Poly[[tetra­aqua­bis(μ5-1-carboxy­benzene-3,5-dicarboxyl­ato)dilead(II)] monohydrate]

Deng, H.-J.; Li, X.-H.

doi:10.1107/S1600536806034829

Poly[[tetraaquabis(μ₅-1-carboxybenzene-3,5-dicarboxylato)dilead(II)] monohydrate]

Crystals of the title compound, {[Pb₂(C₉H₄O₆)₂(H₂O)₄]·H₂O}_n, were obtained from an aqueous solution. In the crystal structure, each Pb^II cation is nine-coordinated by seven O atoms from five carboxylate groups of five 1-carboxybenzene-3,5-dicarboxylate (TBC) dianions and two water molecules. Pairs of Pb atoms are bridged by two tridentate carboxylate groups of two TBC dianions, yielding centrosymmetric dinuclear complexes. These are connected by TBC dianions, forming a three-dimensional network.

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Supporting information

	Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536806034829/fi2007sup1.cif Contains datablocks I, global
	Structure factor file (CIF format) https://doi.org/10.1107/S1600536806034829/fi2007Isup2.hkl Contains datablock I

CCDC reference: 624502

checkCIF report

Key indicators

Single-crystal X-ray study
T = 298 K
Mean (C-C) = 0.012 Å
R factor = 0.034
wR factor = 0.083
Data-to-parameter ratio = 11.4

checkCIF/PLATON results

No syntax errors found



Alert level A
PLAT306_ALERT_2_A Isolated Oxygen Atom (H-atoms Missing ?) .......         O9

Alert level C
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ ....          ?
PLAT250_ALERT_2_C Large U3/U1 Ratio for Average U(i,j) Tensor ....       2.01
PLAT342_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ...         12
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         72
            O4  -PB1 -C1  -C2   -111.00  4.00   1.554   1.555   1.555   1.555
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         73
            O1  -PB1 -C1  -C2    -85.00  4.00   1.555   1.555   1.555   1.555
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         74
            O2  -PB1 -C1  -C2    104.00  4.00   1.555   1.555   1.555   1.555
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         75
            O7  -PB1 -C1  -C2   -179.00  4.00   1.555   1.555   1.555   1.555
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         76
            O3  -PB1 -C1  -C2   -129.00  4.00   1.554   1.555   1.555   1.555
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         77
            O1  -PB1 -C1  -C2    -39.00  4.00   2.765   1.555   1.555   1.555
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         78
            O5  -PB1 -C1  -C2     50.00  4.00   1.444   1.555   1.555   1.555
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         79
            O2  -PB1 -C1  -C2    111.00  4.00   2.665   1.555   1.555   1.555
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         80
            O8  -PB1 -C1  -C2     31.00  4.00   1.555   1.555   1.555   1.555
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         81
            C8  -PB1 -C1  -C2   -119.00  4.00   1.554   1.555   1.555   1.555
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         82
            PB1 -PB1 -C1  -C2    -52.00  4.00   2.765   1.555   1.555   1.555
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         85
            PB1 -C1  -C2  -C7    116.00  4.00   1.555   1.555   1.555   1.555
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         88
            PB1 -C1  -C2  -C3    -64.00  4.00   1.555   1.555   1.555   1.555
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #        109
            C3  -C4  -C8  -PB1  -141.00  6.00   1.555   1.555   1.555   1.556
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #        110
            C5  -C4  -C8  -PB1    38.00  7.00   1.555   1.555   1.555   1.556
PLAT764_ALERT_4_C Overcomplete CIF Bond List Detected (Rep/Expd) .       1.33 Ratio

Alert level G
PLAT804_ALERT_5_G ARU-Pack Problem in PLATON Analysis ............          1 Times

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

   1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   2 ALERT type 2 Indicator that the structure model may be wrong or deficient
   1 ALERT type 3 Indicator that the structure quality may be low
  16 ALERT type 4 Improvement, methodology, query or suggestion
   1 ALERT type 5 Informative message, check

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: XP (Bruker, 2002); software used to prepare material for publication: SHELXL97.

