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The title compound, [Pd(C14H12N4O2)]·H2O·0.5CHCl3, features a Pd2+ metal center chelated by the four N atoms of the organic ligand N,N'-bis(2-pyridyl­methyl)­ox­amide. The asymmetric unit is composed of two similar independent Pd(C14H12N4O2) mol­ecules, two water mol­ecules and one mol­ecule of CHCl3. Hydro­gen bonds between the carbonyl O atoms of the chelating ligand and the water molecules link the mol­ecules into two-dimensional layers parallel to the crystallographic ac plane.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S160053680301609X/ac6053sup1.cif
Contains datablocks global, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S160053680301609X/ac6053Isup2.hkl
Contains datablock I

CCDC reference: 221650

Key indicators

  • Single-crystal X-ray study
  • T = 150 K
  • Mean [sigma](C-C) = 0.003 Å
  • R factor = 0.024
  • wR factor = 0.062
  • Data-to-parameter ratio = 14.4

checkCIF results

No syntax errors found

ADDSYM reports no extra symmetry


Yellow Alert Alert Level C:
PLAT_369 Alert C Long C(sp2)-C(sp2) Bond C7 - C8 = 1.55 Ang. PLAT_369 Alert C Long C(sp2)-C(sp2) Bond C21 - C22 = 1.55 Ang. PLAT_731 Alert C Bond Calc 0.83(3), Rep 0.835(14) ...... 2.14 su-Rat O6 -H6B 1.555 1.555 PLAT_735 Alert C D-H Calc 0.83(3), Rep 0.835(14) ...... 2.14 su-Rat O6 -H6B 1.555 1.555
0 Alert Level A = Potentially serious problem
0 Alert Level B = Potential problem
4 Alert Level C = Please check

Computing details top

Data collection: SMART-NT (Bruker, 1999); cell refinement: SAINT-Plus-NT (Bruker, 1999); data reduction: SAINT-Plus-NT; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997a); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997a); molecular graphics: ATOMS (Dowty, 2001); software used to prepare material for publication: SHELXTL (Sheldrick, 1997b).

(N,N'-bis(2-pyridylmethyl)oxamide)palladium(II) hydrate chloroform hemisolvate top
Crystal data top
[Pd(C14H12N4O2)]·H2O·0.5CHCl3Z = 4
Mr = 452.38F(000) = 900
Triclinic, P1Dx = 1.893 Mg m3
Hall symbol: -P 1Mo Kα radiation, λ = 0.71073 Å
a = 7.3145 (5) ÅCell parameters from 6121 reflections
b = 10.2252 (6) Åθ = 2.4–26.4°
c = 21.7212 (14) ŵ = 1.44 mm1
α = 80.233 (2)°T = 150 K
β = 89.126 (2)°Irregular, yellow
γ = 82.418 (2)°0.32 × 0.22 × 0.16 mm
V = 1586.99 (18) Å3
Data collection top
Bruker SMART APEX CCD
diffractometer
6448 independent reflections
Radiation source: sealed tube6116 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.020
ω scansθmax = 26.4°, θmin = 1.9°
Absorption correction: multi-scan
(SADABS; Bruker, 1999)
h = 99
Tmin = 0.649, Tmax = 0.794k = 1212
14485 measured reflectionsl = 2727
Refinement top
Refinement on F2Primary atom site location: structure-invariant direct methods
Least-squares matrix: fullSecondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.024Hydrogen site location: geom & difmap
wR(F2) = 0.062H atoms treated by a mixture of independent and constrained refinement
S = 1.06 w = 1/[σ2(Fo2) + (0.0295P)2 + 1.3475P]
where P = (Fo2 + 2Fc2)/3
6448 reflections(Δ/σ)max = 0.001
449 parametersΔρmax = 0.54 e Å3
6 restraintsΔρmin = 0.59 e Å3
Special details top

Geometry. ## Least-squares planes

Least-squares planes (x,y,z in crystal coordinates) and deviations from them (* indicates atom used to define plane)

#

6.7321 (0.0008) x - 2.5582 (0.0021) y - 3.4504 (0.0048) z = 0.3637 (0.0015)

