Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536803022943/cf6288sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S1600536803022943/cf6288Isup2.hkl |
CCDC reference: 226660
Data collection: COLLECT (Nonius, 1998); cell refinement: HKL SCALEPACK (Otwinowski & Minor, 1997); data reduction: HKL DENZO (Otwinowski & Minor, 1997) and SCALEPACK; program(s) used to solve structure: SIR92 (Altomare et al., 1994); program(s) used to refine structure: SHELXTL (Bruker, 2001); molecular graphics: SHELXTL; software used to prepare material for publication: SHELXTL.
[Pd(C7H16N2)2]Cl2·3CH4O | F(000) = 1112 |
Mr = 529.86 | Dx = 1.417 Mg m−3 |
Orthorhombic, P212121 | Mo Kα radiation, λ = 0.71073 Å |
Hall symbol: P 2ac 2ab | Cell parameters from 14842 reflections |
a = 7.3092 (1) Å | θ = 1.0–27.5° |
b = 12.9075 (2) Å | µ = 0.99 mm−1 |
c = 26.3277 (6) Å | T = 180 K |
V = 2483.85 (8) Å3 | Block, yellow |
Z = 4 | 0.23 × 0.10 × 0.10 mm |
Nonius Kappa CCD area-detector diffractometer | 4721 reflections with I > 2σ(I) |
Radiation source: fine-focus sealed tube | Rint = 0.046 |
thin slice ω and φ scans | θmax = 27.5°, θmin = 3.5° |
Absorption correction: multi-scan (SORTAV; Blessing, 1995) | h = −9→9 |
Tmin = 0.843, Tmax = 0.906 | k = −16→16 |
14487 measured reflections | l = −29→34 |
5324 independent reflections |
Refinement on F2 | Secondary atom site location: difference Fourier map |
Least-squares matrix: full | Hydrogen site location: inferred from neighbouring sites |
R[F2 > 2σ(F2)] = 0.036 | H-atom parameters constrained |
wR(F2) = 0.075 | w = 1/[σ2(Fo2) + (0.0286P)2 + 1.4529P] where P = (Fo2 + 2Fc2)/3 |
S = 1.01 | (Δ/σ)max = 0.002 |
5324 reflections | Δρmax = 0.52 e Å−3 |
243 parameters | Δρmin = −1.10 e Å−3 |
0 restraints | Absolute structure: Flack (1983), 2149 Friedel pairs |
Primary atom site location: structure-invariant direct methods | Absolute structure parameter: −0.02 (3) |
Experimental. -OH hydrogen atoms were not located in difference Fourier maps and were instead placed in calculated positions with AFIX 14 instructions. |
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) | |
Pd1 | 0.45964 (3) | 0.68757 (2) | 0.129037 (10) | 0.01785 (7) | |
Cl1 | 0.86106 (13) | 0.04170 (8) | 0.23553 (4) | 0.0327 (2) | |
Cl2 | 0.90153 (12) | 0.61434 (8) | 0.02073 (4) | 0.0316 (2) | |
N1 | 0.4681 (4) | 0.8453 (2) | 0.13970 (10) | 0.0185 (6) | |
C1 | 0.8075 (5) | 0.8488 (3) | 0.12406 (18) | 0.0323 (10) | |