Poly[[tetraaquabis(µ₅-1-carboxybenzene-3,5-dicarboxylato)dilead(II)] monohydrate] top

Crystal data top

[Pb₂(C₉H₄O₆)₂(H₂O)₄]·H₂O	Z = 1
M_r = 910.64	F(000) = 416
Triclinic, P1	D_x = 2.710 Mg m⁻³
Hall symbol: -P 1	Mo Kα radiation, λ = 0.71073 Å
a = 7.4106 (6) Å	Cell parameters from 3941 reflections
b = 8.2178 (7) Å	θ = 2.1–25.1°
c = 10.1424 (9) Å	µ = 15.16 mm⁻¹
α = 94.694 (10)°	T = 298 K
β = 105.165 (10)°	Prism, colourless
γ = 108.024 (9)°	0.10 × 0.06 × 0.05 mm
V = 557.91 (10) Å³

Data collection top

Bruker APEX area-detector diffractometer	1949 independent reflections
Radiation source: fine-focus sealed tube	1896 reflections with I > 2σ(I)
Graphite monochromator	R_int = 0.030
ω scans	θ_max = 25.1°, θ_min = 2.1°
Absorption correction: numerical (SADABS; Bruker, 2002)	h = −8→8
T_min = 0.344, T_max = 0.465	k = −9→9
3941 measured reflections	l = −12→12

Refinement top

Refinement on F²	Secondary atom site location: difference Fourier map
Least-squares matrix: full	Hydrogen site location: inferred from neighbouring sites
R[F² > 2σ(F²)] = 0.034	H-atom parameters constrained
wR(F²) = 0.083	w = 1/[σ²(F_o²) + (0.017P)² + 3.5615P] where P = (F_o² + 2F_c²)/3
S = 1.29	(Δ/σ)_max < 0.001
1949 reflections	Δρ_max = 1.48 e Å⁻³
171 parameters	Δρ_min = −1.57 e Å⁻³
0 restraints	Extinction correction: SHELXL97, Fc^*=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4
Primary atom site location: structure-invariant direct methods	Extinction coefficient: 0.0066 (8)

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
Pb1	0.70091 (4)	0.45634 (4)	−0.12785 (3)	0.02240 (18)
O1	0.9834 (9)	0.6611 (8)	0.0888 (6)	0.0265 (14)
O2	0.6848 (9)	0.5816 (9)	0.1154 (7)	0.0340 (16)
O3	0.7055 (9)	0.4877 (8)	0.6098 (6)	0.0269 (14)
O4	0.9609 (9)	0.6582 (9)	0.7797 (6)	0.0314 (15)
O5	1.4613 (9)	1.1493 (8)	0.6875 (6)	0.0303 (15)
O6	1.4330 (9)	1.1921 (8)	0.4689 (6)	0.0242 (13)
H6	1.5024	1.2924	0.5062	0.036*
O7	0.6194 (13)	0.7439 (12)	−0.1690 (9)	0.058 (2)
O8	0.6499 (12)	0.1893 (11)	0.0394 (8)	0.0492 (19)
O9	0.0000	1.0000	1.0000	0.149 (10)
C1	0.8657 (12)	0.6497 (11)	0.1615 (8)	0.0179 (16)
C2	0.9582 (11)	0.7249 (10)	0.3147 (8)	0.0165 (16)
C3	0.8724 (12)	0.6410 (10)	0.4099 (8)	0.0156 (16)
H3	0.7566	0.5442	0.3777	0.019*
C4	0.9578 (11)	0.7005 (10)	0.5501 (8)	0.0158 (16)
C5	1.1266 (12)	0.8502 (10)	0.5991 (9)	0.0194 (17)
H5	1.1855	0.8904	0.6940	0.023*
C6	1.2063 (11)	0.9390 (10)	0.5042 (9)	0.0181 (17)
C7	1.1250 (12)	0.8734 (10)	0.3636 (8)	0.0173 (16)
H7	1.1830	0.9298	0.3013	0.021*
C8	0.8692 (12)	0.6089 (11)	0.6529 (9)	0.0182 (17)
C9	1.3794 (11)	1.1022 (10)	0.5636 (8)	0.0164 (16)