* 0.1093 (0.0005) Pd1 * 0.0356 (0.0022) C1 * 0.0019 (0.0022) C2 * -0.0210 (0.0022) C3 * -0.0330 (0.0022) C4 * -0.0077 (0.0020) C5 * -0.0195 (0.0022) C6 * -0.0295 (0.0021) C7 * 0.0230 (0.0022) C8 * 0.0720 (0.0023) C9 * 0.0420 (0.0021) C10 * -0.0240 (0.0023) C11 * -0.1008 (0.0023) C12 * -0.1087 (0.0022) C13 * -0.0110 (0.0022) C14 * 0.0341 (0.0018) N1 * 0.0781 (0.0019) N2 * 0.1095 (0.0019) N3 * 0.0624 (0.0018) N4 * -0.1836 (0.0018) O1 * -0.0290 (0.0019) O2

Rms deviation of fitted atoms = 0.0703

#

6.6331 (0.0008) x + 5.2942 (0.0018) y + 4.5122 (0.0044) z = 9.1975 (0.0028)

Angle to previous plane (with approximate e.s.d.) = 47.94 (0.01)

* -0.0058 (0.0004) Pd2 * 0.0465 (0.0021) C15 * 0.0275 (0.0020) C16 * -0.0177 (0.0020) C17 * -0.0443 (0.0021) C18 * -0.0342 (0.0020) C19 * -0.0882 (0.0022) C20 * 0.0289 (0.0019) C21 * 0.0249 (0.0020) C22 * -0.1035 (0.0022) C23 * -0.0444 (0.0020) C24 * -0.0998 (0.0021) C25 * -0.0277 (0.0020) C26 * 0.0933 (0.0020) C27 * 0.1109 (0.0021) C28 * 0.0116 (0.0018) N5 * -0.0731 (0.0019) N6 * -0.0654 (0.0019) N7 * 0.0392 (0.0018) N8 * 0.1233 (0.0016) O3 * 0.0980 (0.0017) O4

Rms deviation of fitted atoms = 0.0677

#####

6.6681 (0.0028) x - 2.7182 (0.0090) y - 3.9365 (0.0210) z = 0.3152 (0.0032)

* 0.0042 (0.0015) N1 * 0.0007 (0.0016) C1 * -0.0056 (0.0017) C2 * 0.0056 (0.0017) C3 * -0.0008 (0.0017) C4 * -0.0041 (0.0015) C5

Rms deviation of fitted atoms = 0.0040

#

6.7765 (0.0028) x - 2.5375 (0.0101) y - 2.0415 (0.0209) z = 0.5851 (0.0086)

Angle to previous plane (with approximate e.s.d.) = 5.06 (0.10)

* 0.0042 (0.0015) N4 * -0.0099 (0.0016) C10 * 0.0054 (0.0018) C11 * 0.0044 (0.0018) C12 * -0.0100 (0.0018) C13 * 0.0059 (0.0017) C14

Rms deviation of fitted atoms = 0.0071

#####

6.6606 (0.0028) x + 5.3077 (0.0079) y + 3.7922 (0.0204) z = 8.8967 (0.0138)

* -0.0014 (0.0014) N5 * 0.0035 (0.0016) C15 * -0.0021 (0.0016) C16 * -0.0013 (0.0016) C17 * 0.0033 (0.0016) C18 * -0.0021 (0.0015) C19

Rms deviation of fitted atoms = 0.0024

#

6.8461 (0.0025) x + 4.5985 (0.0088) y + 4.1992 (0.0192) z = 8.5400 (0.0140)

Angle to previous plane (with approximate e.s.d.) = 4.79 (0.09)

* -0.0077 (0.0014) N8 * 0.0128 (0.0015) C24 * -0.0064 (0.0016) C25 * -0.0048 (0.0016) C26 * 0.0098 (0.0016) C27 * -0.0038 (0.0016) C28

