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In the title complex, [Pd(C6H4O2)(C10H9N3)]·0.5H2O, the Pd atom has a distorted cis-square-planar geometry defined by an N,N-bidentate di-2-pyridylamine (bpa) and an O,O-bidentate benzene­diolate (bd) ligand. There are two molecules in the asymmetric unit. The crystal structure is stabilized by inter­molecular hydrogen bonds.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536806039419/wk2025sup1.cif
Contains datablocks global, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536806039419/wk2025Isup2.hkl
Contains datablock I

CCDC reference: 628419

Key indicators

  • Single-crystal X-ray study
  • T = 296 K
  • Mean [sigma](C-C) = 0.004 Å
  • R factor = 0.021
  • wR factor = 0.070
  • Data-to-parameter ratio = 16.0

checkCIF/PLATON results

No syntax errors found



Alert level C PLAT041_ALERT_1_C Calc. and Rep. SumFormula Strings Differ .... ? PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ .... ? PLAT045_ALERT_1_C Calculated and Reported Z Differ by ............ 0.50 Ratio
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 3 ALERT level C = Check and explain 0 ALERT level G = General alerts; check 3 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 0 ALERT type 4 Improvement, methodology, query or suggestion 0 ALERT type 5 Informative message, check

Computing details top

Data collection: RAPID-AUTO (Rigaku, 1998); cell refinement: RAPID-AUTO; data reduction: CrystalStructure (Rigaku/MSC, 2005) and CRYSTALS (Watkin et al., 1996); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ORTEPII (Johnson, 1976); software used to prepare material for publication: CrystalStructure.

(Benzene-1,2-diolato-κ2N,N')(di-2-pyridylamine-κ2N,N')palladium(II) hemihydrate top
Crystal data top
[Pd(C6H4O2)(C10H9N3)]·0.5H2OZ = 4
Mr = 394.72F(000) = 788.00
Triclinic, P1Dx = 1.792 Mg m3
Hall symbol: -P 1Mo Kα radiation, λ = 0.7107 Å
a = 9.08 (1) ÅCell parameters from 12902 reflections
b = 12.70 (1) Åθ = 3.0–27.5°
c = 13.22 (1) ŵ = 1.28 mm1
α = 82.34 (3)°T = 296 K
β = 77.43 (4)°Platelet, orange
γ = 81.19 (4)°0.50 × 0.30 × 0.05 mm
V = 1463 (2) Å3
Data collection top
Rigaku R-AXIS RAPID
diffractometer
5601 reflections with F2 > 2σ(F2)
Detector resolution: 10.00 pixels mm-1Rint = 0.016
ω scansθmax = 27.5°
Absorption correction: multi-scan
(ABSCOR; Higashi, 1995)
h = 1111
Tmin = 0.551, Tmax = 0.938k = 1616
14387 measured reflectionsl = 1714
6621 independent reflections
Refinement top
Refinement on F2H-atom parameters constrained
R[F2 > 2σ(F2)] = 0.021 w = 1/[σ2(Fo2) + (0.0401P)2]
where P = (Fo2 + 2Fc2)/3
wR(F2) = 0.070(Δ/σ)max = 0.002
S = 1.17Δρmax = 0.41 e Å3
6621 reflectionsΔρmin = 0.35 e Å3
413 parameters
Special details top

Refinement. Refinement using all reflections. The weighted R-factor (wR) and goodness of fit (S) are based on F2. R-factor (gt) are based on F. The threshold expression of F2 > 2.0 σ(F2) is used only for calculating R-factor (gt).

