Poly­[(1,10-phenanthroline-κ2N,N′)­lead(II) μ4-(4-sulfonatobenzoato-κ4O,O′:O′′,O′′′ hydrate]

Zhang, L.-P.; Zhu, L.-G.; Xiao, H.-P.

doi:10.1107/S1600536805010925

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Poly[(1,10-phenanthroline-κ²N,N′)lead(II) μ₄-(4-sulfonatobenzoato-κ⁴O,O′:O′′,O′′′ hydrate]

L.-P. Zhang, L.-G. Zhu and H.-P. Xiao

In the title polymeric compound, [Pb(C₁₂H₈N₂)(C₇H₄O₅S)]_n·nH₂O, the seven-coordinate Pb^II atom is surrounded by one 1,10-phenanthroline (phen) and four 4-sulfonatobenzoate (sb) ligands in a hemidirected coordination geometry. Both the sulfonyl and carboxy groups of the sb ligand bridge the neighboring Pb^II atoms to form a two-dimensional sheet structure.

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Supporting information

	Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536805010925/xu6002sup1.cif Contains datablocks I, global
	Structure factor file (CIF format) https://doi.org/10.1107/S1600536805010925/xu6002Isup2.hkl Contains datablock I

CCDC reference: 272134

checkCIF report

Key indicators

Single-crystal X-ray study
T = 298 K
Mean (C-C) = 0.007 Å
H-atom completeness 86%
Disorder in solvent or counterion
R factor = 0.032
wR factor = 0.071
Data-to-parameter ratio = 14.9

checkCIF/PLATON results

No syntax errors found



Alert level B
PLAT430_ALERT_2_B Short Inter D...A Contact  O3     ..  O6B     ..       2.62 Ang.

Alert level C
PLAT041_ALERT_1_C Calc. and Rep. SumFormula Strings    Differ ....          ?
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ ....          ?
PLAT068_ALERT_1_C Reported F000 Differs from Calcd (or Missing)...          ?
PLAT302_ALERT_4_C Anion/Solvent Disorder .........................      50.00 Perc.
PLAT311_ALERT_2_C Isolated Disordered Oxygen Atom (No H's ?) .....       >O6A
PLAT311_ALERT_2_C Isolated Disordered Oxygen Atom (No H's ?) .....       <O6B
PLAT430_ALERT_2_C Short Inter D...A Contact  O3     ..  O6A     ..       2.88 Ang.
PLAT432_ALERT_2_C Short Inter X...Y Contact  C13    ..  O6B     ..       2.93 Ang.

Alert level G
FORMU01_ALERT_2_G  There is a discrepancy between the atom counts in the
            _chemical_formula_sum and the formula from the _atom_site* data.
            Atom count from _chemical_formula_sum:C19 H14 N2 O6 Pb1 S1
            Atom count from the _atom_site data:  C19 H12 N2 O6 Pb1 S1
CELLZ01_ALERT_1_G Difference between formula and atom_site contents detected.
CELLZ01_ALERT_1_G WARNING: H atoms missing from atom site list. Is this intentional?
           From the CIF: _cell_formula_units_Z    8
           From the CIF: _chemical_formula_sum  C19 H14 N2 O6 Pb S
           TEST: Compare cell contents of formula and atom_site data

           atom    Z*formula  cif sites diff
           C        152.00    152.00    0.00
           H        112.00     96.00   16.00
           N         16.00     16.00    0.00
           O         48.00     48.00    0.00
           Pb         8.00      8.00    0.00
           S          8.00      8.00    0.00

   0 ALERT level A = In general: serious problem
   1 ALERT level B = Potentially serious problem
   8 ALERT level C = Check and explain
   3 ALERT level G = General alerts; check

   5 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   6 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
   1 ALERT type 4 Improvement, methodology, query or suggestion

Computing details top

Data collection: SMART (Bruker, 2002); cell refinement: SAINT (Bruker, 2002); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ORTEP-3 for Windows (Farrugia, 1997); software used to prepare material for publication: WinGX (Farrugia, 1999).

