Spectral, structural and theoretical study of the effects of thio­cyanato and dicyanamido ligands on the geometry of Pb^II complexes containing a triazinic ligand

Two lead(II) complexes of 5,6-bis­(furan-2-yl)-3-(pyridin-2-yl)-1,2,4-triazine (DFPT), namely one-dimensional (1D) catena-poly[[bis­[5,6-bis­(furan-2-yl)-3-(pyridin-2-yl-κN)-1,2,4-triazine-κN²]lead(II)]-di-μ-thio­cyanato-κ²N:S;κ²S:N], [Pb(NCS)₂(C₁₆H₁₀N₄O₂)₂]_n, 1, and binuclear di-μ-dicyanamido-κ²N¹:N⁵;κ²N⁵:N¹-bis­{[5,6-bis­(furan-2-yl)-3-(pyridin-2-yl-κN)-1,2,4-triazine-κN²](nitrato-κ²O,O′)lead(II)}, [Pb₂(C₂N₃)₂(NO₃)₂(C₁₆H₁₀N₄O₂)₄], 2, as well as DFPT itself, were prepared and identified by elemental analysis, FT–IR, ¹H NMR spectroscopy and single-crystal X-ray structural analyses. In the double-chain 1D coordination polymer of 1 and the binuclear structure of 2, the Pb atom has a hemidirected-PbN₆S₂ and a rare holodirected-PbN₆O₂ environment, respectively, with a distorted cubic geometry. All the coordination modes of dicyanamide ligands within lead complexes were studied using the Cambridge Structural Database (CSD) to compare them with the structures of 1 and 2. In addition to hydrogen bonds, the crystal networks are stabilized by π–π stacking inter­actions between the triazine, furyl and pyridine aromatic rings. The most stable theoretical structures of the title compounds predicted by density functional theory (DFT) calculations were compared with the solid-state results.

Computing details

Data collection: IPDS (Stoe & Cie, 2016) for DFPT, (1); X-AREA (Stoe & Cie, 2016) for (2). Cell refinement: IPDS (Stoe & Cie, 2016) for DFPT, (1); X-AREA (Stoe & Cie, 2016) for (2). Data reduction: IPDS (Stoe & Cie, 2016) for DFPT, (1); X-AREA (Stoe & Cie, 2016) for (2). For all structures, program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL2014 (Sheldrick, 2015); molecular graphics: ORTEPIII (Burnett & Johnson, 1996), ORTEP-3 for Windows (Farrugia, 2012) and DIAMOND (Bergerhof et al., 1996); software used to prepare material for publication: SHELXL2014 (Sheldrick, 2015).

5,6-Bis(furan-2-yl)-3-(pyridin-2-yl)-1,2,4-triazine (DFPT)

Crystal data

C16H10N4O2	F(000) = 600
Mr = 290.28	Dx = 1.447 Mg m^−3
Monoclinic, P21/n	Mo Kα radiation, λ = 0.71073 Å
a = 9.0313 (5) Å	Cell parameters from 4572 reflections
b = 10.2649 (6) Å	θ = 2.3–27.8°
c = 14.3901 (10) Å	µ = 0.10 mm^−1
β = 92.350 (8)°	T = 213 K
V = 1332.92 (14) Å^3	Fragment, yellow
Z = 4	0.45 × 0.30 × 0.25 mm

Data collection

Stoe IPDS-I diffractometer	Rint = 0.033
Radiation source: sealed tube	θmax = 26.0°, θmin = 2.4°
ω scans	h = −11→11
9209 measured reflections	k = −12→12
2582 independent reflections	l = −17→17
1612 reflections with I > 2σ(I)

Refinement

Refinement on F^2	0 restraints
Least-squares matrix: full	Hydrogen site location: inferred from neighbouring sites
R[F^2 > 2σ(F^2)] = 0.029	H-atom parameters constrained
wR(F^2) = 0.063	w = 1/[σ^2(Fo^2) + (0.034P)^2] where P = (Fo^2 + 2Fc^2)/3
S = 0.79	(Δ/σ)max < 0.001
2582 reflections	Δρmax = 0.14 e Å^−3
199 parameters	Δρmin = −0.18 e Å^−3

Special details

Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq
O1	0.08678 (11)	0.46708 (9)	0.58538 (6)	0.0401 (3)
O2	0.40802 (11)	0.42006 (10)	0.82745 (6)	0.0421 (3)
N1	0.30881 (13)	0.82349 (10)	0.44936 (8)	0.0367 (3)
N2	0.58661 (14)	0.64196 (12)	0.57811 (8)	0.0445 (3)
N3	0.59782 (13)	0.55538 (12)	0.64763 (8)	0.0431 (3)
N4	0.32660 (13)	0.61055 (10)	0.56387 (7)	0.0318 (3)
C1	0.30131 (18)	0.92320 (13)	0.39007 (10)	0.0430 (4)
H1	0.2070	0.9551	0.3718	0.052*
C2	0.42313 (19)	0.98242 (14)	0.35395 (10)	0.0457 (4)
H2	0.4118	1.0512	0.3112	0.055*
C3	0.56088 (19)	0.93876 (14)	0.38179 (10)	0.0455 (4)
H3	0.6461	0.9772	0.3584	0.055*
C4	0.57315 (16)	0.83736 (13)	0.44475 (9)	0.0381 (3)
H4	0.6667	0.8068	0.4659	0.046*
C5	0.44484 (16)	0.78163 (12)	0.47603 (9)	0.0318 (3)
C6	0.45205 (15)	0.67223 (12)	0.54392 (9)	0.0308 (3)
C7	0.47601 (15)	0.49637 (12)	0.67622 (9)	0.0313 (3)
C8	0.33814 (15)	0.51682 (12)	0.62822 (8)	0.0286 (3)
C9	0.20868 (15)	0.43596 (12)	0.64017 (9)	0.0300 (3)
C10	0.17997 (16)	0.32506 (13)	0.68800 (10)	0.0378 (3)
H10	0.2448	0.2822	0.7307	0.045*
C11	0.03441 (17)	0.28682 (14)	0.66130 (10)	0.0405 (4)
H11	−0.0165	0.2136	0.6828	0.049*
C12	−0.01713 (17)	0.37471 (13)	0.59959 (10)	0.0405 (4)
H12	−0.1120	0.3728	0.5702	0.049*
C13	0.50228 (15)	0.40957 (13)	0.75532 (9)	0.0315 (3)
C14	0.60415 (16)	0.31778 (13)	0.77474 (10)	0.0387 (3)
H14	0.6819	0.2929	0.7370	0.046*
C15	0.57280 (17)	0.26524 (14)	0.86280 (10)	0.0444 (4)
H15	0.6250	0.1984	0.8946	0.053*
C16	0.45481 (17)	0.32917 (15)	0.89171 (10)	0.0452 (4)
H16	0.4099	0.3139	0.9485	0.054*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
O1	0.0326 (6)	0.0407 (5)	0.0462 (6)	−0.0087 (5)	−0.0078 (5)	0.0119 (5)
O2	0.0370 (6)	0.0560 (6)	0.0337 (5)	0.0118 (5)	0.0053 (5)	0.0069 (5)
N1	0.0365 (8)	0.0345 (6)	0.0389 (6)	−0.0040 (5)	−0.0003 (5)	0.0043 (5)
N2	0.0331 (8)	0.0534 (8)	0.0470 (7)	−0.0050 (6)	−0.0001 (6)	0.0144 (6)
N3	0.0322 (8)	0.0525 (8)	0.0444 (7)	−0.0030 (6)	−0.0012 (6)	0.0121 (6)
N4	0.0313 (7)	0.0313 (6)	0.0328 (6)	−0.0031 (5)	0.0013 (5)	0.0005 (5)
C1	0.0455 (10)	0.0357 (8)	0.0476 (8)	−0.0040 (7)	−0.0026 (7)	0.0076 (7)
C2	0.0570 (12)	0.0366 (8)	0.0436 (8)	−0.0083 (8)	0.0042 (8)	0.0065 (7)
C3	0.0523 (11)	0.0420 (8)	0.0433 (8)	−0.0139 (8)	0.0149 (8)	0.0002 (7)
C4	0.0352 (9)	0.0404 (8)	0.0393 (8)	−0.0051 (7)	0.0065 (7)	−0.0021 (6)
C5	0.0349 (9)	0.0311 (7)	0.0296 (7)	−0.0048 (6)	0.0026 (6)	−0.0041 (6)
C6	0.0284 (9)	0.0343 (7)	0.0296 (7)	−0.0028 (6)	0.0015 (6)	−0.0033 (6)
C7	0.0296 (9)	0.0342 (7)	0.0299 (7)	0.0002 (6)	0.0010 (6)	−0.0031 (5)
C8	0.0300 (8)	0.0297 (7)	0.0263 (6)	0.0008 (6)	0.0027 (6)	−0.0017 (5)
C9	0.0284 (8)	0.0321 (7)	0.0292 (7)	0.0010 (6)	−0.0032 (6)	−0.0008 (6)
C10	0.0384 (9)	0.0355 (7)	0.0392 (8)	−0.0005 (6)	−0.0009 (6)	0.0069 (6)
C11	0.0430 (10)	0.0352 (8)	0.0434 (8)	−0.0109 (7)	0.0023 (7)	0.0044 (7)
C12	0.0322 (9)	0.0447 (8)	0.0444 (8)	−0.0142 (7)	−0.0027 (7)	0.0034 (7)
C13	0.0277 (8)	0.0367 (7)	0.0301 (7)	−0.0022 (6)	0.0017 (6)	−0.0019 (6)
C14	0.0334 (9)	0.0405 (8)	0.0424 (8)	0.0029 (7)	0.0020 (6)	−0.0023 (6)
C15	0.0422 (10)	0.0430 (8)	0.0475 (9)	0.0039 (7)	−0.0056 (7)	0.0104 (7)
C16	0.0410 (10)	0.0596 (10)	0.0350 (8)	−0.0011 (8)	0.0009 (7)	0.0158 (7)

