Download citation
Download citation
link to html
The title polymeric complex, [PbPd(NCS)4(C20H36O6)(H2O)]n or {[Pb(DC18C6-A)(H2O)][Pd(SCN)4]}n (DC18C6-A = cis-syn-cis-dicyclo­hexyl-18-crown-6), has been synthesized by the reaction of dicyclo­hexyl-18-crown-6 with PdCl2 and Pb(SCN)2. The SCN groups bridge [Pb(DC18C6-A)(H2O)]2+ complex cations and [Pd(SCN)4]2− complex anions to form infinite polymeric chains.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536805025407/xu6031sup1.cif
Contains datablocks I, global

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536805025407/xu6031Isup2.hkl
Contains datablock I

CCDC reference: 227557

Key indicators

  • Single-crystal X-ray study
  • T = 298 K
  • Mean [sigma](C-C) = 0.009 Å
  • R factor = 0.033
  • wR factor = 0.046
  • Data-to-parameter ratio = 15.5

checkCIF/PLATON results

No syntax errors found



Alert level B PLAT241_ALERT_2_B Check High Ueq as Compared to Neighbors for N1
Alert level C ABSTM02_ALERT_3_C The ratio of expected to reported Tmax/Tmin(RR) is > 1.10 Tmin and Tmax reported: 0.241 0.259 Tmin and Tmax expected: 0.245 0.347 RR = 1.316 Please check that your absorption correction is appropriate. PLAT060_ALERT_3_C Ratio Tmax/Tmin (Exp-to-Rep) (too) Large ....... 1.29 PLAT062_ALERT_4_C Rescale T(min) & T(max) by ..................... 1.34 PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for S1 PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for S3 PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C3 PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C10 PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C13 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for Pb1 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for Pd1 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C21 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C22 PLAT342_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ... 9
Alert level G ABSTM02_ALERT_3_G When printed, the submitted absorption T values will be replaced by the scaled T values. Since the ratio of scaled T's is identical to the ratio of reported T values, the scaling does not imply a change to the absorption corrections used in the study. Ratio of Tmax expected/reported 1.340 Tmax scaled 0.347 Tmin scaled 0.323