Poly[(1,10-phenanthroline)(µ₄-4-sulfonatobenzoato)lead(II) hydrate] top

Crystal data top

[Pb(C₁₂H₈N₂)(C₇H₄O₅S)]·H₂O	F(000) = 2304
M_r = 605.57	D_x = 2.159 Mg m⁻³
Orthorhombic, Pbca	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ac 2ab	Cell parameters from 3784 reflections
a = 9.8745 (7) Å	θ = 2.5–25.2°
b = 17.3467 (11) Å	µ = 9.21 mm⁻¹
c = 21.7544 (14) Å	T = 298 K
V = 3726.3 (4) Å³	Block, colorless
Z = 8	0.29 × 0.14 × 0.07 mm

Data collection top

Bruker SMART area-detector diffractometer	4064 independent reflections
Radiation source: fine-focus sealed tube	3160 reflections with I > 2σ(I)
Graphite monochromator	R_int = 0.048
φ and ω scans	θ_max = 27.0°, θ_min = 2.4°
Absorption correction: multi-scan (SADABS; Bruker, 2002)	h = −12→12
T_min = 0.206, T_max = 0.523	k = −22→18
21368 measured reflections	l = −25→27

Refinement top

Refinement on F²	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F² > 2σ(F²)] = 0.032	Hydrogen site location: inferred from neighbouring sites
wR(F²) = 0.071	H-atom parameters constrained
S = 1.01	w = 1/[σ²(F_o²) + (0.0278P)² + 2.5851P] where P = (F_o² + 2F_c²)/3
4064 reflections	(Δ/σ)_max = 0.001
273 parameters	Δρ_max = 1.32 e Å⁻³
1 restraint	Δρ_min = −0.75 e Å⁻³

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

	x	y	z	U_iso*/U_eq	Occ. (<1)
Pb1	0.012034 (17)	0.385166 (11)	0.448302 (8)	0.03197 (8)
S1	0.72907 (12)	0.70615 (7)	0.44696 (6)	0.0340 (3)
N1	−0.0961 (4)	0.4317 (2)	0.34876 (17)	0.0329 (9)
N2	0.0954 (4)	0.3174 (2)	0.35195 (17)	0.0329 (9)
O1	0.1885 (4)	0.4734 (2)	0.41364 (15)	0.0455 (9)
O2	0.1613 (4)	0.50416 (19)	0.51176 (15)	0.0424 (9)
O3	0.8124 (4)	0.6697 (2)	0.40102 (17)	0.0560 (11)
O4	0.7882 (4)	0.7055 (2)	0.50752 (16)	0.0529 (10)
O5	0.6858 (4)	0.7817 (2)	0.4268 (2)	0.0570 (11)
O6A	1.0458 (11)	0.6033 (6)	0.3419 (8)	0.108 (4)	0.53
O6B	1.0701 (15)	0.6345 (9)	0.4038 (9)	0.142 (6)	0.47
C1	−0.1914 (5)	0.4849 (3)	0.3464 (2)	0.0441 (13)
H1	−0.2171	0.5086	0.3829	0.053*
C2	−0.2558 (6)	0.5074 (3)	0.2925 (2)	0.0481 (14)
H2	−0.3239	0.5444	0.2933	0.058*
C3	−0.2174 (5)	0.4745 (3)	0.2386 (2)	0.0440 (13)
H3	−0.2598	0.4885	0.2021	0.053*
C4	−0.1142 (5)	0.4197 (3)	0.2382 (2)	0.0358 (11)
C5	−0.0669 (6)	0.3859 (3)	0.1829 (2)	0.0454 (14)
H5	−0.1029	0.4016	0.1454	0.054*
C6	0.0302 (6)	0.3308 (3)	0.1841 (3)	0.0496 (15)
H6	0.0610	0.3098	0.1474	0.060*
C7	0.0863 (5)	0.3044 (3)	0.2412 (2)	0.0403 (12)
C8	0.1818 (6)	0.2453 (3)	0.2442 (3)	0.0535 (15)
H8	0.2113	0.2210	0.2085	0.064*
C9	0.2309 (6)	0.2235 (3)	0.2996 (3)	0.0524 (15)
H9	0.2943	0.1840	0.3024	0.063*
C10	0.1854 (5)	0.2609 (3)	0.3523 (3)	0.0449 (13)
H10	0.2204	0.2452	0.3900	0.054*
C11	0.0439 (5)	0.3384 (3)	0.2967 (2)	0.0315 (11)
C12	−0.0564 (5)	0.3987 (3)	0.2948 (2)	0.0293 (11)
C13	0.2244 (5)	0.5094 (3)	0.4615 (2)	0.0349 (12)
C14	0.3476 (5)	0.5595 (3)	0.4588 (2)	0.0302 (11)
C15	0.4091 (5)	0.5747 (3)	0.4026 (2)	0.0435 (13)
H15	0.3730	0.5538	0.3668	0.052*
C16	0.5230 (5)	0.6204 (3)	0.3993 (3)	0.0471 (15)
H16	0.5615	0.6318	0.3614	0.056*
C17	0.5792 (5)	0.6491 (3)	0.4521 (2)	0.0293 (10)
C18	0.5211 (5)	0.6346 (3)	0.5080 (2)	0.0414 (13)
H18	0.5597	0.6544	0.5437	0.050*
C19	0.4043 (5)	0.5901 (3)	0.5114 (2)	0.0394 (12)
H19	0.3640	0.5809	0.5493	0.047*