Rms deviation of fitted atoms = 0.0081

#####

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.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
Pd10.29493 (2)0.582220 (16)0.006690 (7)0.01718 (6)
C10.1961 (3)0.2943 (2)0.04870 (12)0.0245 (5)
H10.22450.30320.09020.029*
C20.1409 (4)0.1759 (3)0.03850 (13)0.0306 (6)
H20.13020.10520.07230.037*
C30.1014 (3)0.1622 (2)0.02181 (14)0.0309 (6)
H30.06510.08110.03020.037*
C40.1150 (3)0.2673 (3)0.06970 (13)0.0275 (5)
H40.08690.25950.11140.033*
C50.1700 (3)0.3849 (2)0.05679 (11)0.0208 (5)
C60.1859 (3)0.5011 (2)0.10862 (11)0.0236 (5)
H6C0.27160.47220.14090.028*
H6D0.06370.53380.12850.028*
C70.2673 (3)0.7275 (2)0.11457 (11)0.0234 (5)
C80.3323 (3)0.8223 (2)0.07333 (12)0.0247 (5)
C90.3989 (3)0.8311 (2)0.03579 (12)0.0262 (5)
H9A0.31050.91330.03590.031*
H9B0.52430.85730.02960.031*
C100.3905 (3)0.7381 (2)0.09720 (12)0.0241 (5)
C110.4248 (4)0.7784 (3)0.15324 (13)0.0327 (6)
H110.45880.86500.15320.039*
C120.4097 (4)0.6938 (3)0.20875 (13)0.0360 (6)
H120.43280.72090.24730.043*
C130.3603 (3)0.5685 (3)0.20750 (12)0.0318 (6)
H130.34620.50880.24530.038*
C140.3315 (3)0.5311 (3)0.15089 (11)0.0250 (5)
H140.30060.44390.15050.030*
N10.2115 (3)0.39790 (19)0.00236 (9)0.0201 (4)
N20.2538 (3)0.6069 (2)0.08289 (9)0.0224 (4)
N30.3534 (3)0.76409 (19)0.01415 (10)0.0232 (4)
N40.3455 (3)0.6133 (2)0.09597 (9)0.0206 (4)
O10.2308 (3)0.76720 (19)0.17076 (8)0.0358 (4)
O20.3570 (3)0.93793 (19)0.09586 (10)0.0387 (5)
Pd20.31091 (2)0.935265 (15)0.482672 (7)0.01551 (5)
C150.0897 (3)1.2047 (2)0.50333 (11)0.0205 (4)
H150.09401.16970.54680.025*
C160.0011 (3)1.3317 (2)0.48363 (11)0.0229 (5)
H160.05891.38240.51310.028*
C170.0072 (3)1.3845 (2)0.42056 (12)0.0233 (5)
H170.06881.47180.40600.028*
C180.0787 (3)1.3072 (2)0.37906 (11)0.0214 (5)
H180.07731.34140.33560.026*
C190.1670 (3)1.1794 (2)0.40149 (10)0.0185 (4)
C200.2582 (3)1.0927 (2)0.35713 (10)0.0196 (4)
H20A0.16621.07800.32690.024*
H20B0.35591.13760.33350.024*
C210.4439 (3)0.8722 (2)0.36892 (10)0.0180 (4)
C220.5091 (3)0.7473 (2)0.41868 (11)0.0193 (4)
C230.4807 (3)0.6628 (2)0.53109 (10)0.0201 (4)
H23A0.61510.63480.53660.024*
H23B0.42130.58280.52750.024*
C240.4042 (3)0.7225 (2)0.58660 (10)0.0183 (4)
C250.4154 (3)0.6471 (2)0.64637 (11)0.0223 (5)
H250.47040.55630.65270.027*