H1A | 0.9040 | 0.8880 | 0.1067 | 0.048* | |
H1B | 0.8048 | 0.7778 | 0.1109 | 0.048* | |
H1C | 0.8323 | 0.8475 | 0.1606 | 0.048* | |
N2 | 0.4355 (4) | 0.6835 (2) | 0.20626 (10) | 0.0225 (6) | |
H2A | 0.3571 | 0.6313 | 0.2158 | 0.027* | |
H2B | 0.5478 | 0.6713 | 0.2209 | 0.027* | |
C2 | 0.6253 (5) | 0.8999 (3) | 0.11461 (16) | 0.0255 (9) | |
H2C | 0.6304 | 0.9721 | 0.1272 | 0.031* | |
H2D | 0.6030 | 0.9025 | 0.0775 | 0.031* | |
N3 | 0.4224 (4) | 0.5312 (2) | 0.11751 (11) | 0.0212 (7) | |
C3 | 0.2921 (5) | 0.8920 (3) | 0.12177 (16) | 0.0242 (9) | |
H3A | 0.1879 | 0.8455 | 0.1295 | 0.029* | |
H3B | 0.2959 | 0.9045 | 0.0847 | 0.029* | |
N4 | 0.4974 (3) | 0.6908 (2) | 0.05212 (10) | 0.0209 (6) | |
H4A | 0.4475 | 0.7502 | 0.0387 | 0.025* | |
H4B | 0.6203 | 0.6898 | 0.0446 | 0.025* | |
C4 | 0.2737 (5) | 0.9943 (3) | 0.15075 (15) | 0.0300 (9) | |
H4C | 0.3316 | 1.0516 | 0.1316 | 0.036* | |
H4D | 0.1433 | 1.0115 | 0.1565 | 0.036* | |
C5 | 0.3721 (5) | 0.9766 (3) | 0.20123 (15) | 0.0297 (9) | |
H5A | 0.2835 | 0.9757 | 0.2297 | 0.036* | |
H5B | 0.4630 | 1.0320 | 0.2075 | 0.036* | |
C6 | 0.4680 (5) | 0.8702 (3) | 0.19618 (13) | 0.0216 (7) | |
H6 | 0.5961 | 0.8742 | 0.2093 | 0.026* | |
C7 | 0.3630 (5) | 0.7854 (3) | 0.22326 (14) | 0.0256 (9) | |
H7A | 0.3778 | 0.7926 | 0.2605 | 0.031* | |
H7B | 0.2311 | 0.7906 | 0.2151 | 0.031* | |
C8 | 0.7377 (5) | 0.4915 (3) | 0.15137 (16) | 0.0331 (10) | |
H8A | 0.8048 | 0.4429 | 0.1731 | 0.050* | |
H8B | 0.7531 | 0.5621 | 0.1644 | 0.050* | |
H8C | 0.7854 | 0.4876 | 0.1166 | 0.050* | |
C9 | 0.5354 (5) | 0.4634 (3) | 0.15137 (14) | 0.0263 (8) | |
H9A | 0.5218 | 0.3905 | 0.1402 | 0.032* | |
H9B | 0.4880 | 0.4685 | 0.1865 | 0.032* | |
C10 | 0.2238 (5) | 0.5038 (3) | 0.12357 (17) | 0.0258 (8) | |
H10A | 0.1451 | 0.5604 | 0.1106 | 0.031* | |
H10B | 0.1940 | 0.4918 | 0.1598 | 0.031* | |
C11 | 0.1951 (6) | 0.4051 (3) | 0.09266 (16) | 0.0340 (10) | |
H11A | 0.0705 | 0.4032 | 0.0780 | 0.041* | |
H11B | 0.2126 | 0.3429 | 0.1142 | 0.041* | |
C12 | 0.3395 (6) | 0.4096 (3) | 0.05078 (16) | 0.0337 (10) | |
H12A | 0.2806 | 0.4162 | 0.0171 | 0.040* | |
H12B | 0.4151 | 0.3459 | 0.0510 | 0.040* | |
C13 | 0.4581 (5) | 0.5052 (3) | 0.06218 (13) | 0.0223 (7) | |
H13 | 0.5903 | 0.4882 | 0.0571 | 0.027* | |
C14 | 0.4063 (5) | 0.5983 (3) | 0.03029 (15) | 0.0242 (8) | |
H14A | 0.4463 | 0.5879 | −0.0053 | 0.029* | |
H14B | 0.2719 | 0.6078 | 0.0305 | 0.029* | |
