Dichlorido{μ-6,6′-dimeth­oxy-2,2′-[o-phenyl­enebis(nitrilo­methyl­idyne)]diphenolato}(dimethyl sulfoxide)lead(II)zinc(II) N,N-dimethyl­formamide solvate

In the heterodinuclear complex of the title compound, [PbZn(C₂₂H₁₈N₂O₄)Cl₂(C₂H₆OS)]·C₃H₇NO, the Zn^II atom is coordinated in a distorted square-pyramidal geometry by two N atoms and two O atoms from the diphenolate ligand, and one Cl atom which occupies the apical position. The Pb^II atom is coordinated in a distorted octa­hedral geometry by the four O atoms of the diphenolate ligand, one O atom from the dimethyl sulfoxide mol­ecule and one Cl atom. The dimethyl sulfoxide mol­ecule is disordered over two positions, with site occupancies of 0.576 (2) and 0.424 (2).

Key indicators

• Single-crystal X-ray study
• T = 295 K
• Mean [sigma](C-C) = 0.007 Å
• Disorder in main residue
• R factor = 0.036
• wR factor = 0.073
• Data-to-parameter ratio = 18.1

checkCIF/PLATON results

No syntax errors found



Alert level C
            Value of measurement temperature given =   295.000
            Value of melting point given =     0.000
PLAT220_ALERT_2_C Large Non-Solvent    C     Ueq(max)/Ueq(min) ...       2.95 Ratio
PLAT222_ALERT_3_C Large Non-Solvent    H     Ueq(max)/Ueq(min) ...       3.67 Ratio
PLAT230_ALERT_2_C Hirshfeld Test Diff for    S1     --  C27     ..       6.07 su
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for         S1
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        S1'
PLAT301_ALERT_3_C Main Residue  Disorder .........................      10.00 Perc.
PLAT234_ALERT_4_C Large Hirshfeld Difference S1     --  O5      ..       0.12  Ang.
PLAT234_ALERT_4_C Large Hirshfeld Difference S1     --  C26     ..       0.14  Ang.
PLAT234_ALERT_4_C Large Hirshfeld Difference C6     --  C7      ..       0.10  Ang.
PLAT244_ALERT_4_C Low   'Solvent' Ueq as Compared to Neighbors for         N3
PLAT380_ALERT_4_C Check Incorrectly? Oriented X(sp2)-Methyl Moiety        C23
PLAT380_ALERT_4_C Check Incorrectly? Oriented X(sp2)-Methyl Moiety        C24

Alert level G
PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints .......         28

   0 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
  12 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
   4 ALERT type 2 Indicator that the structure model may be wrong or deficient
   3 ALERT type 3 Indicator that the structure quality may be low
   6 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check

---

S1. Comment

Heterometallic dinuclear complexes have been intensively studied owing to their unique physical and chemical properties (Ward, 2007; Ni et al., 2005). In addition, these compounds exist at the active sites of many metalloenzymes and play important roles in biological systems (Karlin, 1993). Whereas, it is necessary to further widen the system of application of heterometallic compounds. Herein, a novel heterometallic binuclear Zn^IIPb^II compound has been obtained by step-by-step method and its structure is depicted.

As shown in Fig. 1, the title compound is a binuclear neutral complex with a slightly distorted planar configuration. Each Zn^II atom is coordinated in a square-pyramidal geometry with the basal square formed by two N atoms and two O atoms from the L ligand, and with the apical position occupied by terminal Cl atom. The coordination environment of each Pb^II atom is in a distorted octahedral geometry composed of four O atoms from the ligand, one Cl atom and one O atom of the DMSO molecule. The Zn^II atom and the Pb^II atom are connected via two bridging O atoms of the ligand. The bond lengths of Zn—O, Zn—N and Zn—Cl are normal (Korupoju et al., 2000).

Related literature

For general background, see: Karlin (1993); Ni et al. (2005); Ward (2007). For a related structure, see: Korupoju et al. (2000). For related literature on the preparative method, see: Lo et al. (2004); Sui et al. (2007).

S2. Experimental

The H₂L ligand and the complex ZnL were synthesized according to the previous literatures (Lo et al., 2004; Sui et al., 2007). The title compound was obtained by allowing the mixture of ZnL (0.088 g, 0.2 mmol) and PbCl₂.2H₂O (0.063 g, 0.2 mmol) being refluxed in a DMF and DMSO (1:1) solution, cooled down to room temperature, then filtered. Yellow single crystals suitable for X-ray diffraction were obtained via slow evaporation of the filtrate at room temperature.