0 ALERT level A = In general: serious problem 1 ALERT level B = Potentially serious problem 13 ALERT level C = Check and explain 1 ALERT level G = General alerts; check 0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 10 ALERT type 2 Indicator that the structure model may be wrong or deficient 4 ALERT type 3 Indicator that the structure quality may be low 1 ALERT type 4 Improvement, methodology, query or suggestion

Computing details top

Data collection: SMART (Siemens, 1996); cell refinement: SMART; data reduction: SAINT (Siemens, 1996); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997a); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997a); molecular graphics: SHELXTL (Sheldrick, 1997b); software used to prepare material for publication: SHELXTL.

catena-Poly[[aqua(cis-syn-cis-dicyclohexyl-18-crown-6)lead(II)]-µ- thiocyanato-κ2N:S-[dithiocyanatopallalium(II)]-µ-thiocyanato-κ2S:N] top
Crystal data top
[PbPd(NCS)4(C20H36O6)(H2O)]F(000) = 1832
Mr = 936.41Dx = 1.866 Mg m3
Monoclinic, P21/nMelting point: 162 K
Hall symbol: -P 2ynMo Kα radiation, λ = 0.71073 Å
a = 14.177 (5) ÅCell parameters from 4334 reflections
b = 12.967 (4) Åθ = 1.9–25.0°
c = 18.885 (6) ŵ = 5.88 mm1
β = 106.237 (5)°T = 298 K
V = 3333.4 (19) Å3Block, red
Z = 40.25 × 0.23 × 0.18 mm
Data collection top
Bruker SMART CCD area-detector
diffractometer
5836 independent reflections
Radiation source: fine-focus sealed tube3801 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.052
φ and ω scansθmax = 25.0°, θmin = 1.9°
Absorption correction: multi-scan
(SADABS; Sheldrick, 1996)
h = 1516
Tmin = 0.241, Tmax = 0.259k = 1515
17097 measured reflectionsl = 2022
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)] = 0.033Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.046H atoms treated by a mixture of independent and constrained refinement
S = 0.95 w = 1/[σ2(Fo2) + (0.0003P)2]
where P = (Fo2 + 2Fc2)/3
5836 reflections(Δ/σ)max = 0.001
376 parametersΔρmax = 1.37 e Å3
39 restraintsΔρmin = 0.95 e Å3
Special details top

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.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
Pb10.486276 (15)0.886729 (16)0.238646 (13)0.04022 (7)
Pd10.47460 (3)0.38702 (3)0.21000 (2)0.03788 (12)
N10.5352 (4)0.6980 (4)0.2576 (3)0.0800 (18)
N20.2280 (4)0.5468 (5)0.1276 (4)0.100 (2)
N30.5102 (5)0.0778 (4)0.1630 (3)0.077 (2)
N40.5141 (4)0.3061 (4)0.4312 (3)0.0793 (19)
O10.3032 (2)0.8176 (3)0.1839 (2)0.0506 (11)
O20.3997 (3)0.8635 (2)0.0847 (2)0.0481 (11)
O30.6012 (3)0.8499 (3)0.1486 (2)0.0513 (11)
O40.6883 (3)0.9153 (3)0.2958 (2)0.0533 (11)
O50.5760 (3)0.8747 (3)0.3854 (2)0.0499 (10)
