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In the title polymer, [Pb(C9H4O6)]n, the asymmetric unit con­tains a monomer of a PbII cation with a doubly de­pro­tonated 3-carb­oxy­benzene-1,2-di­carboxyl­ate dianion (1,2,3-Hbtc2-). Each PbII centre is seven-coordinated by seven O atoms of bridging carboxy/carboxyl­ate groups from five 1,2,3-Hbtc2- ligands, forming a distorted penta­gonal bipyramid. The PbII cations are bridged by 1,2,3-Hbtc2- anions, yielding two-dimensional chiral layers. The layers are stacked above each other to generate a three-dimensional supra­molecular architecture via a combination of C-H...O inter­actions. The thermogravimetric and optical properties are also reported.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S2053229614013667/yp3068sup1.cif
Contains datablocks I, global

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S2053229614013667/yp3068Isup2.hkl
Contains datablock I

pdf

Portable Document Format (PDF) file https://doi.org/10.1107/S2053229614013667/yp3068sup3.pdf
The IR spectrum for the title lead(II) coordination polymer

CCDC reference: 1007893

Computing details top

Data collection: APEX2 (Bruker, 2005); cell refinement: SAINT (Bruker, 2003); data reduction: SAINT (Bruker, 2003); program(s) used to solve structure: SHELXL2013 (Sheldrick, 2008); program(s) used to refine structure: SHELXL2013 (Sheldrick, 2008); molecular graphics: XP (Sheldrick, 2008) and DIAMOND (Brandenburg, 1999); software used to prepare material for publication: SHELXL2013 (Sheldrick, 2008) and PLATON (Spek, 2009).