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
Pb1	0.03767 (12)	0.03310 (12)	0.02513 (11)	−0.00329 (8)	0.00132 (8)	−0.00071 (8)
S1	0.0327 (6)	0.0308 (7)	0.0384 (7)	0.0010 (5)	0.0000 (6)	0.0055 (6)
N1	0.041 (2)	0.032 (2)	0.026 (2)	−0.0006 (18)	0.0009 (18)	0.0016 (18)
N2	0.039 (2)	0.033 (2)	0.027 (2)	−0.0005 (18)	0.0024 (18)	−0.0029 (18)
O1	0.055 (2)	0.050 (2)	0.032 (2)	−0.0185 (18)	0.0093 (17)	−0.0104 (17)
O2	0.040 (2)	0.048 (2)	0.039 (2)	−0.0047 (16)	0.0108 (16)	−0.0084 (19)
O3	0.048 (2)	0.058 (3)	0.062 (3)	−0.0043 (19)	0.0230 (19)	−0.006 (2)
O4	0.047 (2)	0.065 (3)	0.046 (2)	−0.0118 (19)	−0.0094 (18)	0.008 (2)
O5	0.043 (2)	0.034 (2)	0.093 (3)	0.0024 (17)	−0.009 (2)	0.015 (2)
O6A	0.058 (6)	0.082 (8)	0.183 (14)	−0.001 (5)	0.031 (8)	0.045 (9)
O6B	0.084 (10)	0.139 (14)	0.204 (18)	0.005 (9)	−0.005 (12)	0.080 (13)
C1	0.054 (3)	0.040 (3)	0.038 (3)	0.006 (3)	0.008 (3)	−0.002 (3)
C2	0.056 (4)	0.048 (3)	0.040 (3)	0.018 (3)	0.003 (3)	0.009 (3)
C3	0.046 (3)	0.053 (4)	0.033 (3)	0.002 (3)	0.000 (2)	0.015 (3)
C4	0.041 (3)	0.037 (3)	0.029 (3)	−0.003 (2)	0.000 (2)	−0.001 (2)
C5	0.059 (4)	0.048 (4)	0.029 (3)	0.001 (3)	−0.002 (2)	0.001 (3)
C6	0.060 (4)	0.056 (4)	0.033 (3)	0.000 (3)	0.004 (3)	−0.012 (3)
C7	0.046 (3)	0.042 (3)	0.033 (3)	0.001 (2)	0.003 (2)	−0.006 (2)
C8	0.061 (4)	0.060 (4)	0.039 (3)	0.011 (3)	−0.002 (3)	−0.017 (3)
C9	0.053 (4)	0.050 (3)	0.054 (4)	0.021 (3)	−0.004 (3)	−0.015 (3)
C10	0.048 (3)	0.043 (3)	0.044 (3)	0.007 (3)	−0.006 (3)	0.000 (3)
C11	0.031 (3)	0.033 (3)	0.030 (3)	−0.004 (2)	−0.001 (2)	−0.003 (2)
C12	0.031 (2)	0.033 (3)	0.023 (2)	−0.007 (2)	0.0002 (19)	−0.004 (2)
C13	0.038 (3)	0.036 (3)	0.031 (3)	0.008 (2)	0.002 (2)	−0.005 (2)
C14	0.038 (3)	0.028 (3)	0.024 (3)	0.001 (2)	0.0038 (19)	−0.002 (2)
C15	0.054 (3)	0.051 (3)	0.026 (3)	−0.014 (3)	0.003 (2)	−0.008 (3)
C16	0.054 (4)	0.059 (4)	0.029 (3)	−0.014 (3)	0.010 (2)	−0.003 (3)
C17	0.033 (3)	0.027 (2)	0.028 (3)	0.0040 (19)	−0.002 (2)	−0.001 (2)
C18	0.046 (3)	0.051 (3)	0.027 (3)	−0.010 (2)	−0.005 (2)	−0.004 (2)
C19	0.044 (3)	0.043 (3)	0.031 (3)	−0.005 (2)	0.007 (2)	−0.002 (2)