O60.3866 (3)0.8178 (3)0.3326 (2)0.0523 (11)
O70.4030 (3)1.0402 (3)0.2853 (3)0.0715 (15)
S10.50877 (13)0.50134 (11)0.30794 (10)0.0643 (5)
S20.41945 (11)0.51371 (11)0.12009 (10)0.0573 (5)
S30.43701 (13)0.27301 (12)0.11076 (10)0.0676 (5)
S40.53623 (11)0.25512 (10)0.29195 (10)0.0515 (5)
C10.2480 (4)0.8563 (4)0.1142 (4)0.0544 (18)
H10.18340.82300.10120.065*
C20.2328 (4)0.9712 (4)0.1160 (4)0.0632 (19)
H2A0.19640.98700.15120.076*
H2B0.29611.00520.13230.076*
C30.1778 (5)1.0120 (5)0.0417 (5)0.089 (2)
H3A0.17261.08640.04380.106*
H3B0.11190.98340.02720.106*
C40.2316 (5)0.9824 (5)0.0141 (4)0.083 (2)
H4A0.19451.00690.06240.099*
H4B0.29511.01640.00140.099*
C50.2465 (5)0.8680 (5)0.0177 (4)0.079 (2)
H5A0.28440.85340.05200.095*
H5B0.18320.83430.03560.095*
C60.2996 (4)0.8256 (4)0.0576 (4)0.0533 (17)
H60.30110.75020.05480.064*
C70.4643 (4)0.8139 (4)0.0488 (4)0.0623 (19)
H7A0.43760.81890.00430.075*
H7B0.47110.74150.06220.075*
C80.5604 (4)0.8647 (4)0.0721 (4)0.0577 (18)
H8A0.60360.83570.04550.069*
H8B0.55300.93780.06110.069*
C90.6970 (5)0.8936 (6)0.1734 (4)0.073 (2)
H9A0.69290.96810.16840.088*
H9B0.73740.86810.14330.088*
C100.7421 (4)0.8659 (5)0.2510 (4)0.081 (2)
H10A0.74070.79170.25700.098*
H10B0.81010.88830.26620.098*
C110.7351 (4)0.8997 (5)0.3736 (4)0.0589 (18)
H110.74850.82600.38270.071*
C120.8307 (4)0.9597 (5)0.4026 (4)0.074 (2)
H12A0.85960.94320.45420.089*
H12B0.87670.93900.37570.089*
C130.8140 (5)1.0737 (5)0.3945 (4)0.092 (3)
H13A0.78901.09130.34270.110*
H13B0.87561.10990.41440.110*
C140.7412 (5)1.1064 (5)0.4350 (4)0.077 (2)
H14A0.72861.17980.42790.092*
H14B0.76891.09400.48740.092*
C150.6454 (4)1.0479 (4)0.4078 (4)0.0567 (18)
H15A0.60161.06710.43700.068*
H15B0.61381.06620.35690.068*
C160.6634 (4)0.9337 (4)0.4136 (3)0.0474 (16)
H160.69070.91640.46580.057*
C170.5141 (4)0.8703 (5)0.4341 (3)0.0605 (18)
H17A0.48320.93660.43590.073*
H17B0.55250.85220.48360.073*
C180.4382 (5)0.7899 (5)0.4040 (4)0.0636 (19)
H18A0.46940.72340.40370.076*
H18B0.39370.78470.43460.076*
C190.3063 (5)0.7515 (5)0.3003 (4)0.0632 (19)
H19A0.26820.73930.33490.076*
H19B0.33040.68580.28810.076*
C200.2445 (4)0.7999 (5)0.2335 (4)0.0631 (18)
H20A0.18960.75520.21050.076*
H20B0.21870.86470.24570.076*
C210.5227 (4)0.6158 (4)0.2743 (3)0.0549 (16)
C220.3060 (5)0.5326 (4)0.1262 (4)0.0566 (19)
C230.4806 (5)0.1568 (5)0.1431 (4)0.0582 (19)
C240.5233 (4)0.2888 (4)0.3732 (4)0.0507 (18)
H210.370 (4)1.037 (3)0.319 (3)0.080*
