 (12) |
C4B | 0.0268 (19) | 0.0258 (16) | 0.0264 (18) | −0.0083 (14) | 0.0146 (16) | −0.0070 (13) |
C5B | 0.0295 (19) | 0.0178 (15) | 0.0311 (19) | −0.0014 (13) | 0.0216 (16) | −0.0012 (13) |
C6B | 0.0175 (16) | 0.0177 (14) | 0.0219 (16) | 0.0021 (12) | 0.0104 (13) | 0.0026 (12) |
C7B | 0.0134 (16) | 0.0263 (16) | 0.0261 (17) | 0.0044 (12) | 0.0063 (14) | 0.0045 (13) |
C8B | 0.033 (2) | 0.0202 (15) | 0.0264 (18) | 0.0086 (14) | 0.0134 (16) | 0.0016 (13) |
C9B | 0.0273 (19) | 0.0205 (15) | 0.0224 (17) | 0.0033 (13) | 0.0132 (15) | 0.0035 (12) |
C10B | 0.0169 (17) | 0.0262 (16) | 0.0188 (16) | 0.0044 (13) | 0.0068 (13) | 0.0039 (12) |
C11B | 0.0258 (19) | 0.0244 (16) | 0.0180 (16) | −0.0003 (13) | 0.0102 (14) | 0.0037 (12) |
C12B | 0.0200 (17) | 0.0126 (13) | 0.0169 (15) | −0.0017 (11) | 0.0035 (13) | −0.0033 (11) |
C13B | 0.0174 (17) | 0.0218 (15) | 0.0185 (16) | 0.0046 (12) | 0.0051 (13) | −0.0019 (12) |
C14B | 0.0167 (16) | 0.0237 (15) | 0.0164 (15) | −0.0003 (12) | 0.0074 (13) | −0.0005 (12) |
C15B | 0.033 (2) | 0.0241 (17) | 0.0237 (18) | −0.0025 (15) | 0.0011 (16) | 0.0100 (14) |
C16B | 0.0233 (19) | 0.0216 (16) | 0.033 (2) | 0.0055 (14) | −0.0014 (16) | 0.0026 (14) |
Pd1C | 0.01330 (11) | 0.01438 (10) | 0.01201 (11) | −0.00092 (8) | 0.00422 (9) | −0.00101 (8) |
Cl1C | 0.0203 (4) | 0.0188 (3) | 0.0178 (4) | 0.0029 (3) | 0.0048 (3) | 0.0006 (3) |
N1C | 0.0148 (13) | 0.0165 (12) | 0.0169 (13) | −0.0028 (10) | 0.0055 (11) | −0.0003 (10) |
N2C | 0.0146 (13) | 0.0166 (12) | 0.0136 (12) | 0.0012 (9) | 0.0052 (11) | −0.0006 (9) |
N3C | 0.0210 (15) | 0.0148 (12) | 0.0230 (14) | −0.0033 (10) | 0.0119 (12) | −0.0025 (10) |
C1C | 0.0164 (16) | 0.0202 (14) | 0.0143 (15) | 0.0032 (12) | 0.0039 (13) | 0.0015 (11) |
C2C | 0.0155 (15) | 0.0177 (14) | 0.0160 (15) | −0.0007 (12) | 0.0062 (12) | −0.0010 (11) |
C3C | 0.0149 (16) | 0.0252 (16) | 0.0152 (15) | 0.0014 (12) | 0.0056 (13) | 0.0001 (12) |
C4C | 0.0244 (18) | 0.0225 (15) | 0.0180 (16) | 0.0066 (13) | 0.0093 (14) | 0.0041 (12) |
C5C | 0.0290 (19) | 0.0158 (14) | 0.0205 (16) | −0.0011 (13) | 0.0103 (15) | 0.0005 (12) |
C6C | 0.0202 (17) | 0.0205 (15) | 0.0169 (16) | −0.0016 (12) | 0.0059 (13) | −0.0015 (12) |