Geometric parameters (Å, º)

O1—C12	1.3554 (16)	C4—H4	0.9400
O1—C9	1.3655 (16)	C5—C6	1.4882 (18)
O2—C16	1.3683 (17)	C7—C8	1.4145 (19)
O2—C13	1.3734 (15)	C7—C13	1.4573 (18)
N1—C1	1.3324 (17)	C8—C9	1.4498 (18)
N1—C5	1.3426 (18)	C9—C10	1.3607 (18)
N2—C6	1.3291 (18)	C10—C11	1.410 (2)
N2—N3	1.3389 (16)	C10—H10	0.9400
N3—C7	1.3355 (17)	C11—C12	1.336 (2)
N4—C8	1.3365 (15)	C11—H11	0.9400
N4—C6	1.3393 (17)	C12—H12	0.9400
C1—C2	1.377 (2)	C13—C14	1.3383 (19)
C1—H1	0.9400	C14—C15	1.4165 (19)
C2—C3	1.367 (2)	C14—H14	0.9400
C2—H2	0.9400	C15—C16	1.333 (2)
C3—C4	1.3815 (19)	C15—H15	0.9400
C3—H3	0.9400	C16—H16	0.9400
C4—C5	1.3839 (18)
C12—O1—C9	107.22 (10)	N4—C8—C7	119.16 (12)
C16—O2—C13	105.87 (11)	N4—C8—C9	117.00 (12)
C1—N1—C5	116.79 (12)	C7—C8—C9	123.72 (11)
C6—N2—N3	118.15 (11)	C10—C9—O1	108.78 (12)
C7—N3—N2	119.55 (12)	C10—C9—C8	135.26 (13)
C8—N4—C6	116.50 (12)	O1—C9—C8	115.63 (11)
N1—C1—C2	124.07 (16)	C9—C10—C11	106.85 (13)
N1—C1—H1	118.0	C9—C10—H10	126.6
C2—C1—H1	118.0	C11—C10—H10	126.6
C3—C2—C1	118.44 (14)	C12—C11—C10	106.77 (12)
C3—C2—H2	120.8	C12—C11—H11	126.6
C1—C2—H2	120.8	C10—C11—H11	126.6
C2—C3—C4	119.13 (14)	C11—C12—O1	110.37 (13)
C2—C3—H3	120.4	C11—C12—H12	124.8
C4—C3—H3	120.4	O1—C12—H12	124.8
C3—C4—C5	118.62 (15)	C14—C13—O2	109.85 (11)
C3—C4—H4	120.7	C14—C13—C7	133.01 (12)
C5—C4—H4	120.7	O2—C13—C7	117.14 (12)
N1—C5—C4	122.91 (13)	C13—C14—C15	107.10 (12)
N1—C5—C6	116.36 (11)	C13—C14—H14	126.5
C4—C5—C6	120.71 (13)	C15—C14—H14	126.5
N2—C6—N4	125.37 (12)	C16—C15—C14	106.47 (13)
N2—C6—C5	115.73 (11)	C16—C15—H15	126.8
N4—C6—C5	118.87 (12)	C14—C15—H15	126.8
N3—C7—C8	120.14 (12)	C15—C16—O2	110.71 (12)
N3—C7—C13	114.08 (13)	C15—C16—H16	124.6
C8—C7—C13	125.73 (12)	O2—C16—H16	124.6

catena-Poly[[bis[5,6-bis(furan-2-yl)-3-(pyridin-2-yl-κN)-1,2,4-triazine-κN²]lead(II)]-di-µ-thiocyanato-κ²N:S;κ²S:N] (1)

Crystal data

[Pb(NCS)2(C16H10N4O2)2]	F(000) = 1760
Mr = 903.91	Dx = 1.812 Mg m^−3
Monoclinic, P21/c	Mo Kα radiation, λ = 0.71073 Å
a = 19.7746 (9) Å	Cell parameters from 8000 reflections
b = 6.7721 (3) Å	θ = 2.1–26.0°
c = 25.0692 (8) Å	µ = 5.28 mm^−1
β = 99.286 (5)°	T = 213 K
V = 3313.2 (2) Å^3	Block, yellow
Z = 4	0.27 × 0.12 × 0.10 mm

Data collection

Stoe IPDS-I diffractometer	4911 reflections with I > 2σ(I)
Radiation source: sealed tube	Rint = 0.031
ω scans	θmax = 26.1°, θmin = 2.1°
Absorption correction: numerical (IPDS; Stoe & Cie, 2016)	h = −24→24
Tmin = 0.343, Tmax = 0.581	k = −8→8
20522 measured reflections	l = −29→28
6093 independent reflections

Refinement

Refinement on F^2	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F^2 > 2σ(F^2)] = 0.023	Hydrogen site location: inferred from neighbouring sites
wR(F^2) = 0.055	H-atom parameters constrained
S = 0.91	w = 1/[σ^2(Fo^2) + (0.0359P)^2] where P = (Fo^2 + 2Fc^2)/3
6093 reflections	(Δ/σ)max = 0.001
470 parameters	Δρmax = 0.72 e Å^−3
4 restraints	Δρmin = −0.35 e Å^−3

Special details

Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes.