H220.418 (4)1.1042 (19)0.279 (3)0.080*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Pb10.04467 (14)0.03358 (11)0.04657 (16)0.00189 (12)0.01961 (10)0.00093 (13)
Pd10.0403 (3)0.0317 (2)0.0431 (3)0.0011 (2)0.0141 (2)0.0033 (2)
N10.124 (5)0.039 (3)0.091 (5)0.004 (3)0.053 (4)0.009 (3)
N20.086 (5)0.109 (5)0.122 (7)0.025 (4)0.056 (5)0.038 (4)
N30.130 (5)0.039 (3)0.081 (5)0.004 (3)0.057 (4)0.003 (3)
N40.094 (5)0.082 (4)0.060 (5)0.001 (3)0.018 (4)0.022 (4)
O10.039 (2)0.064 (3)0.049 (3)0.004 (2)0.012 (2)0.012 (2)
O20.045 (2)0.054 (3)0.049 (3)0.005 (2)0.019 (2)0.012 (2)
O30.048 (3)0.068 (3)0.045 (3)0.005 (2)0.025 (2)0.002 (2)
O40.045 (2)0.075 (3)0.042 (3)0.006 (2)0.016 (2)0.002 (2)
O50.060 (3)0.047 (2)0.048 (3)0.007 (2)0.024 (2)0.003 (2)
O60.059 (3)0.053 (3)0.046 (3)0.013 (2)0.018 (2)0.011 (2)
O70.087 (3)0.041 (2)0.113 (5)0.012 (2)0.071 (3)0.013 (3)
S10.1009 (14)0.0336 (9)0.0544 (13)0.0049 (9)0.0150 (10)0.0010 (8)
S20.0579 (11)0.0561 (10)0.0576 (13)0.0055 (8)0.0156 (9)0.0214 (9)
S30.0984 (15)0.0530 (11)0.0512 (14)0.0081 (10)0.0203 (11)0.0050 (9)
S40.0611 (11)0.0343 (8)0.0600 (14)0.0055 (8)0.0183 (9)0.0105 (8)
C10.048 (4)0.057 (4)0.057 (5)0.009 (3)0.014 (4)0.003 (3)
C20.065 (5)0.061 (4)0.070 (6)0.012 (4)0.031 (4)0.005 (4)
C30.070 (5)0.093 (6)0.095 (8)0.016 (4)0.010 (5)0.029 (5)
C40.070 (5)0.102 (6)0.067 (7)0.002 (4)0.004 (4)0.025 (5)
C50.066 (5)0.104 (6)0.062 (6)0.017 (4)0.008 (4)0.011 (5)
C60.051 (4)0.055 (4)0.049 (5)0.002 (3)0.005 (4)0.001 (3)
C70.075 (5)0.071 (4)0.048 (5)0.010 (4)0.029 (4)0.015 (4)
C80.061 (4)0.070 (5)0.052 (5)0.001 (4)0.031 (4)0.007 (4)
C90.060 (5)0.122 (6)0.045 (5)0.010 (5)0.029 (4)0.009 (5)
C100.044 (4)0.134 (6)0.072 (6)0.012 (4)0.027 (4)0.012 (5)
C110.053 (4)0.055 (4)0.069 (6)0.012 (4)0.019 (4)0.005 (4)
C120.045 (4)0.095 (6)0.074 (6)0.000 (4)0.005 (4)0.012 (4)
C130.065 (5)0.086 (6)0.119 (8)0.033 (4)0.018 (5)0.002 (5)
C140.069 (5)0.047 (4)0.096 (7)0.004 (4)0.007 (4)0.008 (4)
C150.055 (4)0.039 (4)0.071 (5)0.001 (3)0.009 (4)0.001 (3)
C160.054 (4)0.044 (4)0.041 (5)0.001 (3)0.008 (3)0.002 (3)
C170.068 (4)0.082 (5)0.039 (5)0.010 (4)0.027 (4)0.003 (4)
C180.068 (5)0.077 (5)0.054 (6)0.008 (4)0.029 (4)0.009 (4)
C190.071 (5)0.066 (4)0.063 (6)0.017 (4)0.036 (4)0.009 (4)
C200.049 (4)0.078 (4)0.069 (5)0.007 (4)0.028 (4)0.017 (4)
C210.069 (4)0.036 (3)0.070 (5)0.004 (4)0.036 (3)0.002 (4)
C220.071 (5)0.049 (4)0.055 (5)0.016 (4)0.025 (4)0.024 (3)
C230.084 (5)0.044 (4)0.055 (5)0.008 (4)0.033 (4)0.014 (4)
C240.051 (4)0.048 (4)0.045 (5)0.001 (3)0.000 (4)0.019 (4)
Geometric parameters (Å, º) top