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
Pd10.17615 (2)0.00724 (1)0.91859 (1)0.03023 (6)
Pd20.59853 (2)0.36137 (1)0.51977 (1)0.03226 (6)
O10.1615 (2)0.1257 (1)0.8218 (1)0.0408 (3)
O20.0796 (2)0.0680 (1)0.8189 (1)0.0402 (4)
O30.4236 (2)0.3491 (1)0.6387 (1)0.0404 (4)
O40.6497 (2)0.4709 (1)0.5973 (1)0.0419 (4)
O50.4627 (2)0.1502 (1)0.7425 (1)0.0451 (4)
N10.1921 (2)0.1463 (1)1.0118 (1)0.0320 (4)
N20.3539 (2)0.0929 (1)1.1083 (1)0.0355 (4)
N30.2700 (2)0.0673 (1)1.0098 (1)0.0325 (4)
N40.7858 (2)0.3723 (1)0.4065 (1)0.0359 (4)
N50.7646 (2)0.2157 (1)0.3331 (1)0.0405 (4)
N60.5308 (2)0.2484 (1)0.4524 (1)0.0354 (4)
C10.1140 (3)0.2244 (2)0.9975 (2)0.0398 (5)
C20.1229 (3)0.3241 (2)1.0509 (2)0.0490 (6)
C30.2210 (3)0.3488 (2)1.1192 (2)0.0493 (6)
C40.2998 (3)0.2720 (2)1.1364 (2)0.0438 (5)
C50.2794 (2)0.1688 (2)1.0836 (2)0.0325 (4)
C60.3399 (2)0.0170 (2)1.0853 (1)0.0322 (4)
C70.4072 (3)0.0734 (2)1.1431 (2)0.0408 (5)
C80.4012 (3)0.1821 (2)1.1242 (2)0.0477 (6)
C90.3289 (3)0.2348 (2)1.0462 (2)0.0452 (6)
C100.2660 (3)0.1759 (2)0.9920 (2)0.0387 (5)
C110.0762 (2)0.1152 (2)0.7523 (2)0.0380 (5)
C120.0326 (3)0.2016 (2)0.6842 (2)0.0490 (6)
C130.0550 (3)0.1884 (3)0.6150 (2)0.0617 (7)
C140.0974 (3)0.0886 (3)0.6130 (2)0.0634 (8)
C150.0543 (3)0.0015 (2)0.6799 (2)0.0526 (6)
C160.0324 (3)0.0148 (2)0.7510 (2)0.0395 (5)
C170.8688 (3)0.4533 (2)0.4060 (2)0.0463 (6)
C181.0041 (3)0.4644 (2)0.3390 (2)0.0563 (7)
C191.0571 (3)0.3910 (2)0.2660 (2)0.0563 (7)
C200.9756 (3)0.3107 (2)0.2643 (2)0.0483 (6)
C210.8385 (3)0.3013 (2)0.3366 (2)0.0365 (5)
C220.6233 (3)0.1892 (2)0.3811 (2)0.0347 (4)
C230.5790 (3)0.0984 (2)0.3537 (2)0.0439 (6)
C240.4367 (3)0.0707 (2)0.3966 (2)0.0483 (6)
C250.3370 (3)0.1363 (2)0.4631 (2)0.0525 (6)
C260.3884 (3)0.2226 (2)0.4896 (2)0.0470 (6)
C270.4243 (3)0.4193 (2)0.7067 (2)0.0374 (5)
C280.3134 (3)0.4277 (2)0.7966 (2)0.0493 (6)
C290.3168 (4)0.5019 (2)0.8642 (2)0.0594 (7)
C300.4288 (4)0.5684 (2)0.8405 (2)0.0586 (7)
C310.5401 (3)0.5609 (2)0.7503 (2)0.0482 (6)
C320.5418 (3)0.4849 (2)0.6835 (2)0.0374 (5)
H10.05140.20920.94890.048*
H20.06390.37431.04140.059*
H30.23350.41751.15330.059*
H40.36620.28771.18240.053*
H50.42170.11821.14470.043*
H60.45620.03671.19470.049*
H70.44480.22011.16300.057*
H80.32350.30871.03120.054*
H90.21750.21180.93980.046*
H100.06250.26820.68530.059*
H110.08550.24610.56980.074*
H120.15600.08000.56580.076*
H130.08290.06520.67740.063*
H140.83130.50340.45360.056*
H151.05930.51940.34200.068*
H161.14830.39700.21850.068*
H171.01030.26180.21520.058*
H180.81730.16970.29300.049*