Refinement. Data were collected at 213 K for DFPT and 1 using a STOE IPDS-I and at 200 K for 2 using a STOE IPDS-2T diffractometer equipped with a sealed X-ray tube (Mo Kα radiation). Intensity data were collected using ω scans. All data were corrected for Lorentz and polarization effects; absorption effects were corrected based on numerical absorption corrections using Stoe X-Area software . Structures were solved by direct methods (ShelxS) and refined by the full-matrix least-squares method against F² by using ShelxL . Diagrams of the molecular structure and unit cell were created using Ortep-III and Diamond software. Details of crystal data, data collection, structure solutions and refinements are given in Table 1. Selected bond lengths and angles of complexes are listed in Table 2 and hydrogen bond geometries are given in Table 3.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq	Occ. (<1)
C1	0.0915 (2)	0.7415 (6)	0.0676 (2)	0.0408 (10)
H1	0.0897	0.7097	0.1038	0.049*
C2	0.0325 (2)	0.7290 (6)	0.0308 (2)	0.0484 (11)
H2	−0.0084	0.6874	0.0419	0.058*
C3	0.0333 (2)	0.7774 (6)	−0.0221 (2)	0.0487 (11)
H3	−0.0068	0.7706	−0.0478	0.058*
C4	0.0944 (2)	0.8364 (6)	−0.03682 (19)	0.0400 (9)
H4	0.0969	0.8710	−0.0728	0.048*
C5	0.15230 (19)	0.8434 (5)	0.00279 (16)	0.0311 (8)
C6	0.21869 (19)	0.9062 (5)	−0.01163 (16)	0.0309 (8)
C7	0.3355 (2)	1.0258 (6)	−0.03495 (18)	0.0378 (9)
C8	0.2792 (2)	0.9961 (5)	−0.07681 (17)	0.0347 (9)
C9	0.2802 (2)	1.0363 (5)	−0.13327 (18)	0.0383 (9)
C10	0.3275 (3)	1.0963 (6)	−0.16333 (19)	0.0483 (11)
H10	0.3738	1.1249	−0.1507	0.058*
C11	0.2934 (3)	1.1075 (6)	−0.21778 (19)	0.0537 (13)
H11	0.3129	1.1442	−0.2481	0.064*
C12	0.2291 (3)	1.0561 (6)	−0.2172 (2)	0.0532 (13)
H12	0.1950	1.0515	−0.2480	0.064*
C13	0.4011 (2)	1.1034 (8)	−0.0445 (2)	0.0527 (12)
C14	0.4294 (4)	1.2827 (12)	−0.0376 (3)	0.089 (2)
H14	0.4104	1.3939	−0.0231	0.107*
C15	0.4923 (4)	1.2740 (16)	−0.0561 (3)	0.103 (3)
H15	0.5240	1.3776	−0.0561	0.124*
C16	0.4986 (3)	1.0929 (14)	−0.0735 (3)	0.089 (2)
H16	0.5364	1.0462	−0.0882	0.106*
N1	0.15144 (16)	0.7963 (4)	0.05460 (14)	0.0324 (7)
N2	0.27007 (17)	0.9359 (5)	0.02877 (14)	0.0346 (7)
N3	0.32990 (17)	0.9961 (5)	0.01652 (15)	0.0381 (8)
N4	0.22038 (17)	0.9331 (4)	−0.06388 (14)	0.0339 (7)
O1	0.21875 (17)	1.0110 (4)	−0.16644 (13)	0.0462 (7)
O2	0.4427 (2)	0.9814 (6)	−0.06725 (18)	0.0741 (11)
C17	0.4275 (2)	0.7721 (6)	0.2223 (2)	0.0428 (10)
H17	0.4357	0.7361	0.1877	0.051*
C18	0.4822 (2)	0.7774 (7)	0.2636 (2)	0.0495 (12)
H18	0.5265	0.7452	0.2574	0.059*
C19	0.4707 (2)	0.8306 (7)	0.3141 (2)	0.0525 (12)
H19	0.5073	0.8364	0.3432	0.063*
C20	0.4055 (2)	0.8753 (6)	0.32191 (19)	0.0437 (10)
H20	0.3964	0.9119	0.3562	0.052*
C21	0.35310 (19)	0.8654 (5)	0.27802 (16)	0.0319 (8)
C22	0.28192 (19)	0.9098 (5)	0.28533 (16)	0.0299 (8)
C23	0.1557 (2)	0.9778 (5)	0.29709 (16)	0.0325 (8)
C24	0.2087 (2)	0.9819 (5)	0.34278 (16)	0.0303 (8)
C25	0.1971 (2)	1.0371 (5)	0.39632 (17)	0.0358 (9)
C26	0.1433 (2)	1.1141 (5)	0.41609 (16)	0.0356 (8)
H26	0.1000	1.1430	0.3961	0.043*
C27	0.1630 (3)	1.1429 (6)	0.47115 (18)	0.0451 (10)
H27	0.1359	1.1944	0.4954	0.054*
C28	0.2278 (3)	1.0837 (6)	0.48309 (19)	0.0499 (12)
H28	0.2540	1.0868	0.5179	0.060*
C29	0.0832 (2)	1.0117 (6)	0.30058 (18)	0.0394 (9)
C30	0.0399 (3)	1.1547 (8)	0.2831 (2)	0.0573 (13)
H30	0.0482	1.2621	0.2613	0.069*
C31	−0.0213 (2)	1.1153 (9)	0.3034 (2)	0.0608 (13)
H31	−0.0615	1.1916	0.2977	0.073*
C32	−0.0113 (2)	0.9524 (8)	0.3315 (2)	0.0517 (12)
H32	−0.0440	0.8926	0.3497	0.062*
N5	0.36357 (16)	0.8150 (4)	0.22837 (14)	0.0336 (7)
N6	0.23487 (16)	0.9220 (4)	0.24149 (13)	0.0306 (7)
N7	0.16989 (16)	0.9510 (5)	0.24800 (14)	0.0340 (7)
N8	0.27170 (16)	0.9394 (4)	0.33601 (14)	0.0320 (7)
O3	0.05333 (15)	0.8809 (4)	0.33090 (13)	0.0459 (7)
O4	0.25119 (17)	1.0171 (4)	0.43719 (13)	0.0464 (7)
Pb1	0.26294 (2)	0.86743 (2)	0.13827 (2)	0.02827 (5)
S1	0.15292 (5)	1.19475 (14)	0.11297 (5)	0.0393 (2)
C33	0.18291 (18)	1.3997 (5)	0.14137 (16)	0.0319 (8)
N9	0.2022 (2)	1.5485 (5)	0.16146 (15)	0.0427 (8)
S2A	0.35385 (8)	0.5533 (2)	0.09638 (7)	0.0385 (5)	0.809 (7)
C34A	0.3468 (3)	0.3502 (6)	0.1301 (3)	0.0361 (13)	0.809 (7)