Pb1—N12.542 (5)C4—C51.503 (8)
Pb1—N3i2.927 (5)C4—H4A0.9700
Pb1—O12.666 (4)C4—H4B0.9700
Pb1—O22.839 (4)C5—C61.514 (8)
Pb1—O32.706 (3)C5—H5A0.9700
Pb1—O42.789 (4)C5—H5B0.9700
Pb1—O52.711 (4)C6—H60.9800
Pb1—O62.710 (4)C7—C81.465 (7)
Pb1—O72.591 (3)C7—H7A0.9700
Pd1—S12.3136 (18)C7—H7B0.9700
Pd1—S22.3347 (17)C8—H8A0.9700
Pd1—S32.3288 (18)C8—H8B0.9700
Pd1—S42.3082 (16)C9—C101.471 (8)
N1—C211.139 (6)C9—H9A0.9700
N2—C221.128 (6)C9—H9B0.9700
N3—C231.130 (6)C10—H10A0.9700
N4—C241.160 (7)C10—H10B0.9700
O1—C11.421 (7)C11—C161.491 (7)
O1—C201.434 (6)C11—C121.526 (7)
O2—C61.452 (6)C11—H110.9800
O2—C71.434 (5)C12—C131.498 (7)
O3—C81.412 (7)C12—H12A0.9700
O3—C91.425 (6)C12—H12B0.9700
O4—C101.437 (6)C13—C141.507 (8)
O4—C111.447 (7)C13—H13A0.9700
O5—C161.427 (6)C13—H13B0.9700
O5—C171.440 (5)C14—C151.515 (7)
O6—C181.391 (7)C14—H14A0.9700
O6—C191.421 (6)C14—H14B0.9700
O7—H210.90 (3)C15—C161.502 (6)
O7—H220.874 (18)C15—H15A0.9700
S1—C211.648 (6)C15—H15B0.9700
S2—C221.663 (7)C16—H160.9800
S3—C231.678 (7)C17—C181.492 (7)
S4—C241.654 (7)C17—H17A0.9700
C1—C21.508 (7)C17—H17B0.9700
C1—C61.508 (7)C18—H18A0.9700
C1—H10.9800C18—H18B0.9700
C2—C31.497 (8)C19—C201.460 (8)
C2—H2A0.9700C19—H19A0.9700
C2—H2B0.9700C19—H19B0.9700
C3—C41.514 (8)C20—H20A0.9700
C3—H3A0.9700C20—H20B0.9700
C3—H3B0.9700
N1—Pb1—O7145.49 (15)O2—C7—H7A110.0
N1—Pb1—O185.92 (15)C8—C7—H7A110.0
O7—Pb1—O184.44 (13)O2—C7—H7B110.0
N1—Pb1—O374.35 (13)C8—C7—H7B110.0
O7—Pb1—O3139.53 (11)H7A—C7—H7B108.3
O1—Pb1—O3112.90 (13)O3—C8—C7109.0 (5)
N1—Pb1—O676.23 (14)O3—C8—H8A109.9
O7—Pb1—O670.13 (12)C7—C8—H8A109.9
O1—Pb1—O660.89 (13)O3—C8—H8B109.9
O3—Pb1—O6150.34 (11)C7—C8—H8B109.9
N1—Pb1—O576.65 (15)H8A—C8—H8B108.3
O7—Pb1—O579.91 (14)O3—C9—C10109.8 (5)
O1—Pb1—O5120.31 (11)O3—C9—H9A109.7
O3—Pb1—O5116.05 (12)C10—C9—H9A109.7
O6—Pb1—O559.57 (12)O3—C9—H9B109.7
N1—Pb1—O293.72 (15)C10—C9—H9B109.7
O7—Pb1—O2108.80 (14)H9A—C9—H9B108.2
O1—Pb1—O258.13 (11)O4—C10—C9108.9 (5)
O3—Pb1—O260.09 (12)O4—C10—H10A109.9
O6—Pb1—O2118.71 (12)C9—C10—H10A109.9
O5—Pb1—O2170.37 (9)O4—C10—H10B109.9
S4—Pd1—S189.05 (6)C9—C10—H10B109.9
S4—Pd1—S391.59 (6)H10A—C10—H10B108.3
S1—Pd1—S3178.88 (6)O4—C11—C16106.8 (5)
S4—Pd1—S2174.90 (6)O4—C11—C12113.7 (5)
S1—Pd1—S294.77 (7)C16—C11—C12109.3 (5)
S3—Pd1—S284.65 (6)O4—C11—H11109.0
C21—N1—Pb1151.9 (5)C16—C11—H11109.0
C1—O1—C20113.1 (4)C12—C11—H11109.0
C1—O1—Pb1117.7 (3)C13—C12—C11111.5 (5)
C20—O1—Pb1118.7 (4)C13—C12—H12A109.3
C7—O2—C6111.9 (4)C11—C12—H12A109.3
C7—O2—Pb1112.4 (3)C13—C12—H12B109.3