C7C | 0.0130 (15) | 0.0225 (15) | 0.0193 (16) | 0.0007 (12) | 0.0053 (13) | 0.0015 (12) |
C8C | 0.0194 (17) | 0.0237 (15) | 0.0205 (17) | −0.0054 (13) | 0.0074 (14) | −0.0077 (12) |
C9C | 0.0200 (17) | 0.0175 (14) | 0.0242 (17) | −0.0060 (12) | 0.0061 (14) | 0.0009 (12) |
C10C | 0.0121 (15) | 0.0191 (14) | 0.0130 (14) | 0.0013 (11) | 0.0054 (12) | 0.0022 (11) |
C11C | 0.0154 (15) | 0.0159 (13) | 0.0148 (14) | 0.0011 (11) | 0.0072 (12) | −0.0010 (11) |
C12C | 0.0148 (15) | 0.0153 (13) | 0.0121 (14) | −0.0005 (11) | 0.0037 (12) | −0.0005 (10) |
C13C | 0.0146 (16) | 0.0202 (14) | 0.0194 (16) | −0.0008 (12) | 0.0084 (13) | −0.0025 (12) |
C14C | 0.0179 (16) | 0.0186 (14) | 0.0168 (15) | 0.0007 (12) | 0.0073 (13) | −0.0025 (11) |
C15C | 0.0248 (18) | 0.0158 (14) | 0.0242 (17) | −0.0011 (12) | 0.0109 (15) | −0.0045 (12) |
C16C | 0.0245 (19) | 0.0193 (15) | 0.0283 (18) | −0.0071 (13) | 0.0130 (15) | −0.0019 (13) |
Pd1A—C1A | 1.984 (3) | C7B—H7BA | 0.9700 |
Pd1A—N2A | 2.033 (2) | C7B—H7BB | 0.9700 |
Pd1A—N1A | 2.078 (2) | C8B—H8BA | 0.9600 |
Pd1A—Cl1A | 2.4463 (8) | C8B—H8BB | 0.9600 |
N1A—C9A | 1.484 (4) | C8B—H8BC | 0.9600 |
N1A—C8A | 1.485 (4) | C9B—H9BA | 0.9600 |
N1A—C7A | 1.497 (4) | C9B—H9BB | 0.9600 |
N2A—C10A | 1.347 (4) | C9B—H9BC | 0.9600 |
N2A—C14A | 1.351 (4) | C10B—C11B | 1.373 (4) |
N3A—C12A | 1.353 (4) | C10B—H10B | 0.9300 |
N3A—C16A | 1.460 (4) | C11B—C12B | 1.415 (5) |
N3A—C15A | 1.461 (4) | C11B—H11B | 0.9300 |
C1A—C6A | 1.397 (4) | C12B—C13B | 1.413 (4) |
C1A—C2A | 1.408 (4) | C13B—C14B | 1.376 (4) |
C2A—C3A | 1.396 (4) | C13B—H13B | 0.9300 |
C2A—C7A | 1.489 (4) | C14B—H14B | 0.9300 |
C3A—C4A | 1.385 (5) | C15B—H15D | 0.9600 |
C3A—H3AA | 0.9300 | C15B—H15E | 0.9600 |
C4A—C5A | 1.382 (5) | C15B—H15F | 0.9600 |
C4A—H4AA | 0.9300 | C16B—H16D | 0.9600 |
C5A—C6A | 1.391 (4) | C16B—H16E | 0.9600 |
C5A—H5AA | 0.9300 | C16B—H16F | 0.9600 |
C6A—H6AA | 0.9300 | Pd1C—C1C | 2.001 (3) |
C7A—H7AA | 0.9700 | Pd1C—N2C | 2.038 (2) |
C7A—H7AB | 0.9700 | Pd1C—N1C | 2.083 (2) |
C8A—H8AA | 0.9600 | Pd1C—Cl1C | 2.4130 (8) |
C8A—H8AB | 0.9600 | N1C—C8C | 1.482 (4) |
C8A—H8AC | 0.9600 | N1C—C9C | 1.486 (4) |
C9A—H9AA | 0.9600 | N1C—C7C | 1.497 (4) |