N10A	0.3449 (9)	0.203 (2)	0.1536 (10)	0.046 (3)	0.809 (7)
S2B	0.3618 (13)	0.212 (3)	0.1562 (14)	0.046 (3)	0.191 (7)
C34B	0.3448 (19)	0.419 (3)	0.1241 (14)	0.0361 (13)	0.191 (7)
N10B	0.3320 (14)	0.566 (3)	0.1003 (11)	0.0385 (5)	0.191 (7)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
C1	0.038 (2)	0.042 (2)	0.043 (3)	−0.0034 (17)	0.0090 (19)	0.0082 (18)
C2	0.036 (2)	0.046 (2)	0.063 (4)	−0.0032 (18)	0.009 (2)	0.001 (2)
C3	0.037 (2)	0.049 (2)	0.055 (4)	0.0012 (19)	−0.008 (2)	−0.007 (2)
C4	0.042 (2)	0.041 (2)	0.033 (3)	0.0065 (17)	−0.0045 (17)	−0.0039 (16)
C5	0.038 (2)	0.0235 (16)	0.031 (2)	0.0017 (14)	0.0025 (15)	−0.0052 (14)
C6	0.039 (2)	0.0246 (17)	0.029 (2)	0.0050 (14)	0.0055 (16)	−0.0003 (14)
C7	0.043 (2)	0.041 (2)	0.031 (3)	0.0056 (17)	0.0107 (18)	0.0016 (16)
C8	0.049 (2)	0.0281 (17)	0.028 (3)	0.0084 (16)	0.0084 (18)	−0.0007 (15)
C9	0.059 (3)	0.0322 (19)	0.025 (3)	0.0080 (18)	0.0101 (19)	−0.0014 (15)
C10	0.072 (3)	0.039 (2)	0.038 (3)	0.007 (2)	0.021 (2)	0.0037 (18)
C11	0.100 (4)	0.041 (2)	0.024 (3)	0.011 (3)	0.021 (2)	0.0015 (18)
C12	0.094 (4)	0.045 (2)	0.020 (3)	0.011 (2)	0.008 (2)	−0.0048 (17)
C13	0.045 (2)	0.081 (3)	0.033 (3)	−0.002 (2)	0.0106 (19)	0.008 (2)
C14	0.076 (4)	0.109 (5)	0.089 (6)	−0.035 (4)	0.033 (4)	−0.012 (4)
C15	0.071 (4)	0.164 (8)	0.080 (6)	−0.048 (5)	0.026 (4)	0.001 (5)
C16	0.049 (3)	0.166 (7)	0.055 (5)	−0.004 (4)	0.020 (3)	0.027 (4)
N1	0.0351 (17)	0.0320 (15)	0.029 (2)	−0.0020 (13)	0.0026 (14)	0.0005 (12)
N2	0.0353 (18)	0.0431 (17)	0.026 (2)	0.0020 (13)	0.0062 (14)	0.0032 (13)
N3	0.0363 (18)	0.0512 (19)	0.028 (2)	0.0024 (15)	0.0085 (14)	0.0031 (14)
N4	0.0449 (19)	0.0319 (15)	0.025 (2)	0.0042 (13)	0.0057 (14)	0.0023 (12)
O1	0.066 (2)	0.0486 (16)	0.023 (2)	0.0068 (14)	0.0043 (14)	−0.0033 (12)
O2	0.055 (2)	0.107 (3)	0.066 (3)	0.014 (2)	0.028 (2)	0.013 (2)
C17	0.036 (2)	0.048 (2)	0.046 (3)	0.0022 (18)	0.0106 (19)	−0.0058 (19)
C18	0.031 (2)	0.052 (2)	0.065 (4)	0.0015 (19)	0.007 (2)	−0.005 (2)
C19	0.037 (2)	0.066 (3)	0.050 (3)	−0.005 (2)	−0.006 (2)	−0.002 (2)
C20	0.040 (2)	0.052 (2)	0.037 (3)	−0.0065 (19)	0.0002 (17)	−0.0040 (19)
C21	0.0334 (18)	0.0285 (16)	0.034 (2)	−0.0048 (15)	0.0049 (15)	0.0014 (15)
C22	0.0329 (19)	0.0261 (17)	0.030 (2)	−0.0059 (14)	0.0044 (15)	−0.0001 (14)
C23	0.038 (2)	0.0353 (18)	0.026 (2)	−0.0003 (15)	0.0112 (16)	0.0014 (15)
C24	0.040 (2)	0.0260 (17)	0.025 (2)	−0.0041 (15)	0.0060 (16)	0.0000 (14)
C25	0.051 (2)	0.0322 (18)	0.023 (3)	−0.0083 (17)	0.0043 (18)	0.0025 (15)
C26	0.041 (2)	0.0391 (19)	0.027 (2)	−0.0069 (17)	0.0075 (16)	−0.0045 (16)
C27	0.066 (3)	0.040 (2)	0.032 (3)	−0.011 (2)	0.017 (2)	−0.0054 (18)
C28	0.084 (4)	0.041 (2)	0.022 (3)	−0.015 (2)	0.002 (2)	0.0047 (17)
C29	0.037 (2)	0.056 (2)	0.026 (3)	−0.0015 (18)	0.0073 (17)	0.0011 (17)
C30	0.051 (3)	0.076 (3)	0.045 (3)	0.015 (2)	0.010 (2)	0.022 (2)
C31	0.038 (2)	0.096 (4)	0.051 (3)	0.019 (3)	0.011 (2)	0.001 (3)
C32	0.033 (2)	0.083 (3)	0.041 (3)	−0.004 (2)	0.012 (2)	−0.008 (2)
N5	0.0331 (17)	0.0337 (15)	0.033 (2)	0.0000 (12)	0.0031 (14)	0.0004 (13)
N6	0.0313 (16)	0.0369 (16)	0.024 (2)	−0.0028 (12)	0.0049 (13)	−0.0019 (12)
N7	0.0312 (17)	0.0435 (17)	0.027 (2)	−0.0012 (13)	0.0045 (14)	−0.0003 (13)
N8	0.0355 (17)	0.0320 (15)	0.028 (2)	−0.0035 (13)	0.0027 (14)	0.0003 (12)
O3	0.0400 (15)	0.0564 (17)	0.043 (2)	−0.0074 (14)	0.0118 (13)	0.0019 (14)
O4	0.060 (2)	0.0460 (16)	0.031 (2)	−0.0035 (14)	0.0022 (14)	0.0030 (12)
Pb1	0.03037 (7)	0.02846 (7)	0.02708 (9)	0.00002 (6)	0.00792 (5)	0.00105 (6)
S1	0.0360 (5)	0.0373 (5)	0.0430 (7)	0.0056 (4)	0.0011 (4)	−0.0041 (4)
C33	0.0302 (18)	0.039 (2)	0.028 (2)	0.0083 (15)	0.0091 (15)	0.0054 (16)
N9	0.058 (2)	0.0393 (18)	0.030 (2)	−0.0046 (16)	0.0051 (17)	0.0016 (14)
S2A	0.0374 (10)	0.0418 (7)	0.0379 (9)	−0.0009 (6)	0.0111 (7)	0.0009 (5)
C34A	0.026 (2)	0.036 (4)	0.045 (3)	−0.002 (3)	0.0034 (19)	−0.008 (3)
N10A	0.040 (9)	0.0350 (19)	0.060 (3)	−0.007 (4)	−0.004 (6)	0.004 (2)
S2B	0.040 (9)	0.0350 (19)	0.060 (3)	−0.007 (4)	−0.004 (6)	0.004 (2)
C34B	0.026 (2)	0.036 (4)	0.045 (3)	−0.002 (3)	0.0034 (19)	−0.008 (3)
N10B	0.0374 (10)	0.0418 (7)	0.0379 (9)	−0.0009 (6)	0.0111 (7)	0.0009 (5)