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
Pb1	0.0235 (2)	0.0264 (2)	0.0104 (2)	0.00136 (14)	0.00281 (13)	0.00240 (13)
O1	0.027 (3)	0.037 (4)	0.011 (3)	0.004 (3)	0.006 (2)	0.004 (2)
O2	0.022 (3)	0.048 (4)	0.020 (3)	0.001 (3)	0.002 (3)	−0.005 (3)
O3	0.026 (3)	0.024 (3)	0.017 (3)	−0.007 (3)	0.003 (3)	0.005 (2)
O4	0.030 (3)	0.040 (4)	0.013 (3)	−0.003 (3)	0.005 (3)	0.008 (3)
O5	0.032 (3)	0.029 (3)	0.016 (3)	−0.006 (3)	0.003 (3)	0.004 (3)
O6	0.026 (3)	0.021 (3)	0.018 (3)	−0.002 (3)	0.005 (3)	0.005 (2)
O7	0.061 (5)	0.073 (6)	0.058 (6)	0.035 (5)	0.033 (5)	0.026 (5)
O8	0.050 (5)	0.054 (5)	0.041 (5)	0.017 (4)	0.010 (4)	0.011 (4)
O9	0.27 (3)	0.045 (9)	0.102 (15)	0.031 (14)	0.042 (18)	0.020 (9)
C1	0.017 (4)	0.022 (4)	0.010 (4)	0.005 (3)	0.000 (3)	0.002 (3)
C2	0.016 (4)	0.022 (4)	0.007 (4)	0.006 (3)	−0.002 (3)	0.001 (3)
C3	0.017 (4)	0.015 (4)	0.011 (4)	0.004 (3)	0.001 (3)	0.001 (3)
C4	0.017 (4)	0.017 (4)	0.011 (4)	0.003 (3)	0.001 (3)	0.006 (3)
C5	0.022 (4)	0.018 (4)	0.014 (4)	0.004 (3)	0.000 (3)	0.003 (3)
C6	0.015 (4)	0.018 (4)	0.019 (4)	0.002 (3)	0.005 (3)	0.003 (3)
C7	0.022 (4)	0.020 (4)	0.010 (4)	0.006 (3)	0.005 (3)	0.004 (3)
C8	0.021 (4)	0.020 (4)	0.020 (5)	0.011 (3)	0.011 (3)	0.010 (3)
C9	0.011 (4)	0.016 (4)	0.015 (4)	0.000 (3)	0.000 (3)	−0.002 (3)

Geometric parameters (Å, º) top

Pb1—O4ⁱ	2.562 (6)	O4—Pb1^v	2.562 (6)
Pb1—O1	2.617 (6)	O5—C9	1.214 (10)
Pb1—O2	2.641 (6)	O5—Pb1^vi	2.782 (6)
Pb1—O7	2.652 (9)	O6—C9	1.326 (10)
Pb1—O3ⁱ	2.702 (6)	O6—H6	0.8200
Pb1—O1ⁱⁱ	2.745 (6)	C1—C2	1.512 (11)
Pb1—O5ⁱⁱⁱ	2.782 (6)	C2—C7	1.382 (11)
Pb1—O2^iv	2.815 (6)	C2—C3	1.404 (12)
Pb1—O8	2.875 (8)	C3—C4	1.373 (11)
Pb1—C1	2.965 (8)	C3—H3	0.9300
Pb1—C8ⁱ	3.002 (8)	C4—C5	1.395 (11)
O1—C1	1.270 (10)	C4—C8	1.505 (11)
O1—Pb1ⁱⁱ	2.745 (6)	C5—C6	1.398 (12)
O2—C1	1.223 (10)	C5—H5	0.9300
O2—Pb1^iv	2.815 (6)	C6—C7	1.383 (11)
O3—C8	1.248 (11)	C6—C9	1.485 (10)
O3—Pb1^v	2.702 (6)	C7—H7	0.9300
O4—C8	1.252 (11)	C8—Pb1^v	3.002 (8)