S3. Refinement

All H atoms bound to C were refined using a riding model, with distance C—H = 0.93 Å and U_iso(H) = 1.2U_eq(C) for aromatic atoms, and C—H = 0.96 Å and U_iso(H) = 1.5U_eq(C) for methyl atoms. The DMSO molecule was found to be disordered over two positions in a difference Fourier map. All the atoms were refined in two parts and the site occupancy factors were refined to 0.576 (2) (for atoms S1, O5, C26 and C27) and 0.424 (2) (for atoms S1', O5', C26' and C27'). The bonds S—O and S—C were restrained to 1.45 (1) and 1.82 (1) Å, respectively. The displacement parameters of each pair of disorder atoms were set to equal by the EADP instruction. The bond lengths C26—S1, C26'—S1', C27—S1 and C27'—C1' were restrained to be nearly equal by the SADI command with deviation 0.01 Å. The distances of S1—O5 and Zn1—O5 were also restrained nearly equal to that of S1'—O5' and Zn1—O5', respectively. The displacement parameter restraints (DELU) were applied to the disorder atoms (S1, C27, S1' and C27'). Additionally, atoms C27 and C27' were restrained to be approximately isotropic by the ISOR instruction.

Computing details

Data collection: SMART (Bruker, 2001); cell refinement: SAINT (Bruker, 2001); data reduction: SAINT (Bruker, 2001); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: SHELXTL (Sheldrick, 2008); software used to prepare material for publication: SHELXTL (Sheldrick, 2008).

Figures

Fig. 1. A view of (I) with the unique atom-labelling scheme. Displacement ellipsoids are drawn at the 30% probability level, all hydrogen atoms are omitted for clarity. Only one conpoment of the disordered DMSO molecule is shown.

Dichlorido-1κCl,2κCl-{µ-6,6'-dimethoxy-2,2'-[o- phenylenebis(nitrilomethylidyne)]diphenolato- 1κ⁴O¹,N,N',O^1':2κ⁴O,O',O'',O''}(dimethyl sulfoxide-2κO)lead(II)zinc(II) N,N-dimethylformamide solvate

Crystal data

[PbZn(C22H18N2O4)Cl2(C2H6OS)]·C3H7NO	F(000) = 1696
Mr = 869.07	Dx = 1.874 Mg m^−3
Monoclinic, P21/c	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -P2ybc	Cell parameters from 5739 reflections
a = 15.2850 (7) Å	θ = 1.7–27.5°
b = 18.8433 (8) Å	µ = 6.52 mm^−1
c = 10.7343 (5) Å	T = 295 K
β = 94.771 (1)°	Block, yellow
V = 3081.0 (2) Å^3	0.2 × 0.15 × 0.1 mm
Z = 4

Data collection

Bruker APEX CCD area-detector diffractometer	6997 independent reflections
Radiation source: fine-focus sealed tube	4923 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.039
ω scans	θmax = 27.5°, θmin = 1.7°
Absorption correction: multi-scan (SADABS; Sheldrick, 2003)	h = −19→15
Tmin = 0.343, Tmax = 0.518	k = −23→24
18055 measured reflections	l = −13→12

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)] = 0.036	Hydrogen site location: inferred from neighbouring sites
wR(F^2) = 0.073	H-atom parameters constrained
S = 0.99	w = 1/[σ^2(Fo^2) + (0.0296P)^2] where P = (Fo^2 + 2Fc^2)/3
6997 reflections	(Δ/σ)max = 0.001
387 parameters	Δρmax = 0.75 e Å^−3
28 restraints	Δρmin = −0.61 e Å^−3