C9A—H9AB | 0.9600 | N2C—C14C | 1.351 (4) |
C9A—H9AC | 0.9600 | N2C—C10C | 1.352 (4) |
C10A—C11A | 1.376 (4) | N3C—C12C | 1.362 (4) |
C10A—H10A | 0.9300 | N3C—C16C | 1.459 (4) |
C11A—C12A | 1.417 (4) | N3C—C15C | 1.460 (4) |
C11A—H11A | 0.9300 | C1C—C6C | 1.383 (4) |
C12A—C13A | 1.415 (4) | C1C—C2C | 1.397 (4) |
C13A—C14A | 1.377 (4) | C2C—C3C | 1.390 (4) |
C13A—H13A | 0.9300 | C2C—C7C | 1.500 (4) |
C14A—H14A | 0.9300 | C3C—C4C | 1.389 (4) |
C15A—H15A | 0.9600 | C3C—H3CA | 0.9300 |
C15A—H15B | 0.9600 | C4C—C5C | 1.391 (5) |
C15A—H15C | 0.9600 | C4C—H4CA | 0.9300 |
C16A—H16A | 0.9600 | C5C—C6C | 1.397 (4) |
C16A—H16B | 0.9600 | C5C—H5CA | 0.9300 |
C16A—H16C | 0.9600 | C6C—H6CA | 0.9300 |
Pd1B—C1B | 1.989 (3) | C7C—H7CA | 0.9700 |
Pd1B—N2B | 2.022 (3) | C7C—H7CB | 0.9700 |
Pd1B—N1B | 2.080 (2) | C8C—H8CA | 0.9600 |
Pd1B—Cl1B | 2.4237 (8) | C8C—H8CB | 0.9600 |
N1B—C9B | 1.478 (4) | C8C—H8CC | 0.9600 |
N1B—C8B | 1.486 (4) | C9C—H9CA | 0.9600 |
N1B—C7B | 1.498 (4) | C9C—H9CB | 0.9600 |
N2B—C14B | 1.346 (4) | C9C—H9CC | 0.9600 |
N2B—C10B | 1.351 (4) | C10C—C11C | 1.368 (4) |
N3B—C12B | 1.355 (4) | C10C—H10C | 0.9300 |
N3B—C15B | 1.458 (4) | C11C—C12C | 1.413 (4) |
N3B—C16B | 1.458 (5) | C11C—H11C | 0.9300 |
C1B—C6B | 1.396 (4) | C12C—C13C | 1.415 (4) |
C1B—C2B | 1.403 (4) | C13C—C14C | 1.376 (4) |
C2B—C3B | 1.394 (4) | C13C—H13C | 0.9300 |
C2B—C7B | 1.514 (4) | C14C—H14C | 0.9300 |
C3B—C4B | 1.394 (5) | C15C—H15G | 0.9600 |
C3B—H3BA | 0.9300 | C15C—H15J | 0.9600 |
C4B—C5B | 1.379 (5) | C15C—H15H | 0.9600 |
C4B—H4BA | 0.9300 | C16C—H16J | 0.9600 |
C5B—C6B | 1.401 (4) | C16C—H16G | 0.9600 |
C5B—H5BA | 0.9300 | C16C—H16H | 0.9600 |
C6B—H6BA | 0.9300 | ||
C1A—Pd1A—N2A | 92.91 (11) | H7BA—C7B—H7BB | 108.3 |
C1A—Pd1A—N1A | 83.30 (11) | N1B—C8B—H8BA | 109.5 |
N2A—Pd1A—N1A | 176.19 (10) | N1B—C8B—H8BB | 109.5 |
C1A—Pd1A—Cl1A | 174.58 (9) | H8BA—C8B—H8BB | 109.5 |
N2A—Pd1A—Cl1A | 91.26 (7) | N1B—C8B—H8BC | 109.5 |
N1A—Pd1A—Cl1A | 92.50 (7) | H8BA—C8B—H8BC | 109.5 |
C9A—N1A—C8A | 109.0 (3) | H8BB—C8B—H8BC | 109.5 |
C9A—N1A—C7A | 110.2 (2) | N1B—C9B—H9BA | 109.5 |
C8A—N1A—C7A | 108.4 (2) | N1B—C9B—H9BB | 109.5 |
C9A—N1A—Pd1A | 105.49 (18) | H9BA—C9B—H9BB | 109.5 |