O4ⁱ—Pb1—O1	73.32 (19)	O4ⁱ—Pb1—Pb1ⁱⁱ	68.33 (15)
O4ⁱ—Pb1—O2	115.5 (2)	O1—Pb1—Pb1ⁱⁱ	37.47 (14)
O1—Pb1—O2	49.49 (18)	O2—Pb1—Pb1ⁱⁱ	79.49 (14)
O4ⁱ—Pb1—O7	69.8 (2)	O7—Pb1—Pb1ⁱⁱ	114.5 (2)
O1—Pb1—O7	83.5 (3)	O3ⁱ—Pb1—Pb1ⁱⁱ	108.83 (13)
O2—Pb1—O7	76.0 (2)	O1ⁱⁱ—Pb1—Pb1ⁱⁱ	35.45 (12)
O4ⁱ—Pb1—O3ⁱ	48.94 (18)	O5ⁱⁱⁱ—Pb1—Pb1ⁱⁱ	123.72 (15)
O1—Pb1—O3ⁱ	122.19 (18)	O2^iv—Pb1—Pb1ⁱⁱ	142.65 (13)
O2—Pb1—O3ⁱ	150.9 (2)	O8—Pb1—Pb1ⁱⁱ	76.48 (16)
O7—Pb1—O3ⁱ	75.2 (2)	C1—Pb1—Pb1ⁱⁱ	56.96 (15)
O4ⁱ—Pb1—O1ⁱⁱ	72.2 (2)	C8ⁱ—Pb1—Pb1ⁱⁱ	88.85 (16)
O1—Pb1—O1ⁱⁱ	72.9 (2)	C1—O1—Pb1	92.8 (5)
O2—Pb1—O1ⁱⁱ	109.43 (19)	C1—O1—Pb1ⁱⁱ	128.1 (5)
O7—Pb1—O1ⁱⁱ	139.6 (2)	Pb1—O1—Pb1ⁱⁱ	107.1 (2)
O3ⁱ—Pb1—O1ⁱⁱ	89.96 (19)	C1—O2—Pb1	92.8 (5)
O4ⁱ—Pb1—O5ⁱⁱⁱ	113.70 (19)	C1—O2—Pb1^iv	151.1 (6)
O1—Pb1—O5ⁱⁱⁱ	158.2 (2)	Pb1—O2—Pb1^iv	114.9 (2)
O2—Pb1—O5ⁱⁱⁱ	130.57 (19)	C8—O3—Pb1^v	91.3 (5)
O7—Pb1—O5ⁱⁱⁱ	118.3 (3)	C8—O4—Pb1^v	97.9 (5)
O3ⁱ—Pb1—O5ⁱⁱⁱ	68.86 (18)	C9—O5—Pb1^vi	138.3 (5)
O1ⁱⁱ—Pb1—O5ⁱⁱⁱ	89.26 (19)	C9—O6—H6	109.5
O4ⁱ—Pb1—O2^iv	137.2 (2)	O2—C1—O1	124.1 (8)
O1—Pb1—O2^iv	113.42 (18)	O2—C1—C2	118.9 (7)
O2—Pb1—O2^iv	65.1 (2)	O1—C1—C2	117.1 (7)
O7—Pb1—O2^iv	69.3 (2)	O2—C1—Pb1	62.8 (4)
O3ⁱ—Pb1—O2^iv	107.94 (19)	O1—C1—Pb1	61.8 (4)
O1ⁱⁱ—Pb1—O2^iv	150.5 (2)	C2—C1—Pb1	171.4 (6)
O5ⁱⁱⁱ—Pb1—O2^iv	76.27 (19)	C7—C2—C3	119.1 (7)
O4ⁱ—Pb1—O8	142.0 (2)	C7—C2—C1	121.9 (7)
O1—Pb1—O8	87.6 (2)	C3—C2—C1	119.0 (7)
O2—Pb1—O8	69.9 (2)	C4—C3—C2	120.7 (7)
O7—Pb1—O8	141.6 (2)	C4—C3—H3	119.7
O3ⁱ—Pb1—O8	138.6 (2)	C2—C3—H3	119.7
O1ⁱⁱ—Pb1—O8	70.9 (2)	C3—C4—C5	120.0 (7)
O5ⁱⁱⁱ—Pb1—O8	74.4 (2)	C3—C4—C8	121.0 (7)
O2^iv—Pb1—O8	80.4 (2)	C5—C4—C8	119.0 (7)
O4ⁱ—Pb1—C1	96.0 (2)	C4—C5—C6	119.4 (8)
O1—Pb1—C1	25.3 (2)	C4—C5—H5	120.3
O2—Pb1—C1	24.3 (2)	C6—C5—H5	120.3
O7—Pb1—C1	80.6 (3)	C7—C6—C5	120.1 (7)
O3ⁱ—Pb1—C1	142.6 (2)	C7—C6—C9	123.5 (7)
O1ⁱⁱ—Pb1—C1	90.3 (2)	C5—C6—C9	116.4 (7)
O5ⁱⁱⁱ—Pb1—C1	148.5 (2)	C2—C7—C6	120.6 (7)
O2^iv—Pb1—C1	89.17 (19)	C2—C7—H7	119.7
O8—Pb1—C1	75.7 (2)	C6—C7—H7	119.7
O4ⁱ—Pb1—C8ⁱ	24.4 (2)	O3—C8—O4	121.8 (8)
O1—Pb1—C8ⁱ	97.6 (2)	O3—C8—C4	119.3 (8)
O2—Pb1—C8ⁱ	135.3 (2)	O4—C8—C4	118.9 (7)
O7—Pb1—C8ⁱ	70.0 (2)	O3—C8—Pb1^v	64.1 (5)
O3ⁱ—Pb1—C8ⁱ	24.6 (2)	O4—C8—Pb1^v	57.7 (4)
O1ⁱⁱ—Pb1—C8ⁱ	80.9 (2)	C4—C8—Pb1^v	175.1 (6)
O5ⁱⁱⁱ—Pb1—C8ⁱ	91.6 (2)	O5—C9—O6	123.6 (7)
O2^iv—Pb1—C8ⁱ	124.4 (2)	O5—C9—C6	122.7 (8)
O8—Pb1—C8ⁱ	148.4 (2)	O6—C9—C6	113.7 (7)
C1—Pb1—C8ⁱ	119.3 (2)