Geometric parameters (Å, º) top

Pb1—O1	2.439 (3)	C4—C5	1.418 (7)
Pb1—O2	2.888 (3)	C5—C6	1.353 (8)
Pb1—O2ⁱ	2.715 (3)	C5—H5	0.9300
Pb1—O4ⁱⁱ	2.699 (4)	C6—C7	1.435 (7)
Pb1—O5ⁱⁱⁱ	2.694 (4)	C6—H6	0.9300
Pb1—N1	2.546 (4)	C7—C8	1.395 (7)
Pb1—N2	2.540 (4)	C7—C11	1.407 (6)
S1—O3	1.441 (4)	C8—C9	1.353 (7)
S1—O4	1.441 (4)	C8—H8	0.9300
S1—O5	1.446 (4)	C9—C10	1.392 (7)
S1—C17	1.784 (5)	C9—H9	0.9300
N1—C1	1.319 (6)	C10—H10	0.9300
N1—C12	1.364 (6)	C11—C12	1.441 (7)
N2—C10	1.324 (6)	C13—C14	1.496 (7)
N2—C11	1.356 (6)	C14—C19	1.381 (6)
O1—C13	1.265 (5)	C14—C15	1.390 (6)
O2—C13	1.262 (5)	C15—C16	1.378 (7)
C1—C2	1.390 (7)	C15—H15	0.9300
C1—H1	0.9300	C16—C17	1.370 (7)
C2—C3	1.358 (7)	C16—H16	0.9300
C2—H2	0.9300	C17—C18	1.368 (7)
C3—C4	1.395 (7)	C18—C19	1.390 (7)
C3—H3	0.9300	C18—H18	0.9300
C4—C12	1.405 (6)	C19—H19	0.9300