C260.3462 (3)0.7047 (2)0.69646 (11)0.0234 (5)
H260.35370.65420.73750.028*
C270.2655 (3)0.8376 (2)0.68608 (11)0.0221 (5)
H270.21900.88000.71980.026*
C280.2544 (3)0.9062 (2)0.62565 (11)0.0204 (5)
H280.19720.99650.61840.024*
N50.1725 (2)1.12833 (18)0.46343 (9)0.0179 (4)
N60.3377 (3)0.96565 (18)0.39279 (9)0.0192 (4)
N70.4455 (3)0.76198 (18)0.47499 (9)0.0199 (4)
N80.3210 (2)0.85142 (18)0.57619 (9)0.0175 (4)
O30.4915 (2)0.87758 (16)0.31343 (7)0.0236 (3)
O40.6081 (2)0.64925 (16)0.40431 (8)0.0273 (4)
O50.1156 (3)0.2850 (2)0.21671 (10)0.0396 (5)
H5A0.016 (3)0.263 (3)0.2054 (17)0.054 (11)*
H5B0.199 (4)0.221 (3)0.2139 (19)0.066 (13)*
O60.4016 (3)0.0808 (2)0.20769 (10)0.0411 (5)
H6A0.427 (4)0.025 (3)0.2395 (10)0.043 (9)*
H6B0.489 (4)0.095 (4)0.1834 (15)0.070 (13)*
C290.1266 (3)0.7463 (2)0.28434 (12)0.0264 (5)
H290.24590.75470.30740.032*
Cl10.13785 (12)0.87710 (7)0.21978 (3)0.04359 (18)
Cl20.09492 (9)0.58953 (6)0.25947 (3)0.03162 (14)
Cl30.05370 (10)0.75798 (9)0.33562 (3)0.04393 (18)
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Pd10.01880 (9)0.01703 (9)0.01537 (9)0.00191 (6)0.00091 (6)0.00205 (6)
C10.0232 (12)0.0234 (12)0.0255 (12)0.0006 (9)0.0026 (9)0.0024 (10)
C20.0278 (13)0.0219 (12)0.0409 (15)0.0021 (10)0.0078 (11)0.0032 (11)
C30.0263 (13)0.0207 (12)0.0484 (17)0.0042 (10)0.0027 (11)0.0130 (11)
C40.0234 (12)0.0289 (13)0.0328 (14)0.0022 (10)0.0011 (10)0.0137 (11)
C50.0157 (10)0.0241 (12)0.0226 (12)0.0014 (9)0.0007 (9)0.0070 (9)
C60.0246 (12)0.0277 (12)0.0188 (11)0.0010 (9)0.0021 (9)0.0067 (9)
C70.0218 (11)0.0251 (12)0.0206 (12)0.0008 (9)0.0042 (9)0.0006 (9)
C80.0205 (11)0.0246 (12)0.0265 (13)0.0015 (9)0.0016 (9)0.0016 (10)
C90.0245 (12)0.0200 (11)0.0346 (14)0.0020 (9)0.0071 (10)0.0063 (10)
C100.0166 (11)0.0260 (12)0.0305 (13)0.0007 (9)0.0008 (9)0.0096 (10)
C110.0294 (13)0.0372 (15)0.0353 (15)0.0012 (11)0.0039 (11)0.0192 (12)
C120.0290 (13)0.0567 (18)0.0272 (14)0.0022 (12)0.0013 (11)0.0231 (13)
C130.0252 (12)0.0493 (16)0.0197 (12)0.0005 (11)0.0006 (10)0.0056 (11)
C140.0219 (11)0.0323 (13)0.0205 (12)0.0033 (10)0.0006 (9)0.0032 (10)
N10.0182 (9)0.0199 (9)0.0220 (10)0.0007 (7)0.0004 (7)0.0044 (8)
N20.0265 (10)0.0248 (10)0.0160 (9)0.0028 (8)0.0000 (8)0.0039 (8)
N30.0252 (10)0.0180 (9)0.0264 (11)0.0038 (8)0.0014 (8)0.0032 (8)