O4ⁱ—Pb1—O1—C1	152.6 (5)	O8—Pb1—C1—O2	−72.7 (5)
O2—Pb1—O1—C1	4.7 (5)	C8ⁱ—Pb1—C1—O2	137.5 (5)
O7—Pb1—O1—C1	81.8 (5)	Pb1ⁱⁱ—Pb1—C1—O2	−155.6 (6)
O3ⁱ—Pb1—O1—C1	149.8 (5)	O4ⁱ—Pb1—C1—O1	−26.3 (5)
O1ⁱⁱ—Pb1—O1—C1	−131.4 (6)	O2—Pb1—C1—O1	−171.4 (9)
O5ⁱⁱⁱ—Pb1—O1—C1	−95.0 (7)	O7—Pb1—C1—O1	−94.6 (5)
O2^iv—Pb1—O1—C1	17.8 (5)	O3ⁱ—Pb1—C1—O1	−44.5 (6)
O8—Pb1—O1—C1	−60.7 (5)	O1ⁱⁱ—Pb1—C1—O1	45.8 (5)
C8ⁱ—Pb1—O1—C1	150.6 (5)	O5ⁱⁱⁱ—Pb1—C1—O1	134.8 (5)
Pb1ⁱⁱ—Pb1—O1—C1	−131.4 (6)	O2^iv—Pb1—C1—O1	−163.7 (5)
O4ⁱ—Pb1—O1—Pb1ⁱⁱ	−76.0 (2)	O8—Pb1—C1—O1	115.9 (5)
O2—Pb1—O1—Pb1ⁱⁱ	136.1 (3)	C8ⁱ—Pb1—C1—O1	−33.9 (6)
O7—Pb1—O1—Pb1ⁱⁱ	−146.8 (3)	Pb1ⁱⁱ—Pb1—C1—O1	33.0 (4)
O3ⁱ—Pb1—O1—Pb1ⁱⁱ	−78.8 (3)	O4ⁱ—Pb1—C1—C2	−111 (4)
O1ⁱⁱ—Pb1—O1—Pb1ⁱⁱ	0.0	O1—Pb1—C1—C2	−85 (4)
O5ⁱⁱⁱ—Pb1—O1—Pb1ⁱⁱ	36.4 (6)	O2—Pb1—C1—C2	104 (4)
O2^iv—Pb1—O1—Pb1ⁱⁱ	149.2 (2)	O7—Pb1—C1—C2	−179 (4)
O8—Pb1—O1—Pb1ⁱⁱ	70.7 (2)	O3ⁱ—Pb1—C1—C2	−129 (4)
C1—Pb1—O1—Pb1ⁱⁱ	131.4 (6)	O1ⁱⁱ—Pb1—C1—C2	−39 (4)
C8ⁱ—Pb1—O1—Pb1ⁱⁱ	−78.0 (2)	O5ⁱⁱⁱ—Pb1—C1—C2	50 (4)
O4ⁱ—Pb1—O2—C1	−39.1 (6)	O2^iv—Pb1—C1—C2	111 (4)
O1—Pb1—O2—C1	−4.8 (5)	O8—Pb1—C1—C2	31 (4)
O7—Pb1—O2—C1	−98.2 (6)	C8ⁱ—Pb1—C1—C2	−119 (4)
O3ⁱ—Pb1—O2—C1	−89.4 (6)	Pb1ⁱⁱ—Pb1—C1—C2	−52 (4)
O1ⁱⁱ—Pb1—O2—C1	39.9 (6)	O2—C1—C2—C7	−144.8 (8)
O5ⁱⁱⁱ—Pb1—O2—C1	146.4 (5)	O1—C1—C2—C7	35.6 (11)
O2^iv—Pb1—O2—C1	−171.6 (7)	Pb1—C1—C2—C7	116 (4)
O8—Pb1—O2—C1	99.9 (6)	O2—C1—C2—C3	35.4 (11)
C8ⁱ—Pb1—O2—C1	−56.9 (6)	O1—C1—C2—C3	−144.2 (8)
Pb1ⁱⁱ—Pb1—O2—C1	20.6 (5)	Pb1—C1—C2—C3	−64 (4)
O4ⁱ—Pb1—O2—Pb1^iv	132.5 (3)	C7—C2—C3—C4	−3.0 (12)
O1—Pb1—O2—Pb1^iv	166.7 (4)	C1—C2—C3—C4	176.8 (7)
O7—Pb1—O2—Pb1^iv	73.4 (3)	C2—C3—C4—C5	2.8 (12)
O3ⁱ—Pb1—O2—Pb1^iv	82.2 (4)	C2—C3—C4—C8	−178.6 (7)