C15 | 1.1732 (6) | 0.2558 (4) | 0.2127 (2) | 0.0458 (12) | |
H15A | 1.1593 | 0.3290 | 0.2218 | 0.055* | |
H15B | 1.0679 | 0.2338 | 0.1923 | 0.055* | |
H15C | 1.2856 | 0.2467 | 0.1929 | 0.055* | |
O1 | 1.1830 (4) | 0.1947 (3) | 0.25769 (11) | 0.0411 (7) | |
H1 | 1.1013 | 0.1490 | 0.2569 | 0.049* | |
C16 | 0.7675 (7) | 0.1925 (5) | 0.1078 (2) | 0.0575 (13) | |
H16A | 0.8281 | 0.2600 | 0.1050 | 0.069* | |
H16B | 0.6840 | 0.1831 | 0.0790 | 0.069* | |
H16C | 0.8598 | 0.1374 | 0.1075 | 0.069* | |
O2 | 0.6691 (5) | 0.1881 (3) | 0.15290 (15) | 0.0704 (11) | |
H2 | 0.7239 | 0.1496 | 0.1736 | 0.084* | |
C17 | 0.7291 (8) | 0.3567 (5) | 0.9689 (3) | 0.0661 (11)* | 0.50 |
H17A | 0.6901 | 0.3154 | 0.9982 | 0.079* | 0.50 |
H17B | 0.7197 | 0.3147 | 0.9379 | 0.079* | 0.50 |
H17C | 0.6504 | 0.4178 | 0.9657 | 0.079* | 0.50 |
O3 | 0.9132 (10) | 0.3886 (6) | 0.9758 (3) | 0.0661 (11)* | 0.50 |
H3 | 0.9179 | 0.4342 | 0.9985 | 0.079* | 0.50 |
C17' | 0.7291 (8) | 0.3567 (5) | 0.9689 (3) | 0.0661 (11)* | 0.50 |
H17D | 0.6040 | 0.3744 | 0.9790 | 0.079* | 0.50 |
H17E | 0.7328 | 0.2847 | 0.9571 | 0.079* | 0.50 |
H17F | 0.7683 | 0.4027 | 0.9413 | 0.079* | 0.50 |
O3' | 0.8417 (10) | 0.3681 (6) | 1.0087 (3) | 0.0661 (11)* | 0.50 |
H3' | 0.9014 | 0.4233 | 1.0055 | 0.079* | 0.50 |
U11 | U22 | U33 | U12 | U13 | U23 | |
Pd1 | 0.01594 (12) | 0.01959 (13) | 0.01803 (12) | −0.00027 (11) | 0.00031 (11) | 0.00015 (13) |
Cl1 | 0.0293 (5) | 0.0354 (6) | 0.0334 (5) | −0.0040 (4) | 0.0063 (4) | −0.0062 (5) |
Cl2 | 0.0254 (5) | 0.0362 (6) | 0.0334 (5) | 0.0024 (4) | 0.0042 (4) | 0.0104 (5) |
N1 | 0.0151 (13) | 0.0190 (14) | 0.0215 (15) | −0.0010 (12) | 0.0027 (12) | −0.0014 (12) |
C1 | 0.0198 (19) | 0.044 (3) | 0.033 (2) | −0.0045 (16) | 0.0013 (17) | −0.003 (2) |
N2 | 0.0248 (16) | 0.0233 (16) | 0.0195 (14) | −0.0014 (16) | 0.0008 (12) | −0.0013 (15) |
C2 | 0.0207 (19) | 0.028 (2) | 0.028 (2) | −0.0066 (15) | 0.0046 (15) | 0.0028 (18) |
N3 | 0.0217 (16) | 0.0215 (16) | 0.0204 (16) | −0.0011 (11) | 0.0004 (12) | 0.0016 (13) |
C3 | 0.0174 (18) | 0.027 (2) | 0.029 (2) | 0.0056 (15) | −0.0029 (16) | −0.0010 (19) |
N4 | 0.0212 (16) | 0.0218 (15) | 0.0197 (14) | 0.0022 (13) | 0.0023 (10) | 0.0022 (15) |
C4 | 0.029 (2) | 0.028 (2) | 0.033 (2) | 0.0106 (17) | −0.0019 (17) | −0.002 (2) |
C5 | 0.032 (2) | 0.029 (2) | 0.028 (2) | 0.0028 (18) | 0.0013 (17) | −0.0060 (19) |