C8A—N1A—Pd1A | 116.26 (19) | N1B—C9B—H9BC | 109.5 |
C7A—N1A—Pd1A | 107.38 (18) | H9BA—C9B—H9BC | 109.5 |
C10A—N2A—C14A | 116.6 (3) | H9BB—C9B—H9BC | 109.5 |
C10A—N2A—Pd1A | 119.4 (2) | N2B—C10B—C11B | 123.6 (3) |
C14A—N2A—Pd1A | 123.9 (2) | N2B—C10B—H10B | 118.2 |
C12A—N3A—C16A | 120.9 (3) | C11B—C10B—H10B | 118.2 |
C12A—N3A—C15A | 120.2 (2) | C10B—C11B—C12B | 119.9 (3) |
C16A—N3A—C15A | 119.0 (2) | C10B—C11B—H11B | 120.0 |
C6A—C1A—C2A | 117.5 (3) | C12B—C11B—H11B | 120.0 |
C6A—C1A—Pd1A | 129.1 (2) | N3B—C12B—C13B | 122.4 (3) |
C2A—C1A—Pd1A | 113.4 (2) | N3B—C12B—C11B | 121.5 (3) |
C3A—C2A—C1A | 121.1 (3) | C13B—C12B—C11B | 116.1 (3) |
C3A—C2A—C7A | 122.7 (3) | C14B—C13B—C12B | 119.6 (3) |
C1A—C2A—C7A | 116.1 (3) | C14B—C13B—H13B | 120.2 |
C4A—C3A—C2A | 119.9 (3) | C12B—C13B—H13B | 120.2 |
C4A—C3A—H3AA | 120.0 | N2B—C14B—C13B | 123.9 (3) |
C2A—C3A—H3AA | 120.0 | N2B—C14B—H14B | 118.0 |
C5A—C4A—C3A | 119.7 (3) | C13B—C14B—H14B | 118.0 |
C5A—C4A—H4AA | 120.1 | N3B—C15B—H15D | 109.5 |
C3A—C4A—H4AA | 120.1 | N3B—C15B—H15E | 109.5 |
C4A—C5A—C6A | 120.5 (3) | H15D—C15B—H15E | 109.5 |
C4A—C5A—H5AA | 119.7 | N3B—C15B—H15F | 109.5 |
C6A—C5A—H5AA | 119.7 | H15D—C15B—H15F | 109.5 |
C5A—C6A—C1A | 121.2 (3) | H15E—C15B—H15F | 109.5 |
C5A—C6A—H6AA | 119.4 | N3B—C16B—H16D | 109.5 |
C1A—C6A—H6AA | 119.4 | N3B—C16B—H16E | 109.5 |
C2A—C7A—N1A | 109.6 (2) | H16D—C16B—H16E | 109.5 |
C2A—C7A—H7AA | 109.7 | N3B—C16B—H16F | 109.5 |
N1A—C7A—H7AA | 109.7 | H16D—C16B—H16F | 109.5 |
C2A—C7A—H7AB | 109.7 | H16E—C16B—H16F | 109.5 |
N1A—C7A—H7AB | 109.7 | C1C—Pd1C—N2C | 91.73 (11) |
H7AA—C7A—H7AB | 108.2 | C1C—Pd1C—N1C | 82.36 (11) |
N1A—C8A—H8AA | 109.5 | N2C—Pd1C—N1C | 172.76 (10) |
N1A—C8A—H8AB | 109.5 | C1C—Pd1C—Cl1C | 173.87 (9) |
H8AA—C8A—H8AB | 109.5 | N2C—Pd1C—Cl1C | 91.92 (7) |
N1A—C8A—H8AC | 109.5 | N1C—Pd1C—Cl1C | 94.34 (7) |
H8AA—C8A—H8AC | 109.5 | C8C—N1C—C9C | 108.9 (2) |
H8AB—C8A—H8AC | 109.5 | C8C—N1C—C7C | 110.2 (2) |
N1A—C9A—H9AA | 109.5 | C9C—N1C—C7C | 108.0 (2) |
N1A—C9A—H9AB | 109.5 | C8C—N1C—Pd1C | 109.26 (19) |
H9AA—C9A—H9AB | 109.5 | C9C—N1C—Pd1C | 114.09 (19) |
N1A—C9A—H9AC | 109.5 | C7C—N1C—Pd1C | 106.39 (17) |
H9AA—C9A—H9AC | 109.5 | C14C—N2C—C10C | 116.1 (3) |