H190.64570.05660.30640.053*
H200.40780.00860.38100.058*
H210.23740.12230.48920.063*
H220.32190.26580.53570.056*
H230.23660.38390.81170.059*
H240.24370.50650.92540.071*
H250.42970.61880.88530.070*
H260.61400.60710.73460.058*
H270.36150.14290.76870.068*
H280.46040.21290.70010.068*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Pd10.02937 (9)0.03161 (9)0.02990 (9)0.00416 (6)0.00536 (6)0.00462 (7)
Pd20.0336 (1)0.03122 (9)0.03253 (9)0.00483 (7)0.00799 (7)0.00229 (7)
O10.0465 (9)0.0398 (8)0.0384 (8)0.0081 (7)0.0149 (7)0.0013 (7)
O20.0417 (9)0.0449 (9)0.0376 (8)0.0084 (7)0.0109 (7)0.0086 (7)
O30.0462 (9)0.0382 (8)0.0372 (8)0.0116 (7)0.0039 (7)0.0056 (7)
O40.0437 (9)0.0395 (8)0.0445 (9)0.0089 (7)0.0077 (7)0.0091 (7)
O50.047 (1)0.0416 (9)0.048 (1)0.0083 (8)0.0142 (8)0.0034 (8)
N10.0309 (9)0.0310 (8)0.0331 (9)0.0051 (7)0.0027 (7)0.0042 (7)
N20.039 (1)0.0358 (9)0.0336 (9)0.0054 (8)0.0130 (8)0.0003 (8)
N30.0329 (9)0.0320 (9)0.0326 (9)0.0042 (7)0.0042 (7)0.0069 (8)
N40.034 (1)0.0358 (9)0.038 (1)0.0059 (7)0.0074 (8)0.0002 (8)
N50.036 (1)0.043 (1)0.042 (1)0.0093 (8)0.0005 (8)0.0123 (9)
N60.034 (1)0.041 (1)0.0317 (9)0.0081 (8)0.0069 (7)0.0029 (8)
C10.038 (1)0.038 (1)0.045 (1)0.0075 (9)0.008 (1)0.009 (1)
C20.048 (1)0.036 (1)0.063 (2)0.013 (1)0.003 (1)0.009 (1)
C30.052 (2)0.031 (1)0.060 (2)0.007 (1)0.006 (1)0.003 (1)
C40.044 (1)0.038 (1)0.048 (1)0.005 (1)0.013 (1)0.004 (1)
C50.031 (1)0.033 (1)0.031 (1)0.0038 (8)0.0003 (8)0.0032 (9)
C60.031 (1)0.034 (1)0.031 (1)0.0051 (8)0.0018 (8)0.0059 (9)
C70.051 (1)0.042 (1)0.033 (1)0.008 (1)0.014 (1)0.004 (1)
C80.057 (2)0.044 (1)0.048 (1)0.012 (1)0.013 (1)0.016 (1)
C90.053 (1)0.032 (1)0.051 (1)0.006 (1)0.009 (1)0.010 (1)
C100.043 (1)0.032 (1)0.040 (1)0.0020 (9)0.009 (1)0.004 (1)
C110.031 (1)0.048 (1)0.033 (1)0.0001 (9)0.0044 (9)0.007 (1)
C120.046 (1)0.050 (1)0.046 (1)0.003 (1)0.009 (1)0.001 (1)
C130.052 (2)0.078 (2)0.051 (2)0.006 (1)0.019 (1)0.006 (1)
C140.047 (2)0.097 (2)0.051 (2)0.008 (2)0.024 (1)0.003 (2)
C150.044 (1)0.071 (2)0.047 (1)0.012 (1)0.016 (1)0.007 (1)
C160.031 (1)0.051 (1)0.035 (1)0.002 (1)0.0030 (9)0.008 (1)
C170.045 (1)0.044 (1)0.051 (1)0.013 (1)0.007 (1)0.007 (1)
C180.051 (2)0.055 (1)0.067 (2)0.024 (1)0.006 (1)0.007 (1)
C190.041 (1)0.065 (2)0.061 (2)0.019 (1)0.002 (1)0.008 (1)
C200.038 (1)0.056 (1)0.050 (1)0.011 (1)0.001 (1)0.013 (1)
C210.034 (1)0.040 (1)0.036 (1)0.0052 (9)0.0095 (9)0.003 (1)
C220.035 (1)0.040 (1)0.031 (1)0.0074 (9)0.0080 (9)0.0035 (9)
C230.046 (1)0.052 (1)0.036 (1)0.014 (1)0.003 (1)0.014 (1)