C6 | 0.0196 (16) | 0.0251 (19) | 0.0201 (17) | −0.0008 (17) | −0.0016 (16) | −0.0024 (16) |
C7 | 0.0273 (19) | 0.030 (2) | 0.0197 (19) | 0.0031 (16) | 0.0014 (15) | −0.0020 (17) |
C8 | 0.030 (2) | 0.037 (3) | 0.033 (2) | 0.0056 (18) | −0.0033 (18) | 0.001 (2) |
C9 | 0.0306 (19) | 0.0218 (19) | 0.0266 (18) | 0.0040 (18) | −0.0030 (18) | 0.0026 (16) |
C10 | 0.0218 (19) | 0.031 (2) | 0.025 (2) | −0.0057 (15) | 0.0041 (17) | −0.0011 (19) |
C11 | 0.035 (2) | 0.036 (3) | 0.031 (2) | −0.0155 (18) | 0.0043 (18) | −0.002 (2) |
C12 | 0.042 (2) | 0.029 (2) | 0.029 (2) | −0.0080 (18) | 0.0054 (18) | −0.005 (2) |
C13 | 0.0201 (16) | 0.0251 (19) | 0.0218 (17) | −0.0024 (17) | 0.0021 (17) | −0.0026 (16) |
C14 | 0.025 (2) | 0.027 (2) | 0.0202 (18) | −0.0019 (14) | 0.0008 (14) | −0.0037 (17) |
C15 | 0.050 (3) | 0.035 (3) | 0.052 (3) | −0.009 (2) | −0.021 (2) | 0.007 (2) |
O1 | 0.0420 (16) | 0.0391 (18) | 0.0424 (18) | −0.0111 (14) | −0.0157 (13) | 0.0078 (17) |
C16 | 0.072 (3) | 0.054 (3) | 0.046 (3) | −0.011 (3) | 0.005 (3) | 0.005 (3) |
O2 | 0.078 (3) | 0.077 (3) | 0.057 (2) | 0.020 (2) | 0.0108 (19) | 0.013 (2) |
Pd1—N2 | 2.041 (3) | C8—C9 | 1.522 (6) |
Pd1—N4 | 2.044 (3) | C8—H8A | 0.980 |
Pd1—N1 | 2.056 (3) | C8—H8B | 0.980 |
Pd1—N3 | 2.059 (3) | C8—H8C | 0.980 |
N1—C3 | 1.496 (4) | C9—H9A | 0.990 |
N1—C2 | 1.501 (4) | C9—H9B | 0.990 |
N1—C6 | 1.521 (4) | C10—C11 | 1.527 (6) |
C1—C2 | 1.507 (5) | C10—H10A | 0.990 |
C1—H1A | 0.980 | C10—H10B | 0.990 |
C1—H1B | 0.980 | C11—C12 | 1.527 (5) |
C1—H1C | 0.980 | C11—H11A | 0.990 |
N2—C7 | 1.487 (4) | C11—H11B | 0.990 |
N2—H2A | 0.920 | C12—C13 | 1.539 (5) |
N2—H2B | 0.920 | C12—H12A | 0.990 |
C2—H2C | 0.990 | C12—H12B | 0.990 |
C2—H2D | 0.990 | C13—C14 | 1.513 (5) |
N3—C9 | 1.498 (4) | C13—H13 | 1.000 |
N3—C10 | 1.503 (5) | C14—H14A | 0.990 |
N3—C13 | 1.517 (4) | C14—H14B | 0.990 |
C3—C4 | 1.532 (5) | C15—O1 | 1.425 (5) |
C3—H3A | 0.990 | C15—H15A | 0.980 |
C3—H3B | 0.990 | C15—H15B | 0.980 |
N4—C14 | 1.484 (4) | C15—H15C | 0.980 |
N4—H4A | 0.920 | O1—H1 | 0.840 |
N4—H4B | 0.920 | C16—O2 | 1.390 (6) |
C4—C5 | 1.529 (5) | C16—H16A | 0.980 |
C4—H4C | 0.990 | C16—H16B | 0.980 |
C4—H4D | 0.990 | C16—H16C | 0.980 |
C5—C6 | 1.547 (5) | O2—H2 | 0.840 |
C5—H5A | 0.990 | C17—O3 | 1.419 (9) |
C5—H5B | 0.990 | C17—H17A | 0.980 |
C6—C7 | 1.515 (5) | C17—H17B | 0.980 |
C6—H6 | 1.000 | C17—H17C | 0.980 |
C7—H7A | 0.990 | O3—H3 | 0.840 |
C7—H7B | 0.990 | O3'—H3' | 0.840 |
N2—Pd1—N4 | 177.17 (11) | C5—C6—H6 | 110.4 |