H9AB—C9A—H9AC | 109.5 | C14C—N2C—Pd1C | 124.9 (2) |
N2A—C10A—C11A | 124.0 (3) | C10C—N2C—Pd1C | 118.5 (2) |
N2A—C10A—H10A | 118.0 | C12C—N3C—C16C | 120.4 (3) |
C11A—C10A—H10A | 118.0 | C12C—N3C—C15C | 120.3 (3) |
C10A—C11A—C12A | 119.7 (3) | C16C—N3C—C15C | 118.3 (2) |
C10A—C11A—H11A | 120.1 | C6C—C1C—C2C | 118.7 (3) |
C12A—C11A—H11A | 120.1 | C6C—C1C—Pd1C | 128.1 (2) |
N3A—C12A—C13A | 122.8 (3) | C2C—C1C—Pd1C | 113.1 (2) |
N3A—C12A—C11A | 121.4 (3) | C3C—C2C—C1C | 121.1 (3) |
C13A—C12A—C11A | 115.8 (3) | C3C—C2C—C7C | 122.7 (3) |
C14A—C13A—C12A | 120.0 (3) | C1C—C2C—C7C | 116.1 (3) |
C14A—C13A—H13A | 120.0 | C4C—C3C—C2C | 119.8 (3) |
C12A—C13A—H13A | 120.0 | C4C—C3C—H3CA | 120.1 |
N2A—C14A—C13A | 123.7 (3) | C2C—C3C—H3CA | 120.1 |
N2A—C14A—H14A | 118.2 | C3C—C4C—C5C | 119.6 (3) |
C13A—C14A—H14A | 118.2 | C3C—C4C—H4CA | 120.2 |
N3A—C15A—H15A | 109.5 | C5C—C4C—H4CA | 120.2 |
N3A—C15A—H15B | 109.5 | C4C—C5C—C6C | 120.2 (3) |
H15A—C15A—H15B | 109.5 | C4C—C5C—H5CA | 119.9 |
N3A—C15A—H15C | 109.5 | C6C—C5C—H5CA | 119.9 |
H15A—C15A—H15C | 109.5 | C1C—C6C—C5C | 120.6 (3) |
H15B—C15A—H15C | 109.5 | C1C—C6C—H6CA | 119.7 |
N3A—C16A—H16A | 109.5 | C5C—C6C—H6CA | 119.7 |
N3A—C16A—H16B | 109.5 | N1C—C7C—C2C | 108.5 (2) |
H16A—C16A—H16B | 109.5 | N1C—C7C—H7CA | 110.0 |
N3A—C16A—H16C | 109.5 | C2C—C7C—H7CA | 110.0 |
H16A—C16A—H16C | 109.5 | N1C—C7C—H7CB | 110.0 |
H16B—C16A—H16C | 109.5 | C2C—C7C—H7CB | 110.0 |
C1B—Pd1B—N2B | 92.89 (11) | H7CA—C7C—H7CB | 108.4 |
C1B—Pd1B—N1B | 83.13 (11) | N1C—C8C—H8CA | 109.5 |
N2B—Pd1B—N1B | 175.97 (10) | N1C—C8C—H8CB | 109.5 |
C1B—Pd1B—Cl1B | 176.38 (9) | H8CA—C8C—H8CB | 109.5 |
N2B—Pd1B—Cl1B | 88.72 (8) | N1C—C8C—H8CC | 109.5 |
N1B—Pd1B—Cl1B | 95.22 (7) | H8CA—C8C—H8CC | 109.5 |
C9B—N1B—C8B | 108.9 (2) | H8CB—C8C—H8CC | 109.5 |
C9B—N1B—C7B | 109.6 (2) | N1C—C9C—H9CA | 109.5 |
C8B—N1B—C7B | 108.7 (3) | N1C—C9C—H9CB | 109.5 |
C9B—N1B—Pd1B | 106.91 (19) | H9CA—C9C—H9CB | 109.5 |
C8B—N1B—Pd1B | 113.8 (2) | N1C—C9C—H9CC | 109.5 |
C7B—N1B—Pd1B | 108.88 (18) | H9CA—C9C—H9CC | 109.5 |
C14B—N2B—C10B | 116.7 (3) | H9CB—C9C—H9CC | 109.5 |
C14B—N2B—Pd1B | 121.9 (2) | N2C—C10C—C11C | 124.1 (3) |