C240.056 (2)0.057 (1)0.039 (1)0.026 (1)0.005 (1)0.013 (1)
C250.041 (1)0.075 (2)0.047 (1)0.026 (1)0.002 (1)0.016 (1)
C260.035 (1)0.063 (2)0.044 (1)0.012 (1)0.003 (1)0.016 (1)
C270.046 (1)0.030 (1)0.037 (1)0.0007 (9)0.012 (1)0.0037 (9)
C280.057 (2)0.039 (1)0.048 (1)0.009 (1)0.001 (1)0.007 (1)
C290.075 (2)0.051 (1)0.047 (1)0.007 (1)0.004 (1)0.014 (1)
C300.072 (2)0.050 (1)0.057 (2)0.003 (1)0.011 (1)0.026 (1)
C310.051 (1)0.040 (1)0.059 (2)0.006 (1)0.017 (1)0.013 (1)
C320.042 (1)0.033 (1)0.037 (1)0.0010 (9)0.014 (1)0.002 (1)
Geometric parameters (Å, º) top
Pd1—O11.984 (3)C8—H70.9300
Pd1—O22.020 (2)C9—C101.360 (4)
Pd1—N12.020 (2)C9—H80.9300
Pd1—N32.018 (2)C10—H90.9300
Pd2—O31.986 (3)C11—C121.390 (3)
Pd2—O41.996 (2)C11—C161.396 (4)
Pd2—N42.015 (2)C12—C131.378 (4)
Pd2—N62.020 (2)C12—H100.9299
O1—C111.356 (3)C13—C141.385 (5)
O2—C161.369 (3)C13—H110.9300
O3—C271.350 (3)C14—C151.385 (4)
O4—C321.343 (3)C14—H120.9299
O5—H270.9224C15—C161.392 (4)
O5—H280.9107C15—H130.9300
N1—C11.359 (3)C17—C181.363 (4)
N1—C51.340 (3)C17—H140.9301
N2—C51.369 (3)C18—C191.390 (4)
N2—C61.380 (3)C18—H150.9300
N2—H50.8600C19—C201.354 (4)
N3—C61.338 (3)C19—H160.9300
N3—C101.365 (3)C20—C211.405 (3)
N4—C171.364 (3)C20—H170.9300
N4—C211.339 (3)C22—C231.393 (4)
N5—C211.372 (3)C23—C241.371 (4)
N5—C221.373 (3)C23—H190.9301
N5—H180.8600C24—C251.381 (3)
N6—C221.346 (3)C24—H200.9299
N6—C261.353 (3)C25—C261.368 (4)
C1—C21.365 (3)C25—H210.9299
C1—H10.9299C26—H220.9301
C2—C31.377 (4)C27—C281.385 (3)
C2—H20.9300C27—C321.411 (3)
C3—C41.364 (4)C28—C291.390 (4)
C3—H30.9300C28—H230.9301
C4—C51.407 (3)C29—C301.379 (5)
C4—H40.9300C29—H240.9299
C6—C71.398 (4)C30—C311.389 (4)
C7—C81.364 (3)C30—H250.9301
C7—H60.9300C31—C321.389 (4)
C8—C91.386 (4)C31—H260.9300
Pd1···N23.252 (2)C13···C162.784 (4)
Pd1···C12.910 (2)C13···H102.0121
Pd1···C52.992 (2)C13···H122.0109
Pd1···C62.985 (2)C13···H133.2513
Pd1···C102.924 (3)C13···H212.8783
Pd1···C112.757 (2)C14···C162.396 (4)
Pd1···C162.770 (2)C14···H103.2295
Pd1···H12.9057C14···H112.0187
Pd1···H92.9212C14···H123.5967
Pd1···H193.1541C14···H132.0216
Pd1···H272.9865C14···H203.2275
Pd2···O43.344 (2)C14···H213.1854
Pd2···N53.244 (2)C15···N53.502 (3)
Pd2···C172.907 (3)C15···H113.2499
Pd2···C212.980 (2)C15···H122.0117
Pd2···C222.989 (2)C15···H123.5853
Pd2···C262.908 (3)C15···H173.4437
Pd2···C272.753 (2)C15···H182.8597
Pd2···C322.754 (2)C15···H203.4995
Pd2···C323.462 (2)C16···N53.396 (3)
Pd2···H113.1762C16···H103.2576
Pd2···H142.9039C16···H123.2335
Pd2···H222.9092C16···H132.0275
Pd2···H283.0061C16···H173.5520
O1···O22.684 (2)C16···H182.5938