Special details

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 (Ų)

	x	y	z	Uiso*/Ueq	Occ. (<1)
C1	0.9922 (4)	0.5643 (3)	−0.2068 (8)	0.092 (2)
H1A	1.0047	0.6013	−0.1464	0.138*
H1B	0.9834	0.5848	−0.2888	0.138*
H1C	1.0406	0.5318	−0.2041	0.138*
C2	0.8849 (3)	0.4724 (3)	−0.2534 (5)	0.0464 (12)
C3	0.9128 (4)	0.4565 (3)	−0.3684 (5)	0.0594 (15)
H3	0.9561	0.4841	−0.4004	0.071*
C4	0.8775 (4)	0.4007 (3)	−0.4364 (5)	0.0615 (16)
H4	0.8966	0.3910	−0.5147	0.074*
C5	0.8147 (3)	0.3591 (3)	−0.3907 (5)	0.0535 (14)
H5	0.7913	0.3212	−0.4380	0.064*
C6	0.7850 (3)	0.3730 (2)	−0.2721 (4)	0.0384 (11)
C7	0.8183 (3)	0.4316 (2)	−0.2022 (4)	0.0396 (11)
C8	0.7195 (3)	0.3250 (2)	−0.2308 (4)	0.0387 (11)
H8	0.6966	0.2912	−0.2876	0.046*
C9	0.6238 (3)	0.2772 (2)	−0.0917 (4)	0.0340 (10)
C10	0.6124 (3)	0.2101 (2)	−0.1400 (4)	0.0458 (12)
H10	0.6504	0.1929	−0.1964	0.055*
C11	0.5449 (3)	0.1680 (3)	−0.1049 (5)	0.0503 (13)
H11	0.5370	0.1227	−0.1386	0.060*
C12	0.4890 (3)	0.1927 (3)	−0.0202 (5)	0.0497 (13)
H12	0.4429	0.1643	0.0018	0.060*
C13	0.5009 (3)	0.2587 (2)	0.0317 (4)	0.0440 (12)
H13	0.4636	0.2747	0.0898	0.053*
C14	0.5687 (3)	0.3017 (2)	−0.0023 (4)	0.0338 (10)
C15	0.5294 (3)	0.4084 (2)	0.0968 (4)	0.0329 (10)
H15	0.4743	0.3883	0.1023	0.040*
C16	0.5433 (3)	0.4791 (2)	0.1456 (4)	0.0333 (10)
C17	0.4754 (3)	0.5081 (3)	0.2123 (4)	0.0414 (12)
H17	0.4262	0.4807	0.2241	0.050*
C18	0.4806 (3)	0.5746 (3)	0.2589 (5)	0.0493 (13)
H18	0.4371	0.5916	0.3067	0.059*
C19	0.5518 (3)	0.6180 (2)	0.2349 (4)	0.0429 (12)
H19	0.5542	0.6645	0.2638	0.051*
C20	0.6174 (3)	0.5923 (2)	0.1696 (4)	0.0377 (11)
C25	0.7952 (4)	0.5309 (4)	0.3414 (6)	0.0688 (17)
H25	0.7753	0.4877	0.3083	0.083*
C23	0.7891 (5)	0.6193 (4)	0.4986 (6)	0.105 (3)
H23A	0.7556	0.6292	0.5683	0.158*
H23B	0.7822	0.6575	0.4395	0.158*
H23C	0.8500	0.6145	0.5274	0.158*
C24	0.6895 (4)	0.5155 (4)	0.4933 (6)	0.092 (2)
H24A	0.6710	0.5410	0.5639	0.138*