C10B—N2B—Pd1B | 121.3 (2) | N2C—C10C—H10C | 118.0 |
C12B—N3B—C15B | 120.4 (3) | C11C—C10C—H10C | 118.0 |
C12B—N3B—C16B | 120.5 (3) | C10C—C11C—C12C | 120.0 (3) |
C15B—N3B—C16B | 119.1 (3) | C10C—C11C—H11C | 120.0 |
C6B—C1B—C2B | 117.1 (3) | C12C—C11C—H11C | 120.0 |
C6B—C1B—Pd1B | 128.5 (2) | N3C—C12C—C11C | 122.2 (3) |
C2B—C1B—Pd1B | 114.4 (2) | N3C—C12C—C13C | 122.2 (3) |
C3B—C2B—C1B | 122.4 (3) | C11C—C12C—C13C | 115.6 (3) |
C3B—C2B—C7B | 121.6 (3) | C14C—C13C—C12C | 119.9 (3) |
C1B—C2B—C7B | 115.8 (3) | C14C—C13C—H13C | 120.0 |
C2B—C3B—C4B | 118.6 (3) | C12C—C13C—H13C | 120.0 |
C2B—C3B—H3BA | 120.7 | N2C—C14C—C13C | 123.8 (3) |
C4B—C3B—H3BA | 120.7 | N2C—C14C—H14C | 118.1 |
C5B—C4B—C3B | 120.5 (3) | C13C—C14C—H14C | 118.1 |
C5B—C4B—H4BA | 119.8 | N3C—C15C—H15G | 109.5 |
C3B—C4B—H4BA | 119.8 | N3C—C15C—H15J | 109.5 |
C4B—C5B—C6B | 120.1 (3) | H15G—C15C—H15J | 109.5 |
C4B—C5B—H5BA | 119.9 | N3C—C15C—H15H | 109.5 |
C6B—C5B—H5BA | 119.9 | H15G—C15C—H15H | 109.5 |
C1B—C6B—C5B | 121.1 (3) | H15J—C15C—H15H | 109.5 |
C1B—C6B—H6BA | 119.4 | N3C—C16C—H16J | 109.5 |
C5B—C6B—H6BA | 119.4 | N3C—C16C—H16G | 109.5 |
N1B—C7B—C2B | 109.3 (3) | H16J—C16C—H16G | 109.5 |
N1B—C7B—H7BA | 109.8 | N3C—C16C—H16H | 109.5 |
C2B—C7B—H7BA | 109.8 | H16J—C16C—H16H | 109.5 |
N1B—C7B—H7BB | 109.8 | H16G—C16C—H16H | 109.5 |
C2B—C7B—H7BB | 109.8 | ||
C1A—Pd1A—N1A—C9A | −93.5 (2) | C2B—C1B—C6B—C5B | −1.3 (4) |
Cl1A—Pd1A—N1A—C9A | 83.05 (18) | Pd1B—C1B—C6B—C5B | 176.6 (2) |
C1A—Pd1A—N1A—C8A | 145.6 (2) | C4B—C5B—C6B—C1B | −1.5 (5) |
Cl1A—Pd1A—N1A—C8A | −37.8 (2) | C9B—N1B—C7B—C2B | −85.8 (3) |
C1A—Pd1A—N1A—C7A | 24.0 (2) | C8B—N1B—C7B—C2B | 155.3 (3) |
Cl1A—Pd1A—N1A—C7A | −159.40 (18) | Pd1B—N1B—C7B—C2B | 30.9 (3) |
C1A—Pd1A—N2A—C10A | −102.5 (2) | C3B—C2B—C7B—N1B | 156.7 (3) |
Cl1A—Pd1A—N2A—C10A | 81.0 (2) | C1B—C2B—C7B—N1B | −27.3 (4) |
C1A—Pd1A—N2A—C14A | 82.5 (2) | C14B—N2B—C10B—C11B | 0.2 (5) |
Cl1A—Pd1A—N2A—C14A | −94.1 (2) | Pd1B—N2B—C10B—C11B | 178.1 (2) |
N2A—Pd1A—C1A—C6A | −10.7 (3) | N2B—C10B—C11B—C12B | 0.5 (5) |
N1A—Pd1A—C1A—C6A | 168.9 (3) | C15B—N3B—C12B—C13B | 176.1 (3) |
N2A—Pd1A—C1A—C2A | 171.3 (2) | C16B—N3B—C12B—C13B | −4.1 (4) |
N1A—Pd1A—C1A—C2A | −9.1 (2) | C15B—N3B—C12B—C11B | −4.3 (4) |