Geometric parameters (Å, º)

C1—N1	1.331 (5)	C22—N6	1.323 (5)
C1—C2	1.368 (6)	C22—N8	1.334 (5)
C1—H1	0.9400	C23—N7	1.318 (5)
C2—C3	1.370 (7)	C23—C24	1.422 (6)
C2—H2	0.9400	C23—C29	1.468 (6)
C3—C4	1.377 (6)	C24—N8	1.317 (5)
C3—H3	0.9400	C24—C25	1.446 (6)
C4—C5	1.390 (6)	C25—C26	1.349 (6)
C4—H4	0.9400	C25—O4	1.363 (5)
C5—N1	1.340 (5)	C26—C27	1.386 (6)
C5—C6	1.479 (5)	C26—H26	0.9400
C6—N4	1.328 (5)	C27—C28	1.329 (7)
C6—N2	1.329 (5)	C27—H27	0.9400
C7—N3	1.328 (5)	C28—O4	1.383 (6)
C7—C8	1.416 (6)	C28—H28	0.9400
C7—C13	1.455 (6)	C29—C30	1.320 (6)
C8—N4	1.327 (5)	C29—O3	1.363 (5)
C8—C9	1.445 (6)	C30—C31	1.411 (7)
C9—C10	1.355 (6)	C30—H30	0.9400
C9—O1	1.368 (6)	C31—C32	1.308 (7)
C10—C11	1.423 (7)	C31—H31	0.9400
C10—H10	0.9400	C32—O3	1.369 (5)
C11—C12	1.321 (8)	C32—H32	0.9400
C11—H11	0.9400	N5—Pb1	2.781 (3)
C12—O1	1.356 (6)	N6—N7	1.336 (4)
C12—H12	0.9400	N6—Pb1	2.758 (3)
C13—C14	1.336 (8)	Pb1—N9^i	2.583 (3)
C13—O2	1.356 (6)	Pb1—N10B	2.71 (2)
C14—C15	1.398 (10)	Pb1—N10A^ii	2.781 (15)
C14—H14	0.9400	Pb1—S2B^ii	3.03 (2)
C15—C16	1.314 (11)	Pb1—S2A	3.0771 (16)
C15—H15	0.9400	Pb1—S1	3.0991 (10)
C16—O2	1.368 (8)	S1—C33	1.628 (4)
C16—H16	0.9400	C33—N9	1.163 (5)
N2—N3	1.333 (5)	N9—Pb1^ii	2.583 (3)
C17—N5	1.330 (5)	S2A—C34B	1.173 (18)
C17—C18	1.371 (7)	S2A—C34A	1.632 (3)
C17—H17	0.9400	C34A—S2B	1.154 (13)
C18—C19	1.370 (7)	C34A—N10A	1.163 (4)
C18—H18	0.9400	C34A—N10B	1.644 (13)
C19—C20	1.370 (6)	N10A—C34B	1.643 (16)
C19—H19	0.9400	N10A—Pb1^i	2.781 (15)
C20—C21	1.385 (6)	S2B—C34B	1.628 (3)
C20—H20	0.9400	S2B—Pb1^i	3.03 (2)
C21—N5	1.339 (5)	C34B—N10B	1.163 (4)
C21—C22	1.479 (5)
N1—C1—C2	123.3 (5)	C28—C27—C26	106.7 (4)
N1—C1—H1	118.3	C28—C27—H27	126.6
C2—C1—H1	118.3	C26—C27—H27	126.6
C1—C2—C3	119.7 (4)	C27—C28—O4	110.5 (4)
C1—C2—H2	120.2	C27—C28—H28	124.7
C3—C2—H2	120.2	O4—C28—H28	124.7
C2—C3—C4	118.5 (4)	C30—C29—O3	110.2 (4)
C2—C3—H3	120.8	C30—C29—C23	133.1 (4)
C4—C3—H3	120.8	O3—C29—C23	116.6 (4)
C3—C4—C5	118.4 (4)	C29—C30—C31	106.9 (5)
C3—C4—H4	120.8	C29—C30—H30	126.5
C5—C4—H4	120.8	C31—C30—H30	126.5
N1—C5—C4	123.1 (4)	C32—C31—C30	106.9 (4)
N1—C5—C6	117.1 (3)	C32—C31—H31	126.6
C4—C5—C6	119.8 (4)	C30—C31—H31	126.6
N4—C6—N2	126.4 (4)	C31—C32—O3	110.6 (4)
N4—C6—C5	116.4 (3)	C31—C32—H32	124.7
N2—C6—C5	117.2 (3)	O3—C32—H32	124.7
N3—C7—C8	121.3 (4)	C17—N5—C21	117.0 (4)
N3—C7—C13	115.5 (4)	C17—N5—Pb1	120.3 (3)
C8—C7—C13	123.1 (4)	C21—N5—Pb1	121.7 (2)
N4—C8—C7	118.7 (4)	C22—N6—N7	118.0 (3)
N4—C8—C9	116.8 (4)	C22—N6—Pb1	123.4 (2)
C7—C8—C9	124.5 (4)	N7—N6—Pb1	118.5 (2)
C10—C9—O1	109.0 (4)	C23—N7—N6	119.2 (3)
C10—C9—C8	136.2 (5)	C24—N8—C22	116.6 (3)
O1—C9—C8	114.9 (4)	C29—O3—C32	105.5 (4)
C9—C10—C11	106.7 (5)	C25—O4—C28	105.4 (4)
C9—C10—H10	126.7	N9^i—Pb1—N10B	74.2 (5)
C11—C10—H10	126.7	N9^i—Pb1—N6	74.31 (10)
C12—C11—C10	106.5 (4)	N10B—Pb1—N6	128.2 (4)
C12—C11—H11	126.8	N9^i—Pb1—N10A^ii	159.0 (4)
C10—C11—H11	126.8	N10B—Pb1—N10A^ii	110.4 (8)
C11—C12—O1	111.1 (5)	N6—Pb1—N10A^ii	87.8 (6)
C11—C12—H12	124.4	N9^i—Pb1—N5	90.48 (10)
O1—C12—H12	124.4	N10B—Pb1—N5	81.6 (6)
C14—C13—O2	109.7 (5)	N6—Pb1—N5	58.74 (9)
C14—C13—C7	132.3 (5)	N10A^ii—Pb1—N5	70.6 (3)
O2—C13—C7	117.9 (5)	N9^i—Pb1—S2B^ii	157.3 (5)
C13—C14—C15	107.2 (7)	N10B—Pb1—S2B^ii	106.4 (8)
C13—C14—H14	126.4	N6—Pb1—S2B^ii	88.9 (7)
C15—C14—H14	126.4	N10A^ii—Pb1—S2B^ii	4.4 (8)
C16—C15—C14	106.6 (7)	N5—Pb1—S2B^ii	67.5 (4)
C16—C15—H15	126.7	N9^i—Pb1—S2A	79.48 (9)
C14—C15—H15	126.7	N10B—Pb1—S2A	5.8 (6)
C15—C16—O2	110.8 (6)	N6—Pb1—S2A	129.06 (7)
C15—C16—H16	124.6	N10A^ii—Pb1—S2A	104.6 (5)
O2—C16—H16	124.6	N5—Pb1—S2A	78.94 (7)
C1—N1—C5	117.0 (4)	S2B^ii—Pb1—S2A	100.6 (7)
C6—N2—N3	117.9 (3)	N9^i—Pb1—S1	107.90 (9)
C7—N3—N2	119.1 (4)	N10B—Pb1—S1	147.5 (5)
C8—N4—C6	116.6 (4)	N6—Pb1—S1	81.67 (7)
C12—O1—C9	106.8 (4)	N10A^ii—Pb1—S1	79.5 (3)
C13—O2—C16	105.6 (5)	N5—Pb1—S1	130.10 (7)
N5—C17—C18	123.8 (4)	S2B^ii—Pb1—S1	83.9 (5)
N5—C17—H17	118.1	S2A—Pb1—S1	148.66 (4)
C18—C17—H17	118.1	C33—S1—Pb1	109.04 (13)
C19—C18—C17	118.5 (4)	N9—C33—S1	177.8 (3)
C19—C18—H18	120.8	C33—N9—Pb1^ii	139.4 (3)
C17—C18—H18	120.8	C34B—S2A—C34A	7.4 (19)
C18—C19—C20	119.3 (4)	C34B—S2A—Pb1	100.4 (17)
C18—C19—H19	120.3	C34A—S2A—Pb1	107.6 (2)
C20—C19—H19	120.3	S2B—C34A—N10A	17 (2)
C19—C20—C21	118.5 (4)	S2B—C34A—S2A	160.5 (14)
C19—C20—H20	120.8	N10A—C34A—S2A	176.7 (12)
C21—C20—H20	120.8	S2B—C34A—N10B	172 (2)
N5—C21—C20	122.9 (4)	N10A—C34A—N10B	166.9 (15)
N5—C21—C22	117.4 (3)	S2A—C34A—N10B	16.4 (10)
C20—C21—C22	119.7 (4)	C34A—N10A—C34B	4.5 (16)
N6—C22—N8	126.0 (3)	C34A—N10A—Pb1^i	134.2 (13)
N6—C22—C21	117.8 (3)	C34B—N10A—Pb1^i	135.1 (17)
N8—C22—C21	116.2 (3)	C34A—S2B—C34B	5.5 (17)
N7—C23—C24	121.0 (4)	C34A—S2B—Pb1^i	116.2 (17)
N7—C23—C29	115.7 (4)	C34B—S2B—Pb1^i	121.0 (17)
C24—C23—C29	123.2 (4)	N10B—C34B—S2A	23.0 (14)
N8—C24—C23	118.8 (3)	N10B—C34B—S2B	179 (4)
N8—C24—C25	118.1 (4)	S2A—C34B—S2B	157 (3)
C23—C24—C25	123.1 (4)	N10B—C34B—N10A	167 (4)
C26—C25—O4	109.4 (4)	S2A—C34B—N10A	165 (3)
C26—C25—C24	133.8 (4)	S2B—C34B—N10A	11.7 (14)
O4—C25—C24	116.7 (4)	C34B—N10B—C34A	4 (2)
C25—C26—C27	108.0 (4)	C34B—N10B—Pb1	123 (3)
C25—C26—H26	126.0	C34A—N10B—Pb1	124.9 (14)
C27—C26—H26	126.0

Symmetry codes: (i) x, y−1, z; (ii) x, y+1, z.