H24B	0.7109	0.4696	0.5197	0.138*
H24C	0.6406	0.5101	0.4318	0.138*
C21	0.6168 (3)	0.5213 (2)	0.1249 (4)	0.0343 (10)
C22	0.6974 (4)	0.7029 (3)	0.1830 (6)	0.0630 (16)
H22A	0.7504	0.7230	0.1565	0.095*
H22C	0.6992	0.7041	0.2726	0.095*
H22B	0.6479	0.7298	0.1483	0.095*
N1	0.6903 (2)	0.32535 (18)	−0.1215 (3)	0.0351 (9)
N2	0.5875 (2)	0.37078 (18)	0.0461 (3)	0.0337 (8)
N3	0.7585 (3)	0.5545 (3)	0.4398 (5)	0.0637 (13)
O3	0.6844 (2)	0.49968 (15)	0.0660 (3)	0.0412 (8)
O2	0.7936 (2)	0.45072 (16)	−0.0930 (3)	0.0452 (8)
O1	0.9148 (2)	0.52743 (19)	−0.1786 (4)	0.0606 (10)
O6	0.8536 (3)	0.5608 (3)	0.2891 (5)	0.0903 (15)
O4	0.6892 (2)	0.63108 (17)	0.1411 (3)	0.0521 (9)
Zn1	0.71596 (3)	0.39911 (3)	0.01970 (5)	0.03524 (13)
Pb1	0.805850 (13)	0.569995 (10)	0.003745 (18)	0.04440 (7)
Cl1	0.70822 (10)	0.63063 (8)	−0.17678 (14)	0.0672 (4)
Cl2	0.80237 (8)	0.34936 (7)	0.17826 (12)	0.0528 (3)
C27	0.9574 (13)	0.7236 (9)	0.2609 (7)	0.098 (3)	0.576 (2)
H27A	0.9198	0.7548	0.3027	0.147*	0.576 (2)
H27B	1.0163	0.7271	0.2992	0.147*	0.576 (2)
H27C	0.9371	0.6756	0.2672	0.147*	0.576 (2)
C26	1.0639 (6)	0.7110 (7)	0.087 (2)	0.074 (3)	0.576 (2)
H26A	1.0806	0.7151	0.0031	0.111*	0.576 (2)
H26B	1.0632	0.6618	0.1104	0.111*	0.576 (2)
H26C	1.1055	0.7360	0.1429	0.111*	0.576 (2)
S1	0.95576 (17)	0.74864 (13)	0.0961 (2)	0.0599 (5)	0.576 (2)
O5	0.8885 (11)	0.6987 (5)	0.0345 (17)	0.073 (5)	0.576 (2)
C27'	0.9400 (18)	0.7406 (10)	0.2440 (14)	0.098 (3)	0.424 (2)
H27D	0.9102	0.7137	0.3036	0.147*	0.424 (2)
H27E	0.8995	0.7731	0.2012	0.147*	0.424 (2)
H27F	0.9874	0.7667	0.2867	0.147*	0.424 (2)
C26'	1.0592 (10)	0.7461 (8)	0.080 (3)	0.074 (3)	0.424 (2)
H26D	1.0844	0.7296	0.0062	0.111*	0.424 (2)
H26E	1.1050	0.7539	0.1452	0.111*	0.424 (2)
H26F	1.0282	0.7897	0.0618	0.111*	0.424 (2)
S1'	0.9837 (2)	0.68004 (18)	0.1302 (3)	0.0599 (5)	0.424 (2)
O5'	0.9125 (17)	0.6873 (8)	0.027 (2)	0.073 (5)	0.424 (2)