N40.0175 (9)0.0244 (10)0.0202 (10)0.0011 (7)0.0013 (7)0.0056 (8)
O10.0494 (12)0.0366 (10)0.0181 (9)0.0031 (9)0.0006 (8)0.0026 (8)
O20.0509 (12)0.0251 (10)0.0382 (11)0.0116 (8)0.0059 (9)0.0059 (8)
Pd20.01805 (9)0.01539 (9)0.01291 (9)0.00153 (6)0.00101 (6)0.00250 (6)
C150.0220 (11)0.0219 (11)0.0181 (11)0.0033 (9)0.0004 (9)0.0041 (9)
C160.0226 (11)0.0212 (11)0.0263 (12)0.0018 (9)0.0003 (9)0.0085 (9)
C170.0217 (11)0.0184 (11)0.0294 (13)0.0016 (9)0.0034 (9)0.0032 (9)
C180.0224 (11)0.0212 (11)0.0196 (11)0.0026 (9)0.0021 (9)0.0012 (9)
C190.0165 (10)0.0215 (11)0.0179 (11)0.0042 (8)0.0006 (8)0.0033 (9)
C200.0223 (11)0.0211 (11)0.0146 (10)0.0021 (9)0.0011 (8)0.0012 (9)
C210.0179 (10)0.0200 (11)0.0180 (11)0.0064 (8)0.0011 (8)0.0056 (9)
C220.0204 (11)0.0184 (11)0.0204 (11)0.0055 (9)0.0004 (9)0.0048 (9)
C230.0228 (11)0.0180 (11)0.0187 (11)0.0011 (9)0.0009 (9)0.0021 (9)
C240.0177 (10)0.0184 (11)0.0200 (11)0.0050 (8)0.0006 (8)0.0044 (9)
C250.0258 (12)0.0198 (11)0.0202 (11)0.0022 (9)0.0016 (9)0.0010 (9)
C260.0276 (12)0.0272 (12)0.0149 (11)0.0061 (10)0.0011 (9)0.0001 (9)
C270.0243 (12)0.0251 (12)0.0182 (11)0.0057 (9)0.0017 (9)0.0061 (9)
C280.0212 (11)0.0202 (11)0.0207 (11)0.0038 (9)0.0004 (9)0.0056 (9)
N50.0179 (9)0.0188 (9)0.0175 (9)0.0025 (7)0.0000 (7)0.0040 (7)
N60.0241 (10)0.0179 (9)0.0146 (9)0.0007 (7)0.0011 (7)0.0018 (7)
N70.0242 (10)0.0173 (9)0.0173 (9)0.0001 (7)0.0019 (7)0.0025 (7)
N80.0184 (9)0.0181 (9)0.0156 (9)0.0027 (7)0.0001 (7)0.0017 (7)
O30.0292 (9)0.0249 (8)0.0166 (8)0.0018 (7)0.0039 (7)0.0048 (7)
O40.0358 (10)0.0211 (8)0.0236 (9)0.0018 (7)0.0076 (7)0.0048 (7)
O50.0397 (12)0.0348 (11)0.0408 (12)0.0013 (9)0.0015 (10)0.0012 (9)
O60.0451 (12)0.0426 (12)0.0280 (11)0.0061 (10)0.0087 (9)0.0059 (9)
C290.0269 (12)0.0289 (13)0.0247 (12)0.0045 (10)0.0018 (10)0.0081 (10)
Cl10.0623 (5)0.0313 (3)0.0354 (4)0.0028 (3)0.0091 (3)0.0039 (3)
Cl20.0387 (3)0.0266 (3)0.0298 (3)0.0015 (2)0.0022 (3)0.0073 (2)
Cl30.0362 (4)0.0681 (5)0.0347 (4)0.0169 (3)0.0010 (3)0.0214 (4)
Geometric parameters (Å, º) top
Pd1—N31.9402 (19)C15—N51.348 (3)
Pd1—N21.9420 (19)C15—C161.379 (3)
Pd1—N42.0640 (19)C15—H150.9500
Pd1—N12.0734 (19)C16—C171.384 (3)
C1—N11.347 (3)C16—H160.9500
C1—C21.378 (4)C17—C181.388 (3)
C1—H10.9500C17—H170.9500
C2—C31.380 (4)C18—C191.390 (3)