O1···O52.757 (2)C16···H192.8884
O1···N32.836 (2)C17···O33.456 (3)
O1···C102.805 (3)C17···C192.361 (3)
O1···C122.393 (3)C17···C202.703 (4)
O1···C162.360 (3)C17···C212.322 (4)
O1···H92.2039C17···C273.418 (4)
O1···H102.5843C17···C283.504 (4)
O1···H193.1319C17···H113.2132
O1···H233.4304C17···H152.0074
O1···H271.8344C17···H163.2048
O1···H283.1189C17···H233.5330
O2···N12.946 (2)C18···C202.374 (4)
O2···N52.919 (2)C18···C212.747 (4)
O2···C12.915 (3)C18···H33.2190
O2···C112.373 (3)C18···H103.3417
O2···C152.418 (3)C18···H141.9826
O2···C203.548 (3)C18···H143.4903
O2···C233.428 (3)C18···H162.0239
O2···H12.3160C18···H173.2163
O2···H132.6175C18···H233.4700
O2···H172.8290C18···H263.4049
O2···H182.0660C19···C212.390 (4)
O2···H192.6892C19···H33.1448
O3···O42.677 (2)C19···H143.1986
O3···O52.721 (2)C19···H152.0323
O3···N62.840 (2)C19···H171.9892
O3···C173.456 (3)C19···H262.9879
O3···C262.801 (3)C20···O23.548 (3)
O3···C282.387 (3)C20···H13.3218
O3···C322.366 (3)C20···H133.1664
O3···H103.4878C20···H153.2171
O3···H143.1062C20···H161.9907
O3···H222.2489C20···H182.4061
O3···H232.5804C21···C222.515 (3)
O3···H272.9938C21···H113.2670
O3···H281.8247C21···H133.4474
O4···Pd23.344 (2)C21···H143.1553
O4···N42.909 (2)C21···H163.2331
O4···C172.868 (3)C21···H172.0354
O4···C272.362 (3)C21···H181.8895
O4···C312.405 (3)C22···C242.392 (4)
O4···H113.4430C22···C252.738 (3)
O4···H142.2655C22···C262.311 (3)
O4···H152.9478C22···H73.5541
O4···H223.5835C22···H123.5033
O4···H262.6084C22···H181.8897
O5···C103.423 (3)C22···H192.0256
O5···C113.577 (3)C22···H203.2352
O5···C243.457 (3)C22···H223.1453
O5···C263.529 (3)C22···H263.5141
O5···C273.362 (3)C23···O23.428 (3)
O5···H93.1389C23···C73.544 (4)
O5···H193.1321C23···C252.373 (3)
O5···H202.7263C23···C262.697 (3)
O5···H223.3380C23···H62.8281
O5···H233.4492C23···H73.1543
N1···N22.366 (3)C23···H182.4079
N1···N32.902 (2)C23···H202.0086
N1···C22.397 (3)C23···H213.2177
N1···C32.772 (3)C23···H273.5682
N1···C42.395 (3)C24···O53.457 (3)
N1···C63.001 (3)C24···C73.414 (3)
N1···H11.9786C24···C243.384 (3)
N1···H23.2293C24···C262.359 (4)
N1···H43.2266C24···H62.7231
N1···H53.0892C24···H73.3938
N2···N32.380 (2)C24···H123.3316
N2···C13.584 (3)C24···H133.5682
N2···C42.366 (3)C24···H192.0052
N2···C72.361 (3)C24···H203.4976
N2···C103.600 (3)C24···H212.0222
N2···H42.5324C24···H223.1937
N2···H62.5119C25···H123.5118
N3···C53.021 (3)C25···H133.5403
N3···C72.384 (3)C25···H193.2151
N3···C82.782 (4)C25···H202.0178
N3···C92.404 (3)C25···H203.5728
N3···H53.0948C25···H221.9847
N3···H63.2142C26···H103.5107