C6A—C1A—C2A—C3A | −2.8 (5) | C16B—N3B—C12B—C11B | 175.5 (3) |
Pd1A—C1A—C2A—C3A | 175.5 (2) | C10B—C11B—C12B—N3B | 179.5 (3) |
C6A—C1A—C2A—C7A | 173.0 (3) | C10B—C11B—C12B—C13B | −0.8 (4) |
Pd1A—C1A—C2A—C7A | −8.7 (4) | N3B—C12B—C13B—C14B | −179.8 (3) |
C1A—C2A—C3A—C4A | 3.5 (5) | C11B—C12B—C13B—C14B | 0.6 (4) |
C7A—C2A—C3A—C4A | −172.1 (3) | C10B—N2B—C14B—C13B | −0.5 (5) |
C2A—C3A—C4A—C5A | −2.0 (5) | Pd1B—N2B—C14B—C13B | −178.4 (2) |
C3A—C4A—C5A—C6A | 0.0 (5) | C12B—C13B—C14B—N2B | 0.1 (5) |
C4A—C5A—C6A—C1A | 0.6 (5) | C1C—Pd1C—N1C—C8C | 89.5 (2) |
C2A—C1A—C6A—C5A | 0.7 (5) | Cl1C—Pd1C—N1C—C8C | −85.34 (19) |
Pd1A—C1A—C6A—C5A | −177.2 (3) | C1C—Pd1C—N1C—C9C | −148.4 (2) |
C3A—C2A—C7A—N1A | −155.1 (3) | Cl1C—Pd1C—N1C—C9C | 36.8 (2) |
C1A—C2A—C7A—N1A | 29.1 (4) | C1C—Pd1C—N1C—C7C | −29.4 (2) |
C9A—N1A—C7A—C2A | 80.6 (3) | Cl1C—Pd1C—N1C—C7C | 155.75 (18) |
C8A—N1A—C7A—C2A | −160.2 (3) | C1C—Pd1C—N2C—C14C | −90.6 (3) |
Pd1A—N1A—C7A—C2A | −33.9 (3) | Cl1C—Pd1C—N2C—C14C | 84.5 (2) |
C14A—N2A—C10A—C11A | 1.7 (4) | C1C—Pd1C—N2C—C10C | 82.0 (2) |
Pd1A—N2A—C10A—C11A | −173.7 (2) | Cl1C—Pd1C—N2C—C10C | −103.0 (2) |
N2A—C10A—C11A—C12A | 2.2 (4) | N2C—Pd1C—C1C—C6C | 22.5 (3) |
C16A—N3A—C12A—C13A | 2.5 (4) | N1C—Pd1C—C1C—C6C | −161.7 (3) |
C15A—N3A—C12A—C13A | −176.4 (3) | N2C—Pd1C—C1C—C2C | −162.0 (2) |
C16A—N3A—C12A—C11A | −178.2 (3) | N1C—Pd1C—C1C—C2C | 13.8 (2) |
C15A—N3A—C12A—C11A | 3.0 (4) | C6C—C1C—C2C—C3C | −0.3 (5) |
C10A—C11A—C12A—N3A | 176.2 (3) | Pd1C—C1C—C2C—C3C | −176.3 (2) |
C10A—C11A—C12A—C13A | −4.4 (4) | C6C—C1C—C2C—C7C | −178.4 (3) |
N3A—C12A—C13A—C14A | −177.7 (3) | Pd1C—C1C—C2C—C7C | 5.6 (4) |
C11A—C12A—C13A—C14A | 2.9 (4) | C1C—C2C—C3C—C4C | −1.1 (5) |
C10A—N2A—C14A—C13A | −3.4 (4) | C7C—C2C—C3C—C4C | 176.9 (3) |
Pd1A—N2A—C14A—C13A | 171.7 (2) | C2C—C3C—C4C—C5C | 1.5 (5) |
C12A—C13A—C14A—N2A | 1.1 (4) | C3C—C4C—C5C—C6C | −0.5 (5) |
C1B—Pd1B—N1B—C9B | 96.9 (2) | C2C—C1C—C6C—C5C | 1.4 (5) |
Cl1B—Pd1B—N1B—C9B | −79.86 (19) | Pd1C—C1C—C6C—C5C | 176.6 (2) |
C1B—Pd1B—N1B—C8B | −142.8 (2) | C4C—C5C—C6C—C1C | −0.9 (5) |
Cl1B—Pd1B—N1B—C8B | 40.4 (2) | C8C—N1C—C7C—C2C | −79.5 (3) |
C1B—Pd1B—N1B—C7B | −21.4 (2) | C9C—N1C—C7C—C2C | 161.7 (2) |