N2—Pd1—N1 | 83.80 (12) | N2—C7—C6 | 108.5 (3) |
N4—Pd1—N1 | 96.36 (12) | N2—C7—H7A | 110.0 |
N2—Pd1—N3 | 96.33 (12) | C6—C7—H7A | 110.0 |
N4—Pd1—N3 | 83.80 (12) | N2—C7—H7B | 110.0 |
N1—Pd1—N3 | 174.09 (12) | C6—C7—H7B | 110.0 |
C3—N1—C2 | 109.3 (3) | H7A—C7—H7B | 108.4 |
C3—N1—C6 | 102.9 (3) | C9—C8—H8A | 109.5 |
C2—N1—C6 | 109.4 (3) | C9—C8—H8B | 109.5 |
C3—N1—Pd1 | 109.2 (2) | H8A—C8—H8B | 109.5 |
C2—N1—Pd1 | 115.3 (2) | C9—C8—H8C | 109.5 |
C6—N1—Pd1 | 110.02 (19) | H8A—C8—H8C | 109.5 |
C2—C1—H1A | 109.5 | H8B—C8—H8C | 109.5 |
C2—C1—H1B | 109.5 | N3—C9—C8 | 113.3 (3) |
H1A—C1—H1B | 109.5 | N3—C9—H9A | 108.9 |
C2—C1—H1C | 109.5 | C8—C9—H9A | 108.9 |
H1A—C1—H1C | 109.5 | N3—C9—H9B | 108.9 |
H1B—C1—H1C | 109.5 | C8—C9—H9B | 108.9 |
C7—N2—Pd1 | 107.9 (2) | H9A—C9—H9B | 107.7 |
C7—N2—H2A | 110.1 | N3—C10—C11 | 105.8 (3) |
Pd1—N2—H2A | 110.1 | N3—C10—H10A | 110.6 |
C7—N2—H2B | 110.1 | C11—C10—H10A | 110.6 |
Pd1—N2—H2B | 110.1 | N3—C10—H10B | 110.6 |
H2A—N2—H2B | 108.4 | C11—C10—H10B | 110.6 |
N1—C2—C1 | 113.5 (3) | H10A—C10—H10B | 108.7 |
N1—C2—H2C | 108.9 | C10—C11—C12 | 105.0 (3) |
C1—C2—H2C | 108.9 | C10—C11—H11A | 110.8 |
N1—C2—H2D | 108.9 | C12—C11—H11A | 110.8 |
C1—C2—H2D | 108.9 | C10—C11—H11B | 110.8 |
H2C—C2—H2D | 107.7 | C12—C11—H11B | 110.8 |
C9—N3—C10 | 109.4 (3) | H11A—C11—H11B | 108.8 |
C9—N3—C13 | 110.3 (3) | C11—C12—C13 | 106.2 (3) |
C10—N3—C13 | 102.5 (3) | C11—C12—H12A | 110.5 |
C9—N3—Pd1 | 114.4 (2) | C13—C12—H12A | 110.5 |
C10—N3—Pd1 | 110.0 (2) | C11—C12—H12B | 110.5 |
C13—N3—Pd1 | 109.6 (2) | C13—C12—H12B | 110.5 |
N1—C3—C4 | 105.4 (3) | H12A—C12—H12B | 108.7 |
N1—C3—H3A | 110.7 | C14—C13—N3 | 108.3 (3) |
C4—C3—H3A | 110.7 | C14—C13—C12 | 112.8 (3) |
N1—C3—H3B | 110.7 | N3—C13—C12 | 105.5 (3) |
C4—C3—H3B | 110.7 | C14—C13—H13 | 110.0 |
H3A—C3—H3B | 108.8 | N3—C13—H13 | 110.0 |
C14—N4—Pd1 | 107.8 (2) | C12—C13—H13 | 110.0 |
C14—N4—H4A | 110.1 | N4—C14—C13 | 108.2 (3) |
Pd1—N4—H4A | 110.1 | N4—C14—H14A | 110.1 |
C14—N4—H4B | 110.1 | C13—C14—H14A | 110.1 |
Pd1—N4—H4B | 110.1 | N4—C14—H14B | 110.1 |
H4A—N4—H4B | 108.5 | C13—C14—H14B | 110.1 |
C5—C4—C3 | 105.2 (3) | H14A—C14—H14B | 108.4 |
C5—C4—H4C | 110.7 | O1—C15—H15A | 109.5 |
C3—C4—H4C | 110.7 | O1—C15—H15B | 109.5 |
C5—C4—H4D | 110.7 | H15A—C15—H15B | 109.5 |
C3—C4—H4D | 110.7 | O1—C15—H15C | 109.5 |
H4C—C4—H4D | 108.8 | H15A—C15—H15C | 109.5 |
C4—C5—C6 | 105.7 (3) | H15B—C15—H15C | 109.5 |