C2—H20.9500C18—H180.9500
C3—C41.376 (4)C19—N51.357 (3)
C3—H30.9500C19—C201.508 (3)
C4—C51.390 (3)C20—N61.449 (3)
C4—H40.9500C20—H20A0.9900
C5—N11.357 (3)C20—H20B0.9900
C5—C61.507 (3)C21—O31.244 (3)
C6—N21.444 (3)C21—N61.322 (3)
C6—H6C0.9900C21—C221.554 (3)
C6—H6D0.9900C22—O41.239 (3)
C7—O11.241 (3)C22—N71.327 (3)
C7—N21.321 (3)C23—N71.450 (3)
C7—C81.549 (4)C23—C241.510 (3)
C8—O21.236 (3)C23—H23A0.9900
C8—N31.324 (3)C23—H23B0.9900
C9—N31.442 (3)C24—N81.360 (3)
C9—C101.507 (4)C24—C251.391 (3)
C9—H9A0.9900C25—C261.382 (3)
C9—H9B0.9900C25—H250.9500
C10—N41.364 (3)C26—C271.390 (3)
C10—C111.386 (4)C26—H260.9500
C11—C121.372 (4)C27—C281.378 (3)
C11—H110.9500C27—H270.9500
C12—C131.381 (4)C28—N81.350 (3)
C12—H120.9500C28—H280.9500
C13—C141.375 (3)O5—H5A0.841 (18)
C13—H130.9500O5—H5B0.844 (18)
C14—N41.348 (3)O6—H6A0.824 (14)
C14—H140.9500O6—H6B0.835 (14)
Pd2—N61.9352 (18)C29—Cl11.761 (3)
Pd2—N71.9420 (18)C29—Cl21.763 (2)
Pd2—N82.0648 (18)C29—Cl31.768 (3)
Pd2—N52.0741 (18)C29—H291.0000
N3—Pd1—N282.09 (8)N7—Pd2—N5163.67 (8)
N3—Pd1—N481.72 (8)N8—Pd2—N5114.46 (7)
N2—Pd1—N4163.65 (8)N5—C15—C16122.6 (2)
N3—Pd1—N1163.68 (8)N5—C15—H15118.7
N2—Pd1—N181.70 (8)C16—C15—H15118.7
N4—Pd1—N1114.40 (8)C15—C16—C17119.3 (2)
N1—C1—C2122.8 (2)C15—C16—H16120.3
N1—C1—H1118.6C17—C16—H16120.3
C2—C1—H1118.6C16—C17—C18118.6 (2)
C1—C2—C3118.7 (2)C16—C17—H17120.7
C1—C2—H2120.6C18—C17—H17120.7
C3—C2—H2120.6C17—C18—C19119.6 (2)
C4—C3—C2119.3 (2)C17—C18—H18120.2
C4—C3—H3120.3C19—C18—H18120.2
C2—C3—H3120.3N5—C19—C18121.5 (2)
C3—C4—C5119.6 (2)N5—C19—C20118.01 (19)
C3—C4—H4120.2C18—C19—C20120.5 (2)
C5—C4—H4120.2N6—C20—C19108.85 (18)
N1—C5—C4121.2 (2)N6—C20—H20A109.9
N1—C5—C6118.4 (2)C19—C20—H20A109.9
C4—C5—C6120.5 (2)N6—C20—H20B109.9
N2—C6—C5108.97 (19)C19—C20—H20B109.9
N2—C6—H6C109.9H20A—C20—H20B108.3
C5—C6—H6C109.9O3—C21—N6126.5 (2)
N2—C6—H6D109.9O3—C21—C22120.98 (19)
C5—C6—H6D109.9N6—C21—C22112.51 (19)
H6C—C6—H6D108.3O4—C22—N7127.2 (2)
O1—C7—N2126.5 (2)O4—C22—C21121.2 (2)
O1—C7—C8120.9 (2)N7—C22—C21111.61 (18)
N2—C7—C8112.6 (2)N7—C23—C24109.03 (18)
O2—C8—N3127.1 (2)N7—C23—H23A109.9
O2—C8—C7121.1 (2)C24—C23—H23A109.9
N3—C8—C7111.8 (2)N7—C23—H23B109.9
N3—C9—C10109.15 (19)C24—C23—H23B109.9
N3—C9—H9A109.9H23A—C23—H23B108.3
C10—C9—H9A109.9N8—C24—C25121.1 (2)