C6—O2—Pb1119.7 (3)C11—C12—H12B109.3
C8—O3—C9111.3 (4)H12A—C12—H12B108.0
C8—O3—Pb1118.2 (3)C12—C13—C14109.8 (5)
C9—O3—Pb1114.2 (3)C12—C13—H13A109.7
C10—O4—C11111.6 (4)C14—C13—H13A109.7
C16—O5—C17113.8 (4)C12—C13—H13B109.7
C16—O5—Pb1117.4 (3)C14—C13—H13B109.7
C17—O5—Pb1117.4 (3)H13A—C13—H13B108.2
C18—O6—C19113.6 (4)C13—C14—C15111.3 (5)
C18—O6—Pb1119.4 (3)C13—C14—H14A109.4
C19—O6—Pb1114.9 (3)C15—C14—H14A109.4
Pb1—O7—H21126 (3)C13—C14—H14B109.4
Pb1—O7—H22122 (3)C15—C14—H14B109.4
H21—O7—H22110 (3)H14A—C14—H14B108.0
C21—S1—Pd1106.9 (2)C16—C15—C14110.5 (5)
C22—S2—Pd1100.8 (2)C16—C15—H15A109.5
C23—S3—Pd1107.4 (2)C14—C15—H15A109.5
C24—S4—Pd1107.9 (2)C16—C15—H15B109.5
O1—C1—C6108.3 (5)C14—C15—H15B109.5
O1—C1—C2111.9 (5)H15A—C15—H15B108.1
C6—C1—C2112.2 (5)O5—C16—C11107.2 (5)
O1—C1—H1108.1O5—C16—C15112.9 (5)
C6—C1—H1108.1C11—C16—C15112.4 (5)
C2—C1—H1108.1O5—C16—H16108.0
C3—C2—C1111.6 (6)C11—C16—H16108.0
C3—C2—H2A109.3C15—C16—H16108.0
C1—C2—H2A109.3O5—C17—C18106.7 (5)
C3—C2—H2B109.3O5—C17—H17A110.4
C1—C2—H2B109.3C18—C17—H17A110.4
H2A—C2—H2B108.0O5—C17—H17B110.4
C2—C3—C4109.4 (6)C18—C17—H17B110.4
C2—C3—H3A109.8H17A—C17—H17B108.6
C4—C3—H3A109.8O6—C18—C17108.4 (5)
C2—C3—H3B109.8O6—C18—H18A110.0
C4—C3—H3B109.8C17—C18—H18A110.0
H3A—C3—H3B108.2O6—C18—H18B110.0
C5—C4—C3112.6 (6)C17—C18—H18B110.0
C5—C4—H4A109.1H18A—C18—H18B108.4
C3—C4—H4A109.1O6—C19—C20109.0 (5)
C5—C4—H4B109.1O6—C19—H19A109.9
C3—C4—H4B109.1C20—C19—H19A109.9
H4A—C4—H4B107.8O6—C19—H19B109.9
C4—C5—C6110.9 (6)C20—C19—H19B109.9
C4—C5—H5A109.5H19A—C19—H19B108.3
C6—C5—H5A109.5O1—C20—C19108.4 (5)
C4—C5—H5B109.5O1—C20—H20A110.0
C6—C5—H5B109.5C19—C20—H20A110.0
H5A—C5—H5B108.1O1—C20—H20B110.0
O2—C6—C1106.3 (5)C19—C20—H20B110.0
O2—C6—C5112.8 (5)H20A—C20—H20B108.4
C1—C6—C5110.9 (5)N1—C21—S1173.7 (6)
O2—C6—H6108.9N2—C22—S2177.3 (7)
C1—C6—H6108.9N3—C23—S3178.0 (6)
C5—C6—H6108.9N4—C24—S4175.9 (6)
O2—C7—C8108.7 (5)
O7—Pb1—N1—C2133.0 (14)S2—Pd1—S1—C2121.7 (2)
O1—Pb1—N1—C2141.0 (12)S1—Pd1—S2—C2279.7 (2)
O3—Pb1—N1—C21156.2 (12)S3—Pd1—S2—C2299.3 (2)
O6—Pb1—N1—C2120.0 (12)S4—Pd1—S3—C235.3 (2)
O5—Pb1—N1—C2181.4 (12)S2—Pd1—S3—C23171.3 (2)
O2—Pb1—N1—C2198.7 (12)S1—Pd1—S4—C2426.3 (2)
N1—Pb1—O1—C1129.4 (4)S3—Pd1—S4—C24152.8 (2)
O7—Pb1—O1—C183.8 (4)C20—O1—C1—C6153.6 (5)
O3—Pb1—O1—C158.3 (4)Pb1—O1—C1—C662.0 (5)
O6—Pb1—O1—C1154.1 (4)C20—O1—C1—C282.3 (6)
O5—Pb1—O1—C1158.6 (3)Pb1—O1—C1—C262.1 (5)
O2—Pb1—O1—C132.5 (3)O1—C1—C2—C3177.9 (5)
N1—Pb1—O1—C2088.2 (4)C6—C1—C2—C356.0 (7)
O7—Pb1—O1—C2058.6 (4)C1—C2—C3—C456.0 (7)