C4—C5—H5A | 110.6 | C15—O1—H1 | 109.5 |
C6—C5—H5A | 110.6 | O2—C16—H16A | 109.5 |
C4—C5—H5B | 110.6 | O2—C16—H16B | 109.5 |
C6—C5—H5B | 110.6 | H16A—C16—H16B | 109.5 |
H5A—C5—H5B | 108.7 | O2—C16—H16C | 109.5 |
C7—C6—N1 | 107.9 (3) | H16A—C16—H16C | 109.5 |
C7—C6—C5 | 111.8 (3) | H16B—C16—H16C | 109.5 |
N1—C6—C5 | 105.8 (3) | C16—O2—H2 | 109.5 |
C7—C6—H6 | 110.4 | C17—O3—H3 | 109.5 |
N1—C6—H6 | 110.4 | ||
N2—Pd1—N1—C3 | −107.7 (2) | C3—N1—C6—C5 | −33.8 (3) |
N4—Pd1—N1—C3 | 75.1 (2) | C2—N1—C6—C5 | 82.3 (3) |
N2—Pd1—N1—C2 | 128.8 (2) | Pd1—N1—C6—C5 | −150.1 (2) |
N4—Pd1—N1—C2 | −48.4 (2) | C4—C5—C6—C7 | −101.5 (4) |
N2—Pd1—N1—C6 | 4.5 (2) | C4—C5—C6—N1 | 15.7 (4) |
N4—Pd1—N1—C6 | −172.6 (2) | Pd1—N2—C7—C6 | −45.9 (3) |
N1—Pd1—N2—C7 | 22.7 (2) | N1—C6—C7—N2 | 50.1 (4) |
N3—Pd1—N2—C7 | −151.4 (2) | C5—C6—C7—N2 | 166.0 (3) |
C3—N1—C2—C1 | −171.5 (3) | C10—N3—C9—C8 | −175.0 (3) |
C6—N1—C2—C1 | 76.6 (4) | C13—N3—C9—C8 | 73.0 (4) |
Pd1—N1—C2—C1 | −48.0 (4) | Pd1—N3—C9—C8 | −51.1 (4) |
N2—Pd1—N3—C9 | −48.0 (2) | C9—N3—C10—C11 | −78.2 (4) |
N4—Pd1—N3—C9 | 129.1 (2) | C13—N3—C10—C11 | 38.9 (4) |
N2—Pd1—N3—C10 | 75.6 (3) | Pd1—N3—C10—C11 | 155.4 (3) |
N4—Pd1—N3—C10 | −107.3 (3) | N3—C10—C11—C12 | −27.7 (4) |
N2—Pd1—N3—C13 | −172.5 (2) | C10—C11—C12—C13 | 5.4 (4) |
N4—Pd1—N3—C13 | 4.7 (2) | C9—N3—C13—C14 | −157.6 (3) |
C2—N1—C3—C4 | −76.9 (4) | C10—N3—C13—C14 | 86.0 (3) |
C6—N1—C3—C4 | 39.2 (3) | Pd1—N3—C13—C14 | −30.8 (3) |
Pd1—N1—C3—C4 | 156.1 (2) | C9—N3—C13—C12 | 81.4 (4) |
N1—Pd1—N4—C14 | −151.3 (2) | C10—N3—C13—C12 | −35.0 (4) |
N3—Pd1—N4—C14 | 22.8 (2) | Pd1—N3—C13—C12 | −151.8 (2) |
N1—C3—C4—C5 | −29.6 (4) | C11—C12—C13—C14 | −99.7 (4) |
C3—C4—C5—C6 | 8.2 (4) | C11—C12—C13—N3 | 18.4 (4) |
C3—N1—C6—C7 | 86.0 (3) | Pd1—N4—C14—C13 | −46.1 (3) |
C2—N1—C6—C7 | −157.9 (3) | N3—C13—C14—N4 | 50.8 (4) |
Pd1—N1—C6—C7 | −30.3 (3) | C12—C13—C14—N4 | 167.2 (3) |
D—H···A | D—H | H···A | D···A | D—H···A |
N2—H2A···Cl1i | 0.92 | 2.35 | 3.225 (3) | 159 |
N2—H2B···O1ii | 0.92 | 2.07 | 2.949 (4) | 160 |
N4—H4A···Cl2iii | 0.92 | 2.37 | 3.240 (3) | 158 |
N4—H4B···Cl2 | 0.92 | 2.36 | 3.222 (3) | 156 |
O1—H1···Cl1 | 0.84 | 2.31 | 3.127 (3) | 166 |
O2—H2···Cl1 | 0.84 | 2.37 | 3.205 (4) | 176 |
O3—H3···Cl2iv | 0.84 | 2.40 | 3.146 (8) | 148 |
O3′—H3′···Cl2iv | 0.84 | 2.50 | 3.224 (8) | 145 |
Symmetry codes: (i) −x+1, y+1/2, −z+1/2; (ii) −x+2, y+1/2, −z+1/2; (iii) x−1/2, −y+3/2, −z; (iv) x, y, z+1. |