N3···H83.2359C26···H203.2039
N3···H91.9812C26···H212.0104
N3···H273.1696C26···H263.4301
N4···N52.376 (3)C26···H282.9771
N4···N62.908 (3)C27···N43.395 (3)
N4···C182.399 (3)C27···C173.418 (4)
N4···C192.765 (3)C27···C292.403 (4)
N4···C202.384 (3)C27···C302.769 (4)
N4···C223.030 (3)C27···C312.408 (4)
N4···C273.395 (3)C27···H143.4253
N4···C323.587 (3)C27···H223.5247
N4···H112.8624C27···H232.0177
N4···H141.9835C27···H243.2415
N4···H153.2345C27···H263.2506
N4···H173.2163C27···H282.6026
N4···H183.0949C28···C173.504 (4)
N5···O22.919 (2)C28···C302.396 (4)
N5···N62.369 (2)C28···C312.778 (4)
N5···C153.502 (3)C28···C322.426 (3)
N5···C163.396 (3)C28···H83.2769
N5···C202.368 (3)C28···H93.2396
N5···C232.367 (3)C28···H242.0228
N5···C263.583 (3)C28···H253.2349
N5···H123.4815C28···H283.1511
N5···H133.1985C29···C23.528 (4)
N5···H172.5275C29···C312.404 (4)
N5···H192.5304C29···C322.794 (3)
N6···C213.007 (3)C29···H23.2812
N6···C232.384 (3)C29···H83.0755
N6···C242.771 (4)C29···H232.0227
N6···C252.398 (4)C29···H252.0090
N6···C313.464 (3)C29···H263.2388
N6···H183.0963C30···C322.411 (4)
N6···H193.2168C30···H233.2351
N6···H213.2300C30···H242.0122
N6···H221.9713C30···H262.0193
N6···H263.2664C31···N63.464 (3)
N6···H283.1809C31···H163.0806
C1···C32.358 (3)C31···H243.2419
C1···C42.706 (4)C31···H252.0187
C1···C52.310 (4)C32···Pd23.462 (2)
C1···H22.0060C32···N43.587 (3)
C1···H33.2013C32···H143.5664
C1···H173.3628C32···H153.5559
C1···H253.4017C32···H233.2658
C2···C42.368 (4)C32···H253.2471
C2···C52.730 (4)C32···H262.0196
C2···C293.528 (4)H1···C203.3218
C2···H11.9839H2···C293.2812
C2···H32.0120H3···C183.2190
C2···H43.2119H3···C193.1448
C2···H242.8321H6···C232.8281
C2···H253.1980H6···C242.7231
C3···C52.390 (3)H7···C223.5541
C3···H13.1923H7···C233.1543
C3···H22.0165H7···C243.3938
C3···H42.0019H10···C183.3417
C3···H153.3453H11···Pd23.1762
C3···H163.4250H11···O43.4430
C3···H243.2998H11···N42.8624
C3···H253.2960H11···C173.2132
C4···H23.2111H11···C213.2670
C4···H32.0003H12···N53.4815
C4···H52.4137H12···C143.5967
C5···C62.507 (3)H12···C153.5853
C5···H13.1453H12···C223.5033
C5···H33.2356H12···C243.3316
C5···H42.0414H12···C253.5118
C5···H51.8917H13···N53.1985
C6···C82.396 (4)H13···C203.1664
C6···C92.737 (3)H13···C213.4474
C6···C102.309 (3)H13···C243.5682
C6···H51.9018H13···C253.5403
C6···H62.0279H14···O33.1062
C6···H73.2406H14···C183.4903
C6···H93.1434H14···C273.4253
C7···C92.366 (3)H15···O42.9478
C7···C102.691 (3)H15···C33.3453
C7···C233.544 (4)H15···C123.5016
C7···C243.414 (3)H15···C323.5559