O3—Pb1—O1—C20159.3 (3)C2—C3—C4—C556.8 (8)
O6—Pb1—O1—C2011.7 (3)C3—C4—C5—C655.9 (8)
O5—Pb1—O1—C2016.3 (4)C7—O2—C6—C1162.3 (5)
O2—Pb1—O1—C20174.8 (4)Pb1—O2—C6—C127.8 (5)
N1—Pb1—O2—C751.5 (3)C7—O2—C6—C575.9 (6)
O7—Pb1—O2—C7155.1 (3)Pb1—O2—C6—C5149.5 (4)
O1—Pb1—O2—C7134.3 (3)O1—C1—C6—O254.8 (6)
O3—Pb1—O2—C718.1 (3)C2—C1—C6—O269.1 (6)
O6—Pb1—O2—C7127.8 (3)O1—C1—C6—C5177.9 (5)
N1—Pb1—O2—C682.9 (3)C2—C1—C6—C553.9 (7)
O7—Pb1—O2—C670.6 (3)C4—C5—C6—O265.8 (7)
O1—Pb1—O2—C60.0 (3)C4—C5—C6—C153.4 (7)
O3—Pb1—O2—C6152.4 (4)C6—O2—C7—C8173.1 (5)
O6—Pb1—O2—C66.6 (4)Pb1—O2—C7—C848.9 (5)
N1—Pb1—O3—C8119.7 (4)C9—O3—C8—C7177.1 (5)
O7—Pb1—O3—C868.3 (4)Pb1—O3—C8—C747.8 (5)
O1—Pb1—O3—C841.1 (4)O2—C7—C8—O363.9 (6)
O6—Pb1—O3—C8112.2 (4)C8—O3—C9—C10173.0 (5)
O5—Pb1—O3—C8174.1 (3)Pb1—O3—C9—C1049.9 (6)
O2—Pb1—O3—C815.9 (3)C11—O4—C10—C9174.1 (5)
N1—Pb1—O3—C9106.5 (4)O3—C9—C10—O466.6 (7)
O7—Pb1—O3—C965.5 (5)C10—O4—C11—C16168.2 (5)
O1—Pb1—O3—C9175.0 (4)C10—O4—C11—C1271.2 (6)
O6—Pb1—O3—C9114.0 (4)O4—C11—C12—C1361.8 (7)
O5—Pb1—O3—C940.3 (4)C16—C11—C12—C1357.5 (7)
O2—Pb1—O3—C9149.7 (4)C11—C12—C13—C1458.0 (8)
N1—Pb1—O5—C16117.3 (3)C12—C13—C14—C1556.8 (8)
O7—Pb1—O5—C1688.2 (3)C13—C14—C15—C1655.4 (7)
O1—Pb1—O5—C16165.6 (3)C17—O5—C16—C11158.9 (5)
O3—Pb1—O5—C1652.4 (3)Pb1—O5—C16—C1158.3 (5)
O6—Pb1—O5—C16161.0 (3)C17—O5—C16—C1576.7 (6)
N1—Pb1—O5—C17101.3 (4)Pb1—O5—C16—C1566.1 (5)
O7—Pb1—O5—C1753.2 (3)O4—C11—C16—O557.3 (6)
O1—Pb1—O5—C1724.2 (4)C12—C11—C16—O5179.2 (5)
O3—Pb1—O5—C17166.1 (3)O4—C11—C16—C1567.3 (6)
O6—Pb1—O5—C1719.6 (3)C12—C11—C16—C1556.1 (7)
N1—Pb1—O6—C1867.8 (4)C14—C15—C16—O5177.2 (5)
O7—Pb1—O6—C18104.4 (4)C14—C15—C16—C1155.7 (7)
O1—Pb1—O6—C18160.8 (4)C16—O5—C17—C18168.8 (4)
O3—Pb1—O6—C1875.3 (5)Pb1—O5—C17—C1848.4 (5)
O5—Pb1—O6—C1814.6 (4)C19—O6—C18—C17174.8 (5)
O2—Pb1—O6—C18154.5 (4)Pb1—O6—C18—C1744.6 (6)
N1—Pb1—O6—C1972.3 (4)O5—C17—C18—O658.7 (6)
O7—Pb1—O6—C19115.5 (4)C18—O6—C19—C20167.1 (5)
O1—Pb1—O6—C1920.7 (3)Pb1—O6—C19—C2050.4 (6)
O3—Pb1—O6—C1964.9 (5)C1—O1—C20—C19174.8 (5)
O5—Pb1—O6—C19154.8 (4)Pb1—O1—C20—C1941.2 (6)
O2—Pb1—O6—C1914.3 (4)O6—C19—C20—O159.1 (7)
S4—Pd1—S1—C21154.9 (2)
Symmetry code: (i) x, y+1, z.
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
O7—H21···N2ii0.90 (3)1.93 (3)2.805 (7)165 (6)
O7—H22···S4i0.87 (2)2.54 (3)3.349 (4)154 (5)
Symmetry codes: (i) x, y+1, z; (ii) x+1/2, y+1/2, z+1/2.
 

Follow Acta Cryst. E
Sign up for e-alerts
Follow Acta Cryst. on Twitter
Follow us on facebook
Sign up for RSS feeds