O1—Pb1—O2	48.28 (10)	N1—C1—H1	118.1
O1—Pb1—O2ⁱ	96.05 (11)	C2—C1—H1	118.1
O1—Pb1—O4ⁱⁱ	87.35 (12)	C3—C2—C1	118.9 (5)
O1—Pb1—O5ⁱⁱⁱ	151.95 (13)	C3—C2—H2	120.5
O1—Pb1—N1	80.65 (12)	C1—C2—H2	120.5
O1—Pb1—N2	78.68 (12)	C2—C3—C4	119.7 (5)
O2ⁱ—Pb1—O2	70.32 (12)	C2—C3—H3	120.2
O4ⁱⁱ—Pb1—O2	82.72 (10)	C4—C3—H3	120.2
O4ⁱⁱ—Pb1—O2ⁱ	139.34 (11)	C3—C4—C12	117.9 (4)
O5ⁱⁱⁱ—Pb1—O2	158.36 (11)	C3—C4—C5	121.9 (5)
O5ⁱⁱⁱ—Pb1—O4ⁱⁱ	101.74 (11)	C12—C4—C5	120.2 (5)
O5ⁱⁱⁱ—Pb1—O2ⁱ	94.01 (11)	C6—C5—C4	120.6 (5)
N1—Pb1—O2	113.20 (11)	C6—C5—H5	119.7
N1—Pb1—O2ⁱ	77.50 (11)	C4—C5—H5	119.7
N1—Pb1—O4ⁱⁱ	142.56 (12)	C5—C6—C7	121.1 (5)
N1—Pb1—O5ⁱⁱⁱ	76.08 (12)	C5—C6—H6	119.5
N2—Pb1—N1	65.22 (13)	C7—C6—H6	119.5
N2—Pb1—O2	124.04 (11)	C8—C7—C11	118.0 (5)
N2—Pb1—O2ⁱ	142.72 (11)	C8—C7—C6	122.4 (5)
N2—Pb1—O4ⁱⁱ	77.73 (12)	C11—C7—C6	119.6 (5)
N2—Pb1—O5ⁱⁱⁱ	77.49 (12)	C9—C8—C7	119.3 (5)
O1—Pb1—Pb1ⁱ	69.08 (8)	C9—C8—H8	120.4
N2—Pb1—Pb1ⁱ	145.52 (9)	C7—C8—H8	120.4
N1—Pb1—Pb1ⁱ	96.90 (9)	C8—C9—C10	119.3 (5)
O5ⁱⁱⁱ—Pb1—Pb1ⁱ	128.85 (8)	C8—C9—H9	120.4
O4ⁱⁱ—Pb1—Pb1ⁱ	111.69 (8)	C10—C9—H9	120.4
O2ⁱ—Pb1—Pb1ⁱ	36.40 (7)	N2—C10—C9	123.8 (5)
O2—Pb1—Pb1ⁱ	33.91 (7)	N2—C10—H10	118.1
O1—Pb1—Pb1^iv	177.87 (9)	C9—C10—H10	118.1
N2—Pb1—Pb1^iv	100.34 (8)	N2—C11—C7	122.4 (5)
N1—Pb1—Pb1^iv	100.69 (9)	N2—C11—C12	118.6 (4)
O5ⁱⁱⁱ—Pb1—Pb1^iv	28.30 (9)	C7—C11—C12	119.0 (4)
O4ⁱⁱ—Pb1—Pb1^iv	90.60 (8)	N1—C12—C4	121.9 (4)
O2ⁱ—Pb1—Pb1^iv	85.87 (7)	N1—C12—C11	118.5 (4)
O2—Pb1—Pb1^iv	131.98 (6)	C4—C12—C11	119.5 (4)
O3ⁱⁱ—Pb1—Pb1^iv	83.15 (5)	O2—C13—O1	122.6 (5)
Pb1ⁱ—Pb1—Pb1^iv	112.269 (6)	O2—C13—C14	118.6 (4)
O3—S1—O4	113.5 (2)	O1—C13—C14	118.8 (4)
O3—S1—O5	110.9 (2)	C19—C14—C15	118.6 (5)
O4—S1—O5	113.9 (2)	C19—C14—C13	121.3 (4)
O3—S1—C17	105.9 (2)	C15—C14—C13	120.1 (4)
O4—S1—C17	105.9 (2)	C16—C15—C14	120.8 (5)
O5—S1—C17	106.0 (2)	C16—C15—H15	119.6
C1—N1—C12	117.7 (4)	C14—C15—H15	119.6
C1—N1—Pb1	123.6 (3)	C17—C16—C15	119.7 (5)
C12—N1—Pb1	118.6 (3)	C17—C16—H16	120.1
C10—N2—C11	117.2 (4)	C15—C16—H16	120.1
C10—N2—Pb1	123.7 (3)	C18—C17—C16	120.6 (5)
C11—N2—Pb1	119.1 (3)	C18—C17—S1	120.4 (4)
C13—O1—Pb1	104.8 (3)	C16—C17—S1	119.0 (4)
C13—O2—Pb1ⁱ	122.5 (3)	C17—C18—C19	119.8 (5)
C13—O2—Pb1	83.7 (3)	C17—C18—H18	120.1
Pb1ⁱ—O2—Pb1	109.68 (12)	C19—C18—H18	120.1
S1—O4—Pb1ⁱⁱ	128.8 (2)	C14—C19—C18	120.4 (5)
S1—O5—Pb1^v	139.9 (2)	C14—C19—H19	119.8
N1—C1—C2	123.7 (5)	C18—C19—H19	119.8