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
C1	0.073 (5)	0.080 (5)	0.129 (7)	−0.032 (4)	0.042 (4)	−0.012 (4)
C2	0.045 (3)	0.039 (3)	0.057 (3)	0.002 (2)	0.016 (3)	0.007 (3)
C3	0.063 (4)	0.057 (3)	0.064 (4)	0.002 (3)	0.036 (3)	0.008 (3)
C4	0.078 (4)	0.063 (4)	0.049 (3)	−0.003 (3)	0.037 (3)	−0.001 (3)
C5	0.061 (4)	0.057 (3)	0.044 (3)	0.004 (3)	0.019 (3)	−0.004 (3)
C6	0.045 (3)	0.036 (3)	0.035 (3)	0.005 (2)	0.008 (2)	0.002 (2)
C7	0.040 (3)	0.041 (3)	0.039 (3)	0.010 (2)	0.010 (2)	0.007 (2)
C8	0.042 (3)	0.035 (3)	0.039 (3)	0.006 (2)	0.004 (2)	−0.003 (2)
C9	0.040 (3)	0.029 (2)	0.033 (3)	−0.005 (2)	0.002 (2)	−0.0033 (19)
C10	0.065 (3)	0.035 (3)	0.039 (3)	−0.004 (2)	0.010 (2)	−0.005 (2)
C11	0.077 (4)	0.029 (3)	0.045 (3)	−0.011 (3)	0.004 (3)	−0.008 (2)
C12	0.057 (3)	0.047 (3)	0.046 (3)	−0.019 (3)	0.008 (3)	−0.004 (2)
C13	0.052 (3)	0.041 (3)	0.040 (3)	−0.009 (2)	0.010 (2)	0.001 (2)
C14	0.038 (3)	0.033 (2)	0.031 (2)	−0.006 (2)	0.004 (2)	0.0015 (19)
C15	0.033 (3)	0.035 (2)	0.031 (2)	−0.0024 (19)	0.0039 (19)	0.0039 (19)
C16	0.040 (3)	0.030 (2)	0.030 (2)	0.005 (2)	0.003 (2)	−0.0005 (19)
C17	0.043 (3)	0.045 (3)	0.036 (3)	0.007 (2)	0.004 (2)	0.001 (2)
C18	0.049 (3)	0.050 (3)	0.048 (3)	0.015 (3)	0.004 (2)	−0.010 (3)
C19	0.057 (3)	0.033 (3)	0.038 (3)	0.011 (2)	0.001 (2)	−0.004 (2)
C20	0.048 (3)	0.030 (2)	0.034 (3)	0.001 (2)	−0.001 (2)	0.000 (2)
C25	0.079 (5)	0.074 (4)	0.052 (4)	0.005 (4)	−0.002 (3)	−0.002 (3)
C23	0.150 (7)	0.088 (6)	0.076 (5)	−0.002 (5)	0.007 (5)	−0.013 (4)
C24	0.075 (5)	0.100 (6)	0.103 (6)	0.013 (4)	0.018 (4)	0.044 (5)
C21	0.045 (3)	0.032 (3)	0.026 (2)	0.004 (2)	0.004 (2)	0.0034 (19)
C22	0.073 (4)	0.033 (3)	0.083 (4)	−0.004 (3)	0.004 (3)	−0.012 (3)
N1	0.039 (2)	0.031 (2)	0.036 (2)	0.0011 (17)	0.0061 (17)	−0.0043 (17)
N2	0.042 (2)	0.029 (2)	0.031 (2)	−0.0039 (17)	0.0049 (17)	−0.0003 (16)
N3	0.074 (3)	0.067 (3)	0.050 (3)	0.005 (3)	0.003 (3)	0.007 (3)
O3	0.045 (2)	0.0313 (17)	0.049 (2)	−0.0054 (14)	0.0186 (15)	−0.0070 (15)
O2	0.057 (2)	0.0389 (19)	0.043 (2)	−0.0104 (15)	0.0244 (16)	−0.0070 (15)
O1	0.052 (2)	0.056 (2)	0.077 (3)	−0.0158 (19)	0.0308 (19)	−0.002 (2)
O6	0.084 (3)	0.107 (4)	0.084 (3)	0.009 (3)	0.027 (3)	0.005 (3)
O4	0.066 (2)	0.0349 (19)	0.057 (2)	−0.0089 (17)	0.0159 (18)	−0.0100 (17)
Zn1	0.0403 (3)	0.0300 (3)	0.0366 (3)	−0.0041 (2)	0.0101 (2)	−0.0017 (2)
Pb1	0.04989 (13)	0.04072 (11)	0.04396 (12)	−0.01222 (9)	0.01203 (8)	−0.00356 (9)
Cl1	0.0783 (10)	0.0622 (9)	0.0613 (9)	−0.0068 (8)	0.0069 (7)	0.0132 (7)
Cl2	0.0503 (8)	0.0548 (8)	0.0523 (8)	−0.0035 (6)	−0.0015 (6)	0.0091 (6)
C27	0.103 (4)	0.106 (4)	0.083 (4)	−0.004 (3)	0.006 (3)	−0.001 (3)
C26	0.058 (5)	0.074 (11)	0.085 (6)	0.017 (7)	−0.017 (4)	0.003 (11)
S1	0.0670 (14)	0.0486 (11)	0.0625 (13)	−0.0105 (10)	−0.0049 (10)	0.0059 (10)
O5	0.057 (10)	0.099 (5)	0.063 (3)	−0.039 (6)	0.007 (6)	−0.021 (4)
C27'	0.103 (4)	0.106 (4)	0.083 (4)	−0.004 (3)	0.006 (3)	−0.001 (3)
C26'	0.058 (5)	0.074 (11)	0.085 (6)	0.017 (7)	−0.017 (4)	0.003 (11)
S1'	0.0670 (14)	0.0486 (11)	0.0625 (13)	−0.0105 (10)	−0.0049 (10)	0.0059 (10)
O5'	0.057 (10)	0.099 (5)	0.063 (3)	−0.039 (6)	0.007 (6)	−0.021 (4)