C7···H52.4150H16···C33.4250
C7···H72.0047H16···C83.4667
C7···H83.2118H16···C93.2732
C7···H193.3420H16···C313.0806
C7···H203.1440H17···O22.8290
C8···C102.360 (4)H17···C13.3628
C8···H61.9969H17···C83.5259
C8···H82.0256H17···C93.2503
C8···H93.1941H17···C103.5196
C8···H163.4667H17···C153.4437
C8···H173.5259H17···C163.5520
C9···H63.2097H18···O22.0660
C9···H72.0246H18···C152.8597
C9···H91.9761H18···C162.5938
C9···H163.2732H19···Pd13.1541
C9···H173.2503H19···O13.1319
C10···H73.2055H19···O22.6892
C10···H82.0016H19···O53.1321
C10···H173.5196H19···C73.3420
C10···H233.3329H19···C113.1057
C10···H272.9577H19···C162.8884
C11···C132.394 (4)H20···O52.7263
C11···C142.753 (4)H20···C73.1440
C11···C152.406 (4)H20···C143.2275
C11···H93.4605H20···C153.4995
C11···H102.0232H20···C243.4976
C11···H113.2352H20···C253.5728
C11···H133.2496H22···O43.5835
C11···H193.1057H23···C173.5330
C11···H213.4618H23···C183.4700
C11···H272.7252H24···C22.8321
C12···C142.388 (5)H24···C33.2998
C12···C152.786 (4)H25···C13.4017
C12···C162.420 (3)H25···C23.1980
C12···H112.0124H25···C33.2960
C12···H123.2239H26···N63.2664
C12···H153.5016H26···C183.4049
C12···H213.0246H26···C192.9879
C12···H223.0658H26···C223.5141
C12···H273.3570H26···C263.4301
C13···C152.414 (4)H27···C233.5682
O1—Pd1—O284.19 (7)H9—C10—N3118.1111
O1—Pd1—N1177.51 (7)H9—C10—C9118.0968
O1—Pd1—N390.27 (7)C12—C11—C16120.6 (2)
O2—Pd1—N193.67 (7)C12—C11—O1121.3 (2)
O2—Pd1—N3174.44 (6)C16—C11—O1118.1 (2)
N1—Pd1—N391.88 (7)C13—C12—C11119.8 (3)
O3—Pd2—O484.48 (7)C13—C12—H10120.1158
O3—Pd2—N4175.91 (8)H10—C12—C11120.1225
O3—Pd2—N690.29 (7)C14—C13—C12119.7 (3)
O4—Pd2—N492.99 (7)C14—C13—H11120.1544
O4—Pd2—N6174.77 (7)H11—C13—C12120.1535
N4—Pd2—N692.22 (8)C15—C14—C13121.3 (3)
C11—O1—Pd1109.9 (1)C15—C14—H12119.3636
C16—O2—Pd1108.1 (2)H12—C14—C13119.3501
C27—O3—Pd2109.8 (1)C16—C15—H13120.3791
C32—O4—Pd2109.6 (2)C16—C15—C14119.2 (3)
H27—O5—H28104.2843H13—C15—C14120.3743
C1—N1—Pd1117.6 (1)C18—C17—N4123.2 (2)
C1—N1—C5117.7 (2)C18—C17—H14118.4089
C5—N1—Pd1124.7 (1)H14—C17—N4118.4161
C5—N2—C6131.6 (2)C19—C18—C17118.0 (3)
C5—N2—H5114.2001C19—C18—H15120.9930
C6—N2—H5114.2217H15—C18—C17120.9854
C6—N3—Pd1124.4 (1)C20—C19—C18119.7 (2)
C6—N3—C10117.3 (2)C20—C19—H16120.1360
C10—N3—Pd1118.3 (2)H16—C19—C18120.1201
C17—N4—Pd2117.4 (1)C21—C20—C19120.0 (2)
C17—N4—C21118.4 (2)C21—C20—H17119.9757
C21—N4—Pd2124.1 (2)H17—C20—C19119.9751
C21—N5—C22132.7 (2)C23—C22—N5117.7 (2)
C21—N5—H18113.6510C23—C22—N6121.0 (2)
C22—N5—H18113.6481C24—C23—C22119.9 (2)
C22—N6—Pd2124.0 (2)C24—C23—H19120.0537