O1ⁱⁱ—Pb1—O2—Pb1^iv	−148.6 (2)	C3—C4—C5—C6	0.5 (12)
O5ⁱⁱⁱ—Pb1—O2—Pb1^iv	−42.1 (4)	C8—C4—C5—C6	−178.1 (7)
O2^iv—Pb1—O2—Pb1^iv	0.0	C4—C5—C6—C7	−3.6 (12)
O8—Pb1—O2—Pb1^iv	−88.5 (3)	C4—C5—C6—C9	176.8 (7)
C1—Pb1—O2—Pb1^iv	171.6 (7)	C3—C2—C7—C6	−0.1 (12)
C8ⁱ—Pb1—O2—Pb1^iv	114.7 (3)	C1—C2—C7—C6	−179.9 (7)
Pb1ⁱⁱ—Pb1—O2—Pb1^iv	−167.8 (3)	C5—C6—C7—C2	3.4 (12)
Pb1—O2—C1—O1	9.2 (9)	C9—C6—C7—C2	−177.0 (7)
Pb1^iv—O2—C1—O1	−154.9 (8)	Pb1^v—O3—C8—O4	3.0 (9)
Pb1—O2—C1—C2	−170.4 (6)	Pb1^v—O3—C8—C4	−176.1 (6)
Pb1^iv—O2—C1—C2	25.5 (17)	Pb1^v—O4—C8—O3	−3.2 (9)
Pb1^iv—O2—C1—Pb1	−164.0 (13)	Pb1^v—O4—C8—C4	175.9 (6)
Pb1—O1—C1—O2	−9.3 (9)	C3—C4—C8—O3	−7.0 (12)
Pb1ⁱⁱ—O1—C1—O2	−123.6 (8)	C5—C4—C8—O3	171.5 (8)
Pb1—O1—C1—C2	170.4 (6)	C3—C4—C8—O4	173.9 (8)
Pb1ⁱⁱ—O1—C1—C2	56.0 (9)	C5—C4—C8—O4	−7.6 (12)
Pb1ⁱⁱ—O1—C1—Pb1	−114.4 (6)	C3—C4—C8—Pb1^v	−141 (6)
O4ⁱ—Pb1—C1—O2	145.1 (5)	C5—C4—C8—Pb1^v	38 (7)
O1—Pb1—C1—O2	171.4 (9)	Pb1^vi—O5—C9—O6	20.8 (13)
O7—Pb1—C1—O2	76.8 (6)	Pb1^vi—O5—C9—C6	−158.1 (6)
O3ⁱ—Pb1—C1—O2	126.9 (5)	C7—C6—C9—O5	−172.6 (8)
O1ⁱⁱ—Pb1—C1—O2	−142.8 (5)	C5—C6—C9—O5	7.0 (12)
O5ⁱⁱⁱ—Pb1—C1—O2	−53.8 (7)	C7—C6—C9—O6	8.4 (11)
O2^iv—Pb1—C1—O2	7.6 (6)	C5—C6—C9—O6	−172.0 (7)

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

Hydrogen-bond geometry (Å, º) top

D—H···A	D—H	H···A	D···A	D—H···A
O6—H6···O3^vii	0.82	1.83	2.629 (8)	164

Symmetry code: (vii) x+1, y+1, z.

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Poly[[tetra­aqua­bis(μ5-1-carboxy­benzene-3,5-dicarboxyl­ato)dilead(II)] monohydrate]

Supporting information

Key indicators

checkCIF/PLATON results

Poly[[tetraaquabis(μ₅-1-carboxybenzene-3,5-dicarboxylato)dilead(II)] monohydrate]