O1—Pb1—N1—C1	−100.5 (4)	C17—S1—O5—Pb1^v	42.8 (4)
N2—Pb1—N1—C1	177.8 (4)	C12—N1—C1—C2	1.8 (8)
O5ⁱⁱⁱ—Pb1—N1—C1	95.3 (4)	Pb1—N1—C1—C2	−176.4 (4)
O4ⁱⁱ—Pb1—N1—C1	−173.5 (3)	N1—C1—C2—C3	−1.5 (9)
O2ⁱ—Pb1—N1—C1	−2.1 (4)	C1—C2—C3—C4	−0.5 (8)
O2—Pb1—N1—C1	−64.0 (4)	C2—C3—C4—C12	2.0 (8)
Pb1ⁱ—Pb1—N1—C1	−33.1 (4)	C2—C3—C4—C5	−177.5 (5)
Pb1^iv—Pb1—N1—C1	81.2 (4)	C3—C4—C5—C6	−177.7 (5)
O1—Pb1—N1—C12	81.4 (3)	C12—C4—C5—C6	2.8 (8)
N2—Pb1—N1—C12	−0.4 (3)	C4—C5—C6—C7	0.9 (9)
O5ⁱⁱⁱ—Pb1—N1—C12	−82.8 (3)	C5—C6—C7—C8	176.9 (6)
O4ⁱⁱ—Pb1—N1—C12	8.4 (4)	C5—C6—C7—C11	−2.6 (8)
O2ⁱ—Pb1—N1—C12	179.8 (3)	C11—C7—C8—C9	−0.8 (8)
O2—Pb1—N1—C12	117.8 (3)	C6—C7—C8—C9	179.7 (5)
Pb1ⁱ—Pb1—N1—C12	148.8 (3)	C7—C8—C9—C10	−0.2 (9)
Pb1^iv—Pb1—N1—C12	−96.9 (3)	C11—N2—C10—C9	1.2 (7)
O1—Pb1—N2—C10	96.8 (4)	Pb1—N2—C10—C9	179.8 (4)
N1—Pb1—N2—C10	−178.4 (4)	C8—C9—C10—N2	0.1 (9)
O5ⁱⁱⁱ—Pb1—N2—C10	−98.1 (4)	C10—N2—C11—C7	−2.3 (7)
O4ⁱⁱ—Pb1—N2—C10	7.1 (4)	Pb1—N2—C11—C7	179.1 (4)
O2ⁱ—Pb1—N2—C10	−178.1 (3)	C10—N2—C11—C12	178.7 (4)
O2—Pb1—N2—C10	79.4 (4)	Pb1—N2—C11—C12	0.0 (6)
O3ⁱⁱ—Pb1—N2—C10	6.1 (4)	C8—C7—C11—N2	2.1 (8)
Pb1ⁱ—Pb1—N2—C10	117.6 (4)	C6—C7—C11—N2	−178.4 (5)
Pb1^iv—Pb1—N2—C10	−81.3 (4)	C8—C7—C11—C12	−178.8 (5)
O1—Pb1—N2—C11	−84.7 (3)	C6—C7—C11—C12	0.7 (7)
N1—Pb1—N2—C11	0.2 (3)	C1—N1—C12—C4	−0.2 (7)
O5ⁱⁱⁱ—Pb1—N2—C11	80.5 (3)	Pb1—N1—C12—C4	178.1 (3)
O4ⁱⁱ—Pb1—N2—C11	−174.4 (3)	C1—N1—C12—C11	−177.7 (4)
O2ⁱ—Pb1—N2—C11	0.4 (4)	Pb1—N1—C12—C11	0.6 (5)
O2—Pb1—N2—C11	−102.1 (3)	C3—C4—C12—N1	−1.7 (7)
O3ⁱⁱ—Pb1—N2—C11	−175.3 (3)	C5—C4—C12—N1	177.8 (5)
Pb1ⁱ—Pb1—N2—C11	−63.8 (4)	C3—C4—C12—C11	175.8 (5)
Pb1^iv—Pb1—N2—C11	97.3 (3)	C5—C4—C12—C11	−4.7 (7)
N2—Pb1—O1—C13	−156.1 (3)	N2—C11—C12—N1	−0.4 (7)