Di-µ-dicyanamido-κ²N¹:N⁵;κ²N⁵:N¹-bis{[5,6-bis(furan-2-yl)-3-(pyridin-2-yl-κN)-1,2,4-triazine-κN²](nitrato-κ²O,O')lead(II)} (2)

Crystal data

[Pb2(C2N3)2(NO3)2(C16H10N4O2)4]	Z = 1
Mr = 1831.62	F(000) = 892
Triclinic, P1	Dx = 1.776 Mg m^−3
a = 10.5123 (8) Å	Mo Kα radiation, λ = 0.71073 Å
b = 12.2682 (8) Å	Cell parameters from 22877 reflections
c = 15.6379 (10) Å	θ = 1.9–29.5°
α = 66.834 (5)°	µ = 4.99 mm^−1
β = 80.260 (6)°	T = 200 K
γ = 67.514 (5)°	Block, fragment, yellow
V = 1712.8 (2) Å^3	0.33 × 0.21 × 0.21 mm

Data collection

Stoe IPDS-2T diffractometer	6299 reflections with I > 2σ(I)
Radiation source: sealed tube	Rint = 0.026
ω scans	θmax = 27.0°, θmin = 1.9°
Absorption correction: numerical (X-AREA; Stoe & Cie, 2016)	h = −13→13
Tmin = 0.310, Tmax = 0.451	k = −15→15
22922 measured reflections	l = −19→19
7484 independent reflections

Refinement

Refinement on F^2	Secondary atom site location: difference Fourier map
Least-squares matrix: full	Hydrogen site location: inferred from neighbouring sites
R[F^2 > 2σ(F^2)] = 0.026	H-atom parameters constrained
wR(F^2) = 0.057	w = 1/[σ^2(Fo^2) + (0.0357P)^2] where P = (Fo^2 + 2Fc^2)/3
S = 0.93	(Δ/σ)max = 0.003
7484 reflections	Δρmax = 0.85 e Å^−3
488 parameters	Δρmin = −0.77 e Å^−3
0 restraints	Extinction correction: SHELXL2014 (Sheldrick, 2015), Fc^*=kFc[1+0.001xFc^2λ^3/sin(2θ)]^-1/4
Primary atom site location: structure-invariant direct methods	Extinction coefficient: 0.00200 (18)