N3—C9—H9B109.9N8—C24—C23117.99 (19)
C10—C9—H9B109.9C25—C24—C23120.9 (2)
H9A—C9—H9B108.3C26—C25—C24119.7 (2)
N4—C10—C11121.0 (2)C26—C25—H25120.1
N4—C10—C9117.8 (2)C24—C25—H25120.1
C11—C10—C9121.2 (2)C25—C26—C27119.2 (2)
C12—C11—C10120.2 (3)C25—C26—H26120.4
C12—C11—H11119.9C27—C26—H26120.4
C10—C11—H11119.9C28—C27—C26118.4 (2)
C11—C12—C13118.7 (2)C28—C27—H27120.8
C11—C12—H12120.6C26—C27—H27120.8
C13—C12—H12120.6N8—C28—C27123.2 (2)
C14—C13—C12119.3 (3)N8—C28—H28118.4
C14—C13—H13120.4C27—C28—H28118.4
C12—C13—H13120.4C15—N5—C19118.35 (19)
N4—C14—C13122.6 (2)C15—N5—Pd2128.92 (16)
N4—C14—H14118.7C19—N5—Pd2112.73 (14)
C13—C14—H14118.7C21—N6—C20124.29 (19)
C1—N1—C5118.3 (2)C21—N6—Pd2116.45 (15)
C1—N1—Pd1129.33 (16)C20—N6—Pd2118.92 (14)
C5—N1—Pd1112.33 (15)C22—N7—C23124.93 (19)
C7—N2—C6124.5 (2)C22—N7—Pd2116.57 (15)
C7—N2—Pd1116.36 (16)C23—N7—Pd2118.33 (14)
C6—N2—Pd1118.55 (15)C28—N8—C24118.39 (19)
C8—N3—C9124.2 (2)C28—N8—Pd2128.88 (15)
C8—N3—Pd1116.86 (16)C24—N8—Pd2112.72 (14)
C9—N3—Pd1118.62 (16)H5A—O5—H5B108 (3)
C14—N4—C10118.1 (2)H6A—O6—H6B116 (3)
C14—N4—Pd1129.10 (17)Cl1—C29—Cl2110.62 (14)
C10—N4—Pd1112.69 (16)Cl1—C29—Cl3110.38 (14)
N6—Pd2—N782.19 (8)Cl2—C29—Cl3110.34 (14)
N6—Pd2—N8164.04 (8)Cl1—C29—H29108.5
N7—Pd2—N881.85 (7)Cl2—C29—H29108.5
N6—Pd2—N581.49 (7)Cl3—C29—H29108.5
N1—C1—C2—C30.7 (4)N5—C15—C16—C170.6 (4)
C1—C2—C3—C41.1 (4)C15—C16—C17—C180.1 (3)
C2—C3—C4—C50.7 (4)C16—C17—C18—C190.4 (3)
C3—C4—C5—N10.3 (3)C17—C18—C19—N50.5 (3)
C3—C4—C5—C6180.0 (2)C17—C18—C19—C20178.9 (2)
N1—C5—C6—N22.5 (3)N5—C19—C20—N60.2 (3)
C4—C5—C6—N2177.2 (2)C18—C19—C20—N6179.6 (2)
O1—C7—C8—O23.2 (4)O3—C21—C22—O40.9 (3)
N2—C7—C8—O2178.1 (2)N6—C21—C22—O4179.2 (2)
O1—C7—C8—N3176.1 (2)O3—C21—C22—N7179.1 (2)
N2—C7—C8—N32.6 (3)N6—C21—C22—N70.7 (3)
N3—C9—C10—N40.4 (3)N7—C23—C24—N80.4 (3)
N3—C9—C10—C11178.7 (2)N7—C23—C24—C25178.4 (2)
N4—C10—C11—C121.5 (4)N8—C24—C25—C262.0 (3)
C9—C10—C11—C12177.6 (2)C23—C24—C25—C26179.2 (2)
C10—C11—C12—C130.1 (4)C24—C25—C26—C270.3 (4)
C11—C12—C13—C141.4 (4)C25—C26—C27—C281.2 (3)
C12—C13—C14—N41.6 (4)C26—C27—C28—N81.2 (3)
C2—C1—N1—C50.3 (3)C16—C15—N5—C190.5 (3)
C2—C1—N1—Pd1178.97 (17)C16—C15—N5—Pd2178.70 (17)
C4—C5—N1—C10.7 (3)C18—C19—N5—C150.1 (3)
C6—C5—N1—C1179.6 (2)C20—C19—N5—C15179.3 (2)
C4—C5—N1—Pd1178.63 (17)C18—C19—N5—Pd2179.37 (17)