Cl1B—Pd1B—N1B—C7B | 161.82 (19) | Pd1C—N1C—C7C—C2C | 38.8 (3) |
C1B—Pd1B—N2B—C14B | −96.0 (2) | C3C—C2C—C7C—N1C | 151.3 (3) |
Cl1B—Pd1B—N2B—C14B | 80.7 (2) | C1C—C2C—C7C—N1C | −30.6 (4) |
C1B—Pd1B—N2B—C10B | 86.2 (3) | C14C—N2C—C10C—C11C | 3.3 (4) |
Cl1B—Pd1B—N2B—C10B | −97.1 (2) | Pd1C—N2C—C10C—C11C | −170.0 (2) |
N2B—Pd1B—C1B—C6B | 8.3 (3) | N2C—C10C—C11C—C12C | 2.1 (5) |
N1B—Pd1B—C1B—C6B | −171.0 (3) | C16C—N3C—C12C—C11C | −169.9 (3) |
N2B—Pd1B—C1B—C2B | −173.8 (2) | C15C—N3C—C12C—C11C | −1.1 (4) |
N1B—Pd1B—C1B—C2B | 6.9 (2) | C16C—N3C—C12C—C13C | 9.9 (4) |
C6B—C1B—C2B—C3B | 3.7 (5) | C15C—N3C—C12C—C13C | 178.7 (3) |
Pd1B—C1B—C2B—C3B | −174.5 (2) | C10C—C11C—C12C—N3C | 173.1 (3) |
C6B—C1B—C2B—C7B | −172.2 (3) | C10C—C11C—C12C—C13C | −6.6 (4) |
Pd1B—C1B—C2B—C7B | 9.6 (4) | N3C—C12C—C13C—C14C | −173.8 (3) |
C1B—C2B—C3B—C4B | −3.1 (5) | C11C—C12C—C13C—C14C | 6.0 (4) |
C7B—C2B—C3B—C4B | 172.6 (3) | C10C—N2C—C14C—C13C | −3.9 (4) |
C2B—C3B—C4B—C5B | 0.1 (5) | Pd1C—N2C—C14C—C13C | 168.8 (2) |
C3B—C4B—C5B—C6B | 2.1 (5) | C12C—C13C—C14C—N2C | −0.8 (5) |
D—H···A | D—H | H···A | D···A | D—H···A |
C7A—H7AB···N3Ai | 0.97 | 2.57 | 3.519 (4) | 167 |
C8A—H8AB···Cl1A | 0.96 | 2.71 | 3.267 (3) | 117 |
C5B—H5BA···Cl1Cii | 0.93 | 2.83 | 3.738 (3) | 168 |
C15A—H15B···Cl1Aiii | 0.96 | 2.67 | 3.617 (3) | 171 |
C6B—H6BA···N2B | 0.93 | 2.62 | 3.108 (4) | 113 |
C8B—H8BA···N3Biv | 0.96 | 2.60 | 3.482 (4) | 153 |
C8B—H8BC···Cl1B | 0.96 | 2.76 | 3.329 (4) | 118 |
C3C—H3CA···Cl1Cv | 0.93 | 2.82 | 3.476 (3) | 129 |
C9C—H9CC···Cl1C | 0.96 | 2.73 | 3.264 (3) | 116 |
C9A—H9AB···Cg5ii | 0.96 | 2.76 | 3.580 (3) | 143 |
C11A—H11A···Cg4iii | 0.93 | 2.74 | 3.522 (4) | 142 |
C15A—H15A···Cg1iii | 0.96 | 3.02 | 3.537 (3) | 116 |
C9B—H9BB···Cg3iii | 0.96 | 2.98 | 3.766 (5) | 140 |
C10B—H10B···Cg5 | 0.93 | 3.11 | 3.693 (4) | 122 |
C11B—H11B···Cg5 | 0.93 | 3.00 | 3.625 (4) | 126 |
C6C—H6CA···Cg2 | 0.93 | 2.99 | 3.700 (3) | 134 |
C11C—H11C···Cg4 | 0.93 | 2.61 | 3.414 (4) | 145 |
Symmetry codes: (i) x+1/2, −y+3/2, z+1/2; (ii) −x+1/2, y+1/2, −z+1/2; (iii) −x, −y+1, −z+1; (iv) x+1/2, −y+1/2, z+1/2; (v) x−1/2, −y+1/2, z−1/2. |
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