N1—Pb1—O1—C13	137.5 (3)	C7—C11—C12—N1	−179.5 (4)
O5ⁱⁱⁱ—Pb1—O1—C13	171.6 (3)	N2—C11—C12—C4	−178.0 (4)
O4ⁱⁱ—Pb1—O1—C13	−78.1 (3)	C7—C11—C12—C4	2.9 (7)
O2ⁱ—Pb1—O1—C13	61.2 (3)	Pb1ⁱ—O2—C13—O1	−101.9 (5)
O2—Pb1—O1—C13	4.5 (3)	Pb1—O2—C13—O1	7.5 (5)
O3ⁱⁱ—Pb1—O1—C13	−40.3 (3)	Pb1ⁱ—O2—C13—C14	78.9 (5)
Pb1ⁱ—Pb1—O1—C13	36.3 (3)	Pb1—O2—C13—C14	−171.7 (4)
O1—Pb1—O2—C13	−4.4 (3)	Pb1—O1—C13—O2	−9.1 (6)
N2—Pb1—O2—C13	18.8 (3)	Pb1—O1—C13—C14	170.1 (3)
N1—Pb1—O2—C13	−56.1 (3)	O2—C13—C14—C19	9.8 (7)
O5ⁱⁱⁱ—Pb1—O2—C13	−167.9 (3)	O1—C13—C14—C19	−169.4 (5)
O4ⁱⁱ—Pb1—O2—C13	88.6 (3)	O2—C13—C14—C15	−171.5 (5)
O2ⁱ—Pb1—O2—C13	−122.3 (3)	O1—C13—C14—C15	9.2 (7)
O3ⁱⁱ—Pb1—O2—C13	123.4 (3)	C19—C14—C15—C16	−1.0 (8)
Pb1ⁱ—Pb1—O2—C13	−122.3 (3)	C13—C14—C15—C16	−179.7 (5)
Pb1^iv—Pb1—O2—C13	172.8 (2)	C14—C15—C16—C17	2.3 (9)
O1—Pb1—O2—Pb1ⁱ	117.96 (18)	C15—C16—C17—C18	−1.9 (8)
N2—Pb1—O2—Pb1ⁱ	141.09 (13)	C15—C16—C17—S1	178.4 (4)
N1—Pb1—O2—Pb1ⁱ	66.21 (14)	O3—S1—C17—C18	140.1 (4)
O5ⁱⁱⁱ—Pb1—O2—Pb1ⁱ	−45.6 (3)	O4—S1—C17—C18	19.3 (5)
O4ⁱⁱ—Pb1—O2—Pb1ⁱ	−149.09 (13)	O5—S1—C17—C18	−102.0 (4)
O2ⁱ—Pb1—O2—Pb1ⁱ	0.0	O3—S1—C17—C16	−40.2 (5)
O3ⁱⁱ—Pb1—O2—Pb1ⁱ	−114.27 (13)	O4—S1—C17—C16	−161.0 (4)
Pb1^iv—Pb1—O2—Pb1ⁱ	−64.87 (14)	O5—S1—C17—C16	77.6 (5)
O3—S1—O4—Pb1ⁱⁱ	−19.0 (3)	C16—C17—C18—C19	0.3 (8)
O5—S1—O4—Pb1ⁱⁱ	−147.1 (2)	S1—C17—C18—C19	179.9 (4)
C17—S1—O4—Pb1ⁱⁱ	96.8 (3)	C15—C14—C19—C18	−0.6 (8)
O3—S1—O5—Pb1^v	157.3 (3)	C13—C14—C19—C18	178.0 (5)
O4—S1—O5—Pb1^v	−73.3 (4)	C17—C18—C19—C14	1.0 (8)

Symmetry codes: (i) −x, −y+1, −z+1; (ii) −x+1, −y+1, −z+1; (iii) −x+1/2, y−1/2, z; (iv) x−1/2, −y+1/2, −z+1; (v) −x+1/2, y+1/2, z.

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