C22—N6—C26117.8 (2)H19—C23—C22120.0513
C26—N6—Pd2117.8 (2)C25—C24—C23119.2 (3)
C2—C1—N1123.2 (2)C25—C24—H20120.4222
C2—C1—H1118.3886H20—C24—C23120.4245
H1—C1—N1118.3884C26—C25—C24118.2 (2)
C3—C2—C1118.7 (3)C26—C25—H21120.8851
C3—C2—H2120.6765H21—C25—C24120.8829
H2—C2—C1120.6671H22—C26—N6118.2164
C4—C3—C2119.6 (2)H22—C26—C25118.2173
C4—C3—H3120.2158C28—C27—C32120.5 (2)
H3—C3—C2120.2076C28—C27—O3121.6 (2)
C5—C4—C3119.2 (2)C32—C27—O3117.9 (2)
C5—C4—H4120.3887C29—C28—C27120.0 (3)
H4—C4—C3120.3835C29—C28—H23120.0246
C7—C6—N2116.5 (2)H23—C28—C27120.0103
C7—C6—N3121.3 (2)C30—C29—C28119.9 (3)
C8—C7—C6120.4 (2)C30—C29—H24120.0483
C8—C7—H6119.8227H24—C29—C28120.0519
H6—C7—C6119.8178C31—C30—C29120.6 (3)
C9—C8—C7118.7 (3)C31—C30—H25119.7123
C9—C8—H7120.6414H25—C30—C29119.7051
H7—C8—C7120.6406C32—C31—H26119.7921
C10—C9—C8118.5 (2)C32—C31—C30120.4 (3)
C10—C9—H8120.7379H26—C31—C30119.7816
H8—C9—C8120.7434
O2—Pd1—O1—C119.9 (1)C3—C4—C5—N14.4 (3)
O1—Pd1—O2—C1610.1 (1)C3—C4—C5—N2176.1 (2)
O1—Pd1—N3—C6166.3 (1)N2—C6—C7—C8178.8 (2)
O4—Pd2—O3—C271.8 (1)C6—C7—C8—C90.7 (3)
O3—Pd2—O4—C323.1 (1)C7—C8—C9—C100.4 (3)
O3—Pd2—N6—C22158.0 (2)C8—C9—C10—N30.1 (3)
Pd1—O1—C11—C12171.9 (2)O1—C11—C12—C13179.5 (2)
Pd1—O2—C16—C118.9 (2)O1—C11—C16—O20.9 (3)
Pd1—O2—C16—C15172.5 (2)O1—C11—C16—C15179.5 (2)
Pd2—O3—C27—C28179.5 (2)C11—C12—C13—C140.8 (4)
Pd2—O4—C32—C273.9 (2)C12—C13—C14—C150.4 (4)
Pd2—O4—C32—C31175.8 (2)C13—C14—C15—C160.5 (4)
Pd1—N1—C1—C2175.8 (2)C14—C15—C16—O2179.6 (2)
Pd1—N1—C5—N27.6 (3)C14—C15—C16—C111.0 (3)
Pd1—N1—C5—C4171.8 (2)N4—C17—C18—C191.9 (4)
C6—N2—C5—N112.8 (3)C17—C18—C19—C201.0 (4)
C6—N2—C5—C4167.8 (2)C18—C19—C20—C210.5 (4)
C5—N2—C6—N316.9 (3)C19—C20—C21—N41.1 (4)
Pd1—N3—C6—N20.2 (3)C19—C20—C21—N5177.5 (2)
Pd1—N3—C10—C9178.2 (2)N5—C22—C23—C24177.6 (2)
Pd2—N4—C17—C18174.5 (2)C22—C23—C24—C252.8 (4)
Pd2—N4—C21—N52.8 (3)C23—C24—C25—C264.7 (4)
Pd2—N4—C21—C20175.7 (2)C24—C25—C26—N61.5 (4)
C22—N5—C21—N410.8 (4)O3—C27—C28—C29179.3 (2)
C22—N5—C21—C20170.5 (2)O3—C27—C32—O42.6 (3)
C21—N5—C22—N65.0 (4)O3—C27—C32—C31177.1 (2)
Pd2—N6—C22—N513.3 (3)C27—C28—C29—C301.4 (4)
Pd2—N6—C26—C25169.0 (2)C28—C29—C30—C311.1 (4)
N1—C1—C2—C33.2 (4)C29—C30—C31—C321.1 (4)
C1—C2—C3—C43.8 (4)C30—C31—C32—O4177.3 (2)
C2—C3—C4—C50.2 (4)C30—C31—C32—C272.9 (4)
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
N2—H5···O5i0.861.972.805 (3)163
N5—H18···O2ii0.862.072.919 (2)170
O5—H27···O10.921.832.757 (2)179
O5—H28···O30.911.822.721 (2)167
Symmetry codes: (i) x+1, y, z+2; (ii) x+1, y, z+1.
 

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