Geometric parameters (Å, º)

C1—O1	1.427 (6)	C25—H25	0.9300
C1—H1A	0.9600	C23—N3	1.436 (8)
C1—H1B	0.9600	C23—H23A	0.9600
C1—H1C	0.9600	C23—H23B	0.9600
C2—O1	1.367 (6)	C23—H23C	0.9600
C2—C3	1.372 (7)	C24—N3	1.443 (7)
C2—C7	1.422 (6)	C24—H24A	0.9600
C3—C4	1.365 (8)	C24—H24B	0.9600
C3—H3	0.9300	C24—H24C	0.9600
C4—C5	1.362 (7)	C21—O3	1.319 (5)
C4—H4	0.9300	C22—O4	1.428 (5)
C5—C6	1.412 (6)	C22—H22A	0.9600
C5—H5	0.9300	C22—H22C	0.9600
C6—C7	1.406 (6)	C22—H22B	0.9600
C6—C8	1.446 (6)	Zn1—N1	2.070 (4)
C7—O2	1.312 (5)	Zn1—N2	2.077 (3)
C8—N1	1.290 (5)	Zn1—O3	2.028 (3)
C8—H8	0.9300	Zn1—O2	2.014 (3)
C9—C10	1.372 (6)	Zn1—Cl2	2.2686 (14)
C9—C14	1.406 (6)	Pb1—O1	2.791 (4)
C9—N1	1.419 (5)	Pb1—O2	2.476 (3)
C10—C11	1.379 (6)	Pb1—O3	2.420 (3)
C10—H10	0.9300	Pb1—O4	2.667 (3)
C11—C12	1.379 (7)	Pb1—O5	2.741 (5)
C11—H11	0.9300	Pb1—O5'	2.746 (7)
C12—C13	1.369 (6)	Pb1—Cl1	2.6088 (15)
C12—H12	0.9300	C27—S1	1.829 (6)
C13—C14	1.388 (6)	C27—H27A	0.9600
C13—H13	0.9300	C27—H27B	0.9600
C14—N2	1.422 (5)	C27—H27C	0.9600
C15—N2	1.292 (5)	C26—S1	1.809 (6)
C15—C16	1.441 (6)	C26—H26A	0.9600
C15—H15	0.9300	C26—H26B	0.9600
C16—C21	1.409 (6)	C26—H26C	0.9600
C16—C17	1.418 (6)	S1—O5	1.506 (5)
C17—C18	1.349 (6)	C27'—S1'	1.838 (7)
C17—H17	0.9300	C27'—H27D	0.9600
C18—C19	1.402 (7)	C27'—H27E	0.9600
C18—H18	0.9300	C27'—H27F	0.9600
C19—C20	1.359 (6)	C26'—S1'	1.809 (6)
C19—H19	0.9300	C26'—H26D	0.9600
C20—O4	1.375 (5)	C26'—H26E	0.9600
C20—C21	1.421 (6)	C26'—H26F	0.9600
C25—O6	1.230 (7)	S1'—O5'	1.492 (7)
C25—N3	1.314 (7)
O1—C1—H1A	109.5	H24A—C24—H24C	109.5
O1—C1—H1B	109.5	H24B—C24—H24C	109.5
H1A—C1—H1B	109.5	O3—C21—C16	124.6 (4)
O1—C1—H1C	109.5	O3—C21—C20	118.0 (4)
H1A—C1—H1C	109.5	C16—C21—C20	117.4 (4)
H1B—C1—H1C	109.5	O4—C22—H22A	109.5
O1—C2—C3	125.5 (5)	O4—C22—H22C	109.5
O1—C2—C7	113.5 (4)	H22A—C22—H22C	109.5
C3—C2—C7	121.0 (5)	O4—C22—H22B	109.5
C4—C3—C2	120.7 (5)	H22A—C22—H22B	109.5
C4—C3—H3	119.6	H22C—C22—H22B	109.5
C2—C3—H3	119.6	C8—N1—C9	120.7 (4)
C5—C4—C3	120.6 (5)	C8—N1—Zn1	127.6 (3)
C5—C4—H4	119.7	C9—N1—Zn1	111.1 (3)
C3—C4—H4	119.7	C15—N2—C14	122.1 (4)
C4—C5—C6	120.5 (5)	C15—N2—Zn1	127.4 (3)
C4—C5—H5	119.8	C14—N2—Zn1	110.5 (3)
C6—C5—H5	119.8	C25—N3—C23	119.7 (6)
C7—C6—C5	119.8 (4)	C25—N3—C24	121.6 (6)
C7—C6—C8	123.9 (4)	C23—N3—C24	118.7 (6)