Poly[(µ5-3-carboxybenzene-1,2-dicarboxylato)lead(II)] top
Crystal data top
[Pb(C9H4O6)]Dx = 3.033 Mg m3
Mr = 415.31Mo Kα radiation, λ = 0.71073 Å
Orthorhombic, P212121Cell parameters from 2173 reflections
a = 4.7900 (8) Åθ = 2.8–23.4°
b = 7.7306 (12) ŵ = 18.56 mm1
c = 24.562 (4) ÅT = 296 K
V = 909.5 (3) Å3Block, colourless
Z = 40.08 × 0.07 × 0.07 mm
F(000) = 752
Data collection top
Bruker APEXII CCD area-detector
diffractometer
1920 reflections with I > 2σ(I)
φ and ω scansRint = 0.062
Absorption correction: multi-scan
(SADABS; Bruker, 2003)
θmax = 27.6°, θmin = 2.8°
Tmin = 0.318, Tmax = 0.357h = 66
7913 measured reflectionsk = 1010
2091 independent reflectionsl = 3130
Refinement top
Refinement on F2Hydrogen site location: inferred from neighbouring sites
Least-squares matrix: fullH-atom parameters constrained
R[F2 > 2σ(F2)] = 0.030 w = 1/[σ2(Fo2) + (0.0002P)2]
where P = (Fo2 + 2Fc2)/3
wR(F2) = 0.055(Δ/σ)max < 0.001
S = 0.95Δρmax = 0.92 e Å3
2091 reflectionsΔρmin = 1.89 e Å3
146 parametersAbsolute structure: Flack x parameter determined using 712 quotients [(I+)-(I-)]/[(I+)+(I-)] (Parsons & Flack, 2004)
0 restraintsAbsolute structure parameter: 0.006 (13)
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.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
Pb10.57304 (7)0.31544 (5)0.22456 (2)0.01720 (11)
C10.3478 (18)0.2908 (14)0.3850 (4)0.015 (2)
C20.193 (2)0.4305 (15)0.3657 (4)0.019 (2)
C30.148 (2)0.5760 (15)0.4001 (4)0.020 (2)
C40.269 (2)0.5808 (15)0.4512 (4)0.022 (2)
H40.23860.67600.47360.027*
C50.435 (3)0.4448 (15)0.4695 (4)0.029 (3)
H50.52320.45170.50310.035*
C60.467 (2)0.2998 (16)0.4374 (4)0.026 (2)
H60.56850.20630.45060.031*
C70.386 (2)0.1275 (14)0.3530 (5)0.024 (3)
C80.063 (2)0.4280 (12)0.3089 (4)0.015 (2)
C90.030 (2)0.7199 (12)0.3813 (4)0.018 (2)
O10.4579 (19)0.0059 (10)0.3788 (3)0.034 (2)
O20.3343 (15)0.1268 (9)0.3024 (3)0.0226 (18)
O30.2079 (13)0.4809 (8)0.2693 (3)0.0187 (15)
O40.1825 (15)0.3759 (11)0.3067 (3)0.027 (2)
O50.0725 (17)0.7543 (9)0.3338 (3)0.0260 (17)
O60.1500 (15)0.8067 (11)0.4213 (3)0.0292 (18)
H6A0.25150.88180.40850.044*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Pb10.01956 (16)0.01638 (18)0.01564 (18)0.00080 (18)0.00175 (18)0.00035 (18)
C10.017 (5)0.015 (6)0.014 (5)0.001 (4)0.001 (4)0.003 (4)
C20.013 (4)0.027 (6)0.018 (6)0.001 (5)0.004 (4)0.008 (5)
C30.025 (6)0.018 (6)0.016 (6)0.005 (4)0.000 (4)0.001 (5)
C40.033 (6)0.022 (6)0.012 (6)0.005 (5)0.003 (5)0.005 (5)
C50.036 (6)0.031 (6)0.020 (6)0.012 (6)0.014 (6)0.002 (5)
C60.029 (5)0.025 (6)0.023 (6)0.006 (5)0.005 (5)0.009 (5)
C70.022 (6)0.021 (6)0.030 (7)0.001 (4)0.001 (5)0.003 (5)
C80.023 (5)0.005 (4)0.018 (5)0.002 (5)0.001 (5)0.001 (4)
C90.023 (5)0.012 (5)0.019 (5)0.004 (4)0.004 (4)0.002 (4)
O10.045 (5)0.022 (4)0.035 (5)0.011 (4)0.007 (4)0.001 (4)
O20.028 (4)0.018 (4)0.021 (4)0.002 (3)0.002 (3)0.003 (3)
O30.021 (3)0.020 (4)0.015 (4)0.004 (3)0.009 (3)0.001 (3)
O40.023 (4)0.042 (5)0.017 (4)0.006 (3)0.003 (3)0.003 (4)
O50.030 (4)0.037 (4)0.011 (4)0.016 (4)0.003 (4)0.004 (3)
O60.041 (5)0.023 (4)0.023 (4)0.018 (4)0.001 (3)0.001 (4)
Geometric parameters (Å, º) top
Pb1—O4i2.379 (7)C4—C51.393 (15)
Pb1—O32.430 (6)C4—H40.9300
Pb1—O2ii2.535 (7)C5—C61.379 (15)
Pb1—O22.663 (8)C5—H50.9300
Pb1—O5iii2.833 (8)C6—H60.9300
Pb1—O3iv2.795 (6)C7—O11.257 (13)
Pb1—O5iv2.829 (8)C7—O21.269 (13)
C1—C21.393 (14)C8—O41.246 (12)
C1—C61.409 (14)C8—O31.262 (12)
C1—C71.498 (15)C9—O51.215 (12)
C2—C31.423 (15)C9—O61.321 (12)
C2—C81.527 (15)O2—Pb1iv2.535 (7)
C3—C41.382 (13)O4—Pb1v2.379 (7)
C3—C91.475 (14)O6—H6A0.8200
O4i—Pb1—O382.4 (3)C4—C5—H5120.2
O4i—Pb1—O2ii87.1 (3)C5—C6—C1121.2 (10)
O3—Pb1—O2ii75.2 (2)C5—C6—H6119.4
O4i—Pb1—O273.2 (2)C1—C6—H6119.4
O3—Pb1—O269.8 (2)O1—C7—O2122.9 (11)
O2ii—Pb1—O2141.5 (2)O1—C7—C1117.4 (11)
C2—C1—C6119.2 (10)O2—C7—C1119.6 (10)
C2—C1—C7122.7 (9)O4—C8—O3126.2 (10)
C6—C1—C7118.1 (10)O4—C8—C2115.4 (9)
C1—C2—C3119.4 (9)O3—C8—C2118.4 (10)
C1—C2—C8121.2 (10)O5—C9—O6121.9 (9)
C3—C2—C8119.4 (9)O5—C9—C3124.3 (9)
C4—C3—C2119.9 (10)O6—C9—C3113.8 (9)
C4—C3—C9120.3 (10)C7—O2—Pb1iv103.0 (7)
C2—C3—C9119.8 (9)C7—O2—Pb1128.1 (7)
C3—C4—C5120.7 (11)Pb1iv—O2—Pb1104.9 (3)
C3—C4—H4119.6C8—O3—Pb1124.9 (6)
C5—C4—H4119.6C8—O4—Pb1v124.4 (7)
C6—C5—C4119.5 (10)C9—O6—H6A109.5
C6—C5—H5120.2
Symmetry codes: (i) x+1, y, z; (ii) x+1, y+1/2, z+1/2; (iii) x, y1/2, z+1/2; (iv) x+1, y1/2, z+1/2; (v) x1, y, z.
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
O6—H6A···O1vi0.821.802.592 (11)163
Symmetry code: (vi) x1, y+1, z.
 

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