C6—C5—N1—Pd11.1 (2)C20—C19—N5—Pd20.0 (2)
N3—Pd1—N1—C1174.7 (2)N6—Pd2—N5—C15179.4 (2)
N2—Pd1—N1—C1178.8 (2)N7—Pd2—N5—C15176.9 (2)
N4—Pd1—N1—C14.2 (2)N8—Pd2—N5—C150.1 (2)
N3—Pd1—N1—C56.0 (4)N6—Pd2—N5—C190.21 (15)
N2—Pd1—N1—C50.43 (15)N7—Pd2—N5—C192.3 (4)
N4—Pd1—N1—C5176.57 (14)N8—Pd2—N5—C19179.29 (14)
O1—C7—N2—C62.5 (4)O3—C21—N6—C200.2 (4)
C8—C7—N2—C6176.1 (2)C22—C21—N6—C20179.70 (19)
O1—C7—N2—Pd1173.3 (2)O3—C21—N6—Pd2173.41 (18)
C8—C7—N2—Pd15.4 (3)C22—C21—N6—Pd26.4 (2)
C5—C6—N2—C7173.4 (2)C19—C20—N6—C21172.7 (2)
C5—C6—N2—Pd12.9 (2)C19—C20—N6—Pd20.4 (2)
N3—Pd1—N2—C74.89 (17)N7—Pd2—N6—C217.44 (16)
N4—Pd1—N2—C73.0 (4)N8—Pd2—N6—C218.4 (4)
N1—Pd1—N2—C7173.27 (18)N5—Pd2—N6—C21173.28 (17)
N3—Pd1—N2—C6176.23 (18)N7—Pd2—N6—C20178.91 (17)
N4—Pd1—N2—C6168.3 (2)N8—Pd2—N6—C20178.0 (2)
N1—Pd1—N2—C61.94 (16)N5—Pd2—N6—C200.37 (16)
O2—C8—N3—C94.2 (4)O4—C22—N7—C230.4 (4)
C7—C8—N3—C9175.0 (2)C21—C22—N7—C23179.50 (19)
O2—C8—N3—Pd1177.9 (2)O4—C22—N7—Pd2174.78 (19)
C7—C8—N3—Pd11.3 (3)C21—C22—N7—Pd25.3 (2)
C10—C9—N3—C8173.8 (2)C24—C23—N7—C22173.4 (2)
C10—C9—N3—Pd10.1 (3)C24—C23—N7—Pd21.7 (2)
N2—Pd1—N3—C83.27 (17)N6—Pd2—N7—C227.02 (17)
N4—Pd1—N3—C8174.48 (18)N8—Pd2—N7—C22173.24 (18)
N1—Pd1—N3—C83.2 (4)N5—Pd2—N7—C229.5 (4)
N2—Pd1—N3—C9177.37 (18)N6—Pd2—N7—C23177.47 (18)
N4—Pd1—N3—C90.38 (17)N8—Pd2—N7—C232.28 (16)
N1—Pd1—N3—C9170.9 (2)N5—Pd2—N7—C23174.9 (2)
C13—C14—N4—C100.2 (3)C27—C28—N8—C240.5 (3)
C13—C14—N4—Pd1176.30 (18)C27—C28—N8—Pd2177.98 (17)
C11—C10—N4—C141.3 (3)C25—C24—N8—C282.1 (3)
C9—C10—N4—C14177.7 (2)C23—C24—N8—C28179.1 (2)
C11—C10—N4—Pd1178.38 (18)C25—C24—N8—Pd2176.63 (17)
C9—C10—N4—Pd10.7 (3)C23—C24—N8—Pd22.2 (2)
N3—Pd1—N4—C14177.2 (2)N6—Pd2—N8—C28180.0 (2)
N2—Pd1—N4—C14169.3 (2)N7—Pd2—N8—C28179.0 (2)
N1—Pd1—N4—C140.1 (2)N5—Pd2—N8—C281.8 (2)
N3—Pd1—N4—C100.58 (15)N6—Pd2—N8—C241.5 (4)
N2—Pd1—N4—C107.4 (4)N7—Pd2—N8—C242.39 (15)
N1—Pd1—N4—C10176.74 (14)N5—Pd2—N8—C24176.75 (14)
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
O5—H5A···O1i0.84 (2)2.05 (2)2.883 (3)173 (4)
O5—H5B···O60.84 (2)1.94 (2)2.784 (3)177 (4)
O6—H6A···O3ii0.82 (1)2.02 (2)2.845 (3)176 (3)
O6—H6B···O2iii0.84 (1)2.25 (2)2.999 (3)150 (4)
Symmetry codes: (i) x, y+1, z; (ii) x, y1, z; (iii) x+1, y+1, z.
 

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