C5—C6—C8	116.3 (4)	C21—O3—Zn1	128.2 (3)
O2—C7—C6	125.0 (4)	C21—O3—Pb1	127.8 (3)
O2—C7—C2	117.8 (4)	Zn1—O3—Pb1	103.89 (12)
C6—C7—C2	117.2 (4)	C7—O2—Zn1	129.2 (3)
N1—C8—C6	125.2 (4)	C7—O2—Pb1	127.3 (3)
N1—C8—H8	117.4	Zn1—O2—Pb1	102.38 (12)
C6—C8—H8	117.4	C2—O1—C1	119.2 (4)
C10—C9—C14	119.8 (4)	C20—O4—C22	118.9 (4)
C10—C9—N1	125.1 (4)	C20—O4—Pb1	118.5 (3)
C14—C9—N1	115.1 (4)	C22—O4—Pb1	122.6 (3)
C9—C10—C11	120.0 (5)	O2—Zn1—O3	81.97 (12)
C9—C10—H10	120.0	O2—Zn1—N1	88.26 (13)
C11—C10—H10	120.0	O3—Zn1—N1	140.59 (14)
C10—C11—C12	120.3 (4)	O2—Zn1—N2	144.80 (14)
C10—C11—H11	119.8	O3—Zn1—N2	87.68 (13)
C12—C11—H11	119.8	N1—Zn1—N2	78.68 (14)
C13—C12—C11	120.4 (5)	O2—Zn1—Cl2	108.35 (10)
C13—C12—H12	119.8	O3—Zn1—Cl2	109.75 (10)
C11—C12—H12	119.8	N1—Zn1—Cl2	109.57 (11)
C12—C13—C14	120.1 (4)	N2—Zn1—Cl2	106.82 (10)
C12—C13—H13	120.0	O3—Pb1—O2	65.53 (10)
C14—C13—H13	120.0	O3—Pb1—Cl1	92.31 (8)
C13—C14—C9	119.3 (4)	O2—Pb1—Cl1	93.86 (9)
C13—C14—N2	124.8 (4)	O3—Pb1—O4	61.32 (10)
C9—C14—N2	115.8 (4)	O2—Pb1—O4	126.34 (10)
N2—C15—C16	125.1 (4)	Cl1—Pb1—O4	81.62 (8)
N2—C15—H15	117.5	O3—Pb1—O5	143.8 (5)
C16—C15—H15	117.5	O2—Pb1—O5	150.6 (5)
C21—C16—C17	119.3 (4)	Cl1—Pb1—O5	86.06 (18)
C21—C16—C15	124.0 (4)	O4—Pb1—O5	82.8 (5)
C17—C16—C15	116.6 (4)	O3—Pb1—O5'	151.5 (8)
C18—C17—C16	121.5 (5)	O2—Pb1—O5'	142.5 (8)
C18—C17—H17	119.3	Cl1—Pb1—O5'	90.82 (17)
C16—C17—H17	119.3	O4—Pb1—O5'	91.2 (8)
C17—C18—C19	119.7 (5)	O5—Pb1—O5'	9.1 (12)
C17—C18—H18	120.1	O5—S1—C26	109.0 (10)
C19—C18—H18	120.1	O5—S1—C27	102.6 (9)
C20—C19—C18	120.2 (4)	C26—S1—C27	90.6 (8)
C20—C19—H19	119.9	S1—O5—Pb1	153.7 (5)
C18—C19—H19	119.9	S1'—C27'—H27D	109.5
C19—C20—O4	124.2 (4)	S1'—C27'—H27E	109.5
C19—C20—C21	121.8 (4)	H27D—C27'—H27E	109.5
O4—C20—C21	114.0 (4)	S1'—C27'—H27F	109.5
O6—C25—N3	125.9 (6)	H27D—C27'—H27F	109.5
O6—C25—H25	117.0	H27E—C27'—H27F	109.5
N3—C25—H25	117.0	S1'—C26'—H26D	109.5
N3—C23—H23A	109.5	S1'—C26'—H26E	109.5
N3—C23—H23B	109.5	H26D—C26'—H26E	109.5
H23A—C23—H23B	109.5	S1'—C26'—H26F	109.5
N3—C23—H23C	109.5	H26D—C26'—H26F	109.5
H23A—C23—H23C	109.5	H26E—C26'—H26F	109.5
H23B—C23—H23C	109.5	O5'—S1'—C26'	99.2 (11)
N3—C24—H24A	109.5	O5'—S1'—C27'	98.7 (16)
N3—C24—H24B	109.5	C26'—S1'—C27'	92.7 (12)
H24A—C24—H24B	109.5	S1'—O5'—Pb1	112.7 (5)
N3—C24—H24C	109.5