Special details

Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq
Pb1	0.19647 (2)	0.52110 (2)	0.70164 (2)	0.04116 (5)
O1	0.7403 (2)	−0.1099 (2)	0.95621 (18)	0.0457 (6)
O2	0.4510 (3)	−0.1067 (2)	0.76653 (18)	0.0502 (6)
O3	−0.2557 (4)	1.2007 (3)	0.6365 (3)	0.0800 (10)
O4	0.1218 (3)	1.0497 (2)	0.8014 (2)	0.0571 (7)
O5	0.0368 (5)	0.3791 (4)	0.7511 (4)	0.1130 (16)
O6	−0.0192 (5)	0.5078 (5)	0.8177 (4)	0.130 (2)
O7	−0.1095 (5)	0.3641 (4)	0.8647 (3)	0.1011 (13)
N1	0.3126 (3)	0.4341 (3)	0.8701 (2)	0.0464 (7)
N2	0.3742 (3)	0.2744 (3)	0.7780 (2)	0.0457 (7)
N3	0.3924 (3)	0.1937 (3)	0.7349 (2)	0.0468 (7)
N4	0.5409 (3)	0.1177 (2)	0.89064 (19)	0.0375 (6)
N5	0.0213 (4)	0.6985 (3)	0.5624 (2)	0.0539 (8)
N6	0.0704 (3)	0.7635 (3)	0.6974 (2)	0.0444 (7)
N7	0.1075 (3)	0.7969 (3)	0.7586 (2)	0.0426 (6)
N8	−0.0947 (3)	0.9684 (3)	0.6333 (2)	0.0404 (6)
C1	0.2774 (4)	0.5124 (3)	0.9167 (3)	0.0526 (9)
H1	0.2086	0.5933	0.8917	0.063*
C2	0.3357 (4)	0.4820 (3)	0.9994 (3)	0.0521 (9)
H2	0.3056	0.5394	1.0316	0.063*
C3	0.4390 (4)	0.3662 (3)	1.0345 (3)	0.0489 (8)
H3	0.4830	0.3436	1.0903	0.059*
C4	0.4777 (4)	0.2835 (3)	0.9872 (2)	0.0421 (7)
H4	0.5486	0.2033	1.0100	0.051*
C5	0.4106 (3)	0.3202 (3)	0.9059 (2)	0.0379 (7)
C6	0.4430 (3)	0.2327 (3)	0.8552 (2)	0.0364 (7)
C7	0.4830 (3)	0.0776 (3)	0.7679 (2)	0.0386 (7)
C8	0.5655 (3)	0.0389 (3)	0.8449 (2)	0.0360 (7)
C9	0.6781 (3)	−0.0815 (3)	0.8762 (2)	0.0357 (7)
C10	0.7406 (4)	−0.1759 (3)	0.8419 (3)	0.0426 (8)
H10	0.7174	−0.1796	0.7872	0.051*
C11	0.8476 (4)	−0.2681 (3)	0.9042 (3)	0.0481 (8)
H11	0.9102	−0.3455	0.8994	0.058*
C12	0.8426 (4)	−0.2244 (3)	0.9706 (3)	0.0497 (9)
H12	0.9028	−0.2676	1.0218	0.060*
C13	0.4931 (4)	−0.0052 (3)	0.7179 (2)	0.0408 (7)
C14	0.5388 (4)	−0.0045 (4)	0.6326 (3)	0.0520 (9)
H14	0.5731	0.0559	0.5859	0.062*
C15	0.5259 (5)	−0.1124 (4)	0.6257 (3)	0.0604 (11)
H15	0.5500	−0.1381	0.5734	0.072*
C16	0.4730 (5)	−0.1700 (4)	0.7073 (3)	0.0573 (10)
H16	0.4533	−0.2450	0.7222	0.069*
C17	−0.0031 (5)	0.6656 (4)	0.4958 (3)	0.0648 (11)
H17	0.0489	0.5831	0.4955	0.078*
C18	−0.0995 (5)	0.7454 (4)	0.4282 (3)	0.0606 (11)
H18	−0.1143	0.7179	0.3830	0.073*
C19	−0.1740 (4)	0.8657 (4)	0.4273 (3)	0.0572 (10)
H19	−0.2407	0.9228	0.3810	0.069*
C20	−0.1505 (4)	0.9025 (4)	0.4948 (3)	0.0501 (9)
H20	−0.2006	0.9851	0.4954	0.060*
C21	−0.0531 (4)	0.8167 (3)	0.5609 (2)	0.0424 (8)
C22	−0.0234 (3)	0.8518 (3)	0.6345 (2)	0.0386 (7)
C23	0.0455 (3)	0.9135 (3)	0.7590 (2)	0.0373 (7)
C24	−0.0659 (3)	1.0012 (3)	0.6981 (2)	0.0376 (7)
C25	−0.1560 (4)	1.1225 (3)	0.7014 (3)	0.0435 (8)
C26	−0.1608 (4)	1.1708 (4)	0.7657 (3)	0.0496 (9)
H26	−0.1049	1.1333	0.8187	0.060*
C27	−0.2686 (6)	1.2909 (5)	0.7368 (5)	0.0893 (19)
H27	−0.2951	1.3509	0.7665	0.107*
C28	−0.3245 (5)	1.3051 (4)	0.6640 (5)	0.0882 (19)
H28	−0.4012	1.3760	0.6335	0.106*
C29	0.0972 (3)	0.9383 (3)	0.8284 (2)	0.0389 (7)
C30	0.1317 (4)	0.8678 (4)	0.9180 (3)	0.0607 (11)
H30	0.1297	0.7853	0.9537	0.073*
C31	0.1733 (4)	0.9506 (4)	0.9470 (3)	0.0567 (10)
H31	0.2001	0.9318	1.0077	0.068*
C32	0.1672 (4)	1.0519 (5)	0.8766 (3)	0.0621 (11)
H32	0.1912	1.1188	0.8771	0.075*
N9	−0.0340 (4)	0.4182 (4)	0.8110 (3)	0.0612 (9)
N10	0.2958 (5)	0.4491 (4)	0.5588 (3)	0.0791 (12)
N11	0.4710 (5)	0.3149 (3)	0.4821 (3)	0.0754 (11)
N12	0.6015 (5)	0.3909 (4)	0.3415 (4)	0.0839 (13)
C33	0.3782 (5)	0.3902 (4)	0.5203 (3)	0.0599 (10)
C34	0.5401 (5)	0.3589 (4)	0.4093 (3)	0.0597 (11)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Pb1	0.04834 (8)	0.03619 (7)	0.04197 (8)	−0.01221 (5)	−0.00107 (5)	−0.01954 (5)
O1	0.0465 (13)	0.0424 (12)	0.0497 (15)	−0.0095 (10)	−0.0082 (11)	−0.0211 (11)
O2	0.0699 (17)	0.0494 (14)	0.0456 (15)	−0.0308 (13)	0.0009 (12)	−0.0226 (12)
O3	0.075 (2)	0.0634 (19)	0.091 (3)	−0.0178 (17)	−0.0173 (19)	−0.0176 (18)
O4	0.0625 (17)	0.0504 (14)	0.0697 (19)	−0.0225 (13)	−0.0058 (14)	−0.0284 (14)
O5	0.130 (3)	0.113 (3)	0.151 (4)	−0.076 (3)	0.071 (3)	−0.100 (3)
O6	0.139 (4)	0.168 (4)	0.177 (5)	−0.101 (4)	0.089 (4)	−0.146 (4)
O7	0.109 (3)	0.126 (3)	0.085 (3)	−0.069 (3)	0.031 (2)	−0.041 (3)
N1	0.0584 (18)	0.0345 (14)	0.0451 (17)	−0.0110 (13)	0.0009 (14)	−0.0190 (13)
N2	0.0508 (17)	0.0414 (15)	0.0474 (18)	−0.0085 (13)	−0.0081 (14)	−0.0230 (14)
N3	0.0512 (17)	0.0437 (15)	0.0497 (18)	−0.0093 (13)	−0.0079 (14)	−0.0254 (14)
N4	0.0419 (15)	0.0362 (13)	0.0395 (16)	−0.0159 (11)	0.0011 (12)	−0.0175 (12)
N5	0.068 (2)	0.0518 (17)	0.0522 (19)	−0.0211 (16)	−0.0136 (16)	−0.0239 (15)
N6	0.0486 (17)	0.0421 (15)	0.0463 (17)	−0.0113 (13)	−0.0098 (13)	−0.0206 (13)
N7	0.0465 (16)	0.0396 (14)	0.0433 (17)	−0.0097 (12)	−0.0082 (13)	−0.0187 (13)
N8	0.0385 (15)	0.0399 (14)	0.0409 (16)	−0.0130 (12)	−0.0039 (12)	−0.0123 (13)
C1	0.069 (2)	0.0352 (17)	0.053 (2)	−0.0100 (16)	−0.0040 (19)	−0.0222 (16)
C2	0.073 (3)	0.0422 (18)	0.050 (2)	−0.0224 (18)	0.0007 (19)	−0.0245 (17)
C3	0.066 (2)	0.0471 (19)	0.042 (2)	−0.0246 (17)	−0.0011 (17)	−0.0200 (16)
C4	0.0485 (19)	0.0393 (17)	0.043 (2)	−0.0182 (15)	0.0001 (15)	−0.0173 (15)
C5	0.0420 (17)	0.0374 (16)	0.0400 (18)	−0.0180 (14)	0.0033 (14)	−0.0172 (14)
C6	0.0364 (17)	0.0354 (15)	0.0395 (18)	−0.0133 (13)	0.0035 (14)	−0.0166 (14)
C7	0.0414 (18)	0.0364 (16)	0.0402 (19)	−0.0139 (14)	−0.0006 (14)	−0.0158 (15)
C8	0.0402 (17)	0.0365 (16)	0.0361 (18)	−0.0168 (13)	0.0036 (14)	−0.0163 (14)
C9	0.0372 (16)	0.0352 (15)	0.0373 (18)	−0.0148 (13)	0.0012 (13)	−0.0144 (14)
C10	0.0437 (18)	0.0396 (17)	0.049 (2)	−0.0141 (14)	0.0064 (15)	−0.0241 (16)
C11	0.0425 (19)	0.0377 (17)	0.062 (2)	−0.0125 (15)	0.0068 (17)	−0.0205 (17)
C12	0.0417 (19)	0.0397 (18)	0.059 (2)	−0.0073 (15)	−0.0098 (17)	−0.0120 (17)
C13	0.0453 (19)	0.0367 (16)	0.0425 (19)	−0.0121 (14)	−0.0060 (15)	−0.0163 (15)
C14	0.073 (3)	0.050 (2)	0.039 (2)	−0.0245 (19)	−0.0014 (18)	−0.0190 (17)
C15	0.086 (3)	0.054 (2)	0.050 (2)	−0.020 (2)	−0.009 (2)	−0.029 (2)
C16	0.083 (3)	0.047 (2)	0.055 (2)	−0.026 (2)	−0.010 (2)	−0.0255 (19)
C17	0.084 (3)	0.060 (2)	0.064 (3)	−0.022 (2)	−0.017 (2)	−0.032 (2)
C18	0.072 (3)	0.075 (3)	0.051 (2)	−0.036 (2)	−0.008 (2)	−0.027 (2)
C19	0.053 (2)	0.081 (3)	0.041 (2)	−0.026 (2)	−0.0067 (17)	−0.020 (2)
C20	0.046 (2)	0.060 (2)	0.044 (2)	−0.0165 (17)	−0.0029 (16)	−0.0196 (18)
C21	0.0433 (19)	0.0502 (19)	0.0412 (19)	−0.0216 (16)	0.0009 (15)	−0.0196 (16)
C22	0.0387 (17)	0.0394 (16)	0.0396 (18)	−0.0141 (14)	−0.0030 (14)	−0.0149 (14)
C23	0.0390 (17)	0.0339 (15)	0.0400 (18)	−0.0120 (13)	0.0007 (14)	−0.0155 (14)
C24	0.0393 (17)	0.0344 (15)	0.0398 (18)	−0.0145 (13)	0.0003 (14)	−0.0129 (14)
C25	0.0382 (18)	0.0347 (16)	0.051 (2)	−0.0099 (14)	−0.0025 (15)	−0.0115 (15)
C26	0.0381 (18)	0.063 (2)	0.062 (2)	−0.0157 (16)	0.0042 (16)	−0.041 (2)
C27	0.074 (3)	0.080 (3)	0.151 (6)	−0.043 (3)	0.046 (4)	−0.083 (4)
C28	0.059 (3)	0.032 (2)	0.138 (6)	−0.0038 (19)	0.006 (3)	−0.010 (3)
C29	0.0415 (18)	0.0364 (16)	0.0411 (19)	−0.0125 (14)	−0.0021 (14)	−0.0167 (15)
C30	0.046 (2)	0.061 (2)	0.050 (2)	−0.0117 (18)	0.0008 (18)	−0.002 (2)
C31	0.050 (2)	0.079 (3)	0.051 (2)	−0.018 (2)	−0.0038 (18)	−0.037 (2)
C32	0.062 (3)	0.079 (3)	0.070 (3)	−0.029 (2)	0.003 (2)	−0.050 (3)
N9	0.071 (2)	0.067 (2)	0.057 (2)	−0.0308 (19)	0.0068 (18)	−0.0312 (19)
N10	0.104 (3)	0.066 (2)	0.055 (2)	−0.015 (2)	0.005 (2)	−0.026 (2)
N11	0.103 (3)	0.0487 (19)	0.074 (3)	−0.029 (2)	0.019 (2)	−0.0277 (19)
N12	0.090 (3)	0.091 (3)	0.098 (3)	−0.049 (3)	0.030 (3)	−0.057 (3)
C33	0.088 (3)	0.047 (2)	0.047 (2)	−0.023 (2)	−0.002 (2)	−0.0198 (19)
C34	0.072 (3)	0.055 (2)	0.070 (3)	−0.026 (2)	0.006 (2)	−0.039 (2)

Geometric parameters (Å, º)

Pb1—N12^i	2.612 (4)	C7—C13	1.473 (4)
Pb1—N10	2.631 (4)	C8—C9	1.453 (4)
Pb1—O6	2.668 (4)	C9—C10	1.360 (4)
Pb1—O5	2.682 (4)	C10—C11	1.423 (5)
Pb1—N5	2.727 (3)	C10—H10	0.9500
Pb1—N1	2.729 (3)	C11—C12	1.329 (5)
Pb1—N6	2.732 (3)	C11—H11	0.9500
Pb1—N2	2.768 (3)	C12—H12	0.9500
O1—C12	1.363 (4)	C13—C14	1.337 (5)
O1—C9	1.368 (4)	C14—C15	1.428 (5)
O2—C16	1.367 (4)	C14—H14	0.9500
O2—C13	1.374 (4)	C15—C16	1.338 (6)
O3—C25	1.368 (5)	C15—H15	0.9500
O3—C28	1.403 (6)	C16—H16	0.9500
O4—C32	1.356 (5)	C17—C18	1.375 (6)
O4—C29	1.375 (4)	C17—H17	0.9500
O5—N9	1.228 (5)	C18—C19	1.376 (6)
O6—N9	1.211 (5)	C18—H18	0.9500
O7—N9	1.230 (5)	C19—C20	1.388 (5)
N1—C1	1.334 (4)	C19—H19	0.9500
N1—C5	1.344 (4)	C20—C21	1.380 (5)
N2—C6	1.330 (4)	C20—H20	0.9500
N2—N3	1.345 (4)	C21—C22	1.490 (5)
N3—C7	1.324 (4)	C23—C24	1.431 (5)
N4—C8	1.343 (4)	C23—C29	1.465 (5)
N4—C6	1.350 (4)	C24—C25	1.442 (5)
N5—C17	1.346 (5)	C25—C26	1.338 (5)
N5—C21	1.351 (5)	C26—C27	1.426 (7)
N6—C22	1.337 (4)	C26—H26	0.9500
N6—N7	1.340 (4)	C27—C28	1.290 (9)
N7—C23	1.328 (4)	C27—H27	0.9500
N8—C22	1.331 (4)	C28—H28	0.9500
N8—C24	1.340 (4)	C29—C30	1.350 (5)
C1—C2	1.379 (6)	C30—C31	1.484 (6)
C1—H1	0.9500	C30—H30	0.9500
C2—C3	1.380 (6)	C31—C32	1.283 (6)
C2—H2	0.9500	C31—H31	0.9500
C3—C4	1.383 (5)	C32—H32	0.9500
C3—H3	0.9500	N10—C33	1.149 (6)
C4—C5	1.389 (5)	N11—C34	1.285 (6)
C4—H4	0.9500	N11—C33	1.308 (6)
C5—C6	1.481 (4)	N12—C34	1.153 (6)
C7—C8	1.420 (5)	N12—Pb1^i	2.612 (4)
N12^i—Pb1—N10	82.91 (14)	C9—C10—C11	106.3 (3)
N12^i—Pb1—O6	142.91 (12)	C9—C10—H10	126.8
N10—Pb1—O6	134.11 (14)	C11—C10—H10	126.8
N12^i—Pb1—O5	166.63 (14)	C12—C11—C10	106.3 (3)
N10—Pb1—O5	90.29 (13)	C12—C11—H11	126.8
O6—Pb1—O5	45.60 (11)	C10—C11—H11	126.8
N12^i—Pb1—N5	99.36 (14)	C11—C12—O1	111.6 (3)
N10—Pb1—N5	76.57 (12)	C11—C12—H12	124.2
O6—Pb1—N5	89.53 (16)	O1—C12—H12	124.2
O5—Pb1—N5	90.17 (14)	C14—C13—O2	110.7 (3)
N12^i—Pb1—N1	77.78 (13)	C14—C13—C7	132.9 (3)
N10—Pb1—N1	128.61 (12)	O2—C13—C7	116.3 (3)
O6—Pb1—N1	78.36 (15)	C13—C14—C15	106.4 (4)
O5—Pb1—N1	97.86 (14)	C13—C14—H14	126.8
N5—Pb1—N1	153.18 (9)	C15—C14—H14	126.8
N12^i—Pb1—N6	76.89 (12)	C16—C15—C14	106.3 (3)
N10—Pb1—N6	127.02 (11)	C16—C15—H15	126.8
O6—Pb1—N6	76.95 (12)	C14—C15—H15	126.8
O5—Pb1—N6	116.24 (11)	C15—C16—O2	110.9 (3)
N5—Pb1—N6	59.63 (9)	C15—C16—H16	124.5
N1—Pb1—N6	94.10 (8)	O2—C16—H16	124.5
N12^i—Pb1—N2	92.11 (13)	N5—C17—C18	123.3 (4)
N10—Pb1—N2	75.13 (11)	N5—C17—H17	118.3
O6—Pb1—N2	99.26 (15)	C18—C17—H17	118.3
O5—Pb1—N2	74.98 (13)	C17—C18—C19	118.8 (4)
N5—Pb1—N2	147.80 (9)	C17—C18—H18	120.6
N1—Pb1—N2	58.74 (8)	C19—C18—H18	120.6
N6—Pb1—N2	152.54 (9)	C18—C19—C20	119.2 (4)
C12—O1—C9	105.9 (3)	C18—C19—H19	120.4
C16—O2—C13	105.6 (3)	C20—C19—H19	120.4
C25—O3—C28	104.2 (4)	C21—C20—C19	118.7 (4)
C32—O4—C29	107.5 (3)	C21—C20—H20	120.6
N9—O5—Pb1	98.1 (3)	C19—C20—H20	120.6
N9—O6—Pb1	99.2 (3)	N5—C21—C20	122.8 (3)
C1—N1—C5	117.9 (3)	N5—C21—C22	116.5 (3)
C1—N1—Pb1	118.2 (2)	C20—C21—C22	120.8 (3)
C5—N1—Pb1	123.8 (2)	N8—C22—N6	125.1 (3)
C6—N2—N3	118.7 (3)	N8—C22—C21	117.2 (3)
C6—N2—Pb1	122.7 (2)	N6—C22—C21	117.7 (3)
N3—N2—Pb1	118.6 (2)	N7—C23—C24	120.2 (3)
C7—N3—N2	119.0 (3)	N7—C23—C29	114.3 (3)
C8—N4—C6	116.2 (3)	C24—C23—C29	125.4 (3)
C17—N5—C21	117.3 (3)	N8—C24—C23	118.5 (3)
C17—N5—Pb1	119.4 (3)	N8—C24—C25	115.5 (3)
C21—N5—Pb1	123.0 (2)	C23—C24—C25	125.9 (3)
C22—N6—N7	118.3 (3)	C26—C25—O3	111.8 (3)
C22—N6—Pb1	122.8 (2)	C26—C25—C24	127.6 (3)
N7—N6—Pb1	118.8 (2)	O3—C25—C24	120.5 (3)
C23—N7—N6	119.9 (3)	C25—C26—C27	104.6 (4)
C22—N8—C24	117.3 (3)	C25—C26—H26	127.7
N1—C1—C2	123.4 (3)	C27—C26—H26	127.7
N1—C1—H1	118.3	C28—C27—C26	109.1 (4)
C2—C1—H1	118.3	C28—C27—H27	125.5
C1—C2—C3	118.5 (3)	C26—C27—H27	125.5
C1—C2—H2	120.8	C27—C28—O3	110.2 (4)
C3—C2—H2	120.8	C27—C28—H28	124.9
C2—C3—C4	119.2 (4)	O3—C28—H28	124.9
C2—C3—H3	120.4	C30—C29—O4	110.3 (3)
C4—C3—H3	120.4	C30—C29—C23	131.4 (3)
C3—C4—C5	118.5 (3)	O4—C29—C23	118.2 (3)
C3—C4—H4	120.7	C29—C30—C31	102.9 (4)
C5—C4—H4	120.7	C29—C30—H30	128.5
N1—C5—C4	122.5 (3)	C31—C30—H30	128.5
N1—C5—C6	116.8 (3)	C32—C31—C30	108.8 (4)
C4—C5—C6	120.7 (3)	C32—C31—H31	125.6
N2—C6—N4	125.4 (3)	C30—C31—H31	125.6
N2—C6—C5	117.3 (3)	C31—C32—O4	110.3 (4)
N4—C6—C5	117.3 (3)	C31—C32—H32	124.9
N3—C7—C8	121.4 (3)	O4—C32—H32	124.9
N3—C7—C13	115.2 (3)	O6—N9—O5	116.4 (4)
C8—C7—C13	123.4 (3)	O6—N9—O7	122.2 (4)
N4—C8—C7	118.9 (3)	O5—N9—O7	121.2 (4)
N4—C8—C9	117.7 (3)	C33—N10—Pb1	153.9 (4)
C7—C8—C9	123.4 (3)	C34—N11—C33	120.7 (4)
C10—C9—O1	109.9 (3)	C34—N12—Pb1^i	133.8 (4)
C10—C9—C8	133.7 (3)	N10—C33—N11	175.2 (5)
O1—C9—C8	116.4 (3)	N12—C34—N11	174.2 (4)

Symmetry code: (i) −x+1, −y+1, −z+1.