Poly[di­aqua­[μ4-2-(carboxyl­atometh­oxy)benzoato][μ2-2-(carboxyl­atometh­oxy)benzoato]dicad­mium(II)]

Gaskin, G.J.; LaDuca, R.L.

doi:10.1107/S2414314619009532

Poly[diaqua[μ₄-2-(carboxylatomethoxy)benzoato][μ₂-2-(carboxylatomethoxy)benzoato]dicadmium(II)]

In the title compound, [Cd₂(C₉H₆O₅)₂(H₂O)₂]_n, the crystallographically distinct Cd^II cations are coordinated in pentagonal–bipyramidal and octahedral fashions. The 2-(carboxymethoxy)benzoate (cmb) ligands connect the Cd atoms into [Cd₂(cmb)₂(H₂O)₂)]_n coordination polymer ribbons that are oriented along the a-axis direction. Supramolecular layers are formed parallel to (01 $\overline{1}$ ) by O—H

O hydrogen bonding between the ribbons. The supramolecular three-dimensional crystal structure of the title compound is then constructed by π–π stacking interactions with a centroid–centroid distance of 3.622 (2) Å between cmb ligands in adjacent layer motifs.

Keywords: crystal structure; cadmium; 2-(carboxymethoxy)benzoate; coordination polymer; hydrogen bonding; π–π interactions.

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Supporting information

	Crystallographic Information File (CIF) https://doi.org/10.1107/S2414314619009532/lh4046sup1.cif Contains datablock I
	Structure factor file (CIF format) https://doi.org/10.1107/S2414314619009532/lh4046Isup3.hkl Contains datablock I

CCDC reference: 1937965

checkCIF report

Key indicators

Single-crystal X-ray study
T = 173 K
Mean (C-C) = 0.005 Å
R factor = 0.024
wR factor = 0.057
Data-to-parameter ratio = 12.2

checkCIF/PLATON results

No syntax errors found



Datablock: I


Alert level C
PLAT094_ALERT_2_C Ratio of Maximum / Minimum Residual Density ....       2.06 Report
PLAT911_ALERT_3_C Missing FCF Refl Between Thmin & STh/L=    0.600          6 Report

Alert level G
PLAT004_ALERT_5_G Polymeric Structure Found with Maximum Dimension          1 Info
PLAT007_ALERT_5_G Number of Unrefined Donor-H Atoms ..............          4 Report
PLAT154_ALERT_1_G The s.u.'s on the Cell Angles are Equal ..(Note)      0.001 Degree
PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X)  Cd2      --O10_a    .        6.2 s.u.
PLAT764_ALERT_4_G Overcomplete CIF Bond List Detected (Rep/Expd) .       1.12 Ratio
PLAT794_ALERT_5_G Tentative Bond Valency for Cd1       (II)      .       2.18 Info
PLAT794_ALERT_5_G Tentative Bond Valency for Cd2       (II)      .       2.07 Info
PLAT802_ALERT_4_G CIF Input Record(s) with more than 80 Characters         10 Info
PLAT804_ALERT_5_G Number of ARU-Code Packing Problem(s) in PLATON           3 Info
PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L=  0.600          7 Note
PLAT978_ALERT_2_G Number C-C Bonds with Positive Residual Density.          5 Info

   0 ALERT level A = Most likely a serious problem - resolve or explain
   0 ALERT level B = A potentially serious problem, consider carefully
   2 ALERT level C = Check. Ensure it is not caused by an omission or oversight
  11 ALERT level G = General information/check it is not something unexpected

   1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   3 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
   3 ALERT type 4 Improvement, methodology, query or suggestion
   5 ALERT type 5 Informative message, check

Computing details top

Data collection: COSMO (Bruker, 2009); cell refinement: SAINT (Bruker, 2013); data reduction: SAINT (Bruker, 2013); program(s) used to solve structure: SHELXT (Sheldrick, 2015a); program(s) used to refine structure: SHELXL (Sheldrick, 2015b); molecular graphics: OLEX2 (Dolomanov et al., 2009); software used to prepare material for publication: OLEX2 (Dolomanov et al., 2009).

Poly[diaqua[µ₄-2-(carboxylatomethoxy)benzoato][µ₂-2-(carboxylatomethoxy)benzoato]dicadmium(II)] top

Crystal data top

[Cd₂(C₉H₆O₅)₂(H₂O)₂]	Z = 2
M_r = 649.11	F(000) = 632
Triclinic, P1	D_x = 2.243 Mg m⁻³
a = 6.3966 (9) Å	Mo Kα radiation, λ = 0.71073 Å
b = 11.7504 (16) Å	Cell parameters from 7284 reflections
c = 13.3579 (19) Å	θ = 3.2–25.4°
α = 104.407 (1)°	µ = 2.28 mm⁻¹
β = 96.978 (1)°	T = 173 K
γ = 93.267 (1)°	Block, colourless
V = 961.3 (2) Å³	0.19 × 0.18 × 0.11 mm

Data collection top

Bruker APEXII CCD diffractometer	3536 independent reflections
Radiation source: sealed tube	3172 reflections with I > 2σ(I)
Graphite monochromator	R_int = 0.028
Detector resolution: 8.36 pixels mm^-1	θ_max = 25.4°, θ_min = 1.6°
ω scans	h = −7→7
Absorption correction: multi-scan (SADABS; Bruker, 2014/5)	k = −14→13
T_min = 0.663, T_max = 0.745	l = −16→16
10335 measured reflections

Refinement top

Refinement on F²	0 restraints
Least-squares matrix: full	Hydrogen site location: mixed
R[F² > 2σ(F²)] = 0.024	H-atom parameters constrained
wR(F²) = 0.057	w = 1/[σ²(F_o²) + (0.0194P)² + 1.6836P] where P = (F_o² + 2F_c²)/3
S = 1.06	(Δ/σ)_max = 0.001
3536 reflections	Δρ_max = 0.96 e Å⁻³
291 parameters	Δρ_min = −0.46 e Å⁻³

Special details top

Experimental. Data was collected using a BRUKER CCD (charge coupled device) based diffractometer equipped with an Oxford low-temperature apparatus operating at 173 K. A suitable crystal was chosen and mounted on a nylon loop using Paratone oil. Data were measured using omega scans of 0.5° per frame for 30 s. The total number of images were based on results from the program COSMO where redundancy was expected to be 4 and completeness to 0.83Å to 100%. Cell parameters were retrieved using APEX II software and refined using SAINT on all observed reflections.Data reduction was performed using the SAINT software which corrects for Lp. Scaling and absorption corrections were applied using SADABS6 multi-scan technique, supplied by George Sheldrick. The structure was solved by the direct method using the SHELXT program and refined by least squares method on F2, SHELXL, incorporated in OLEX2.

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. The structure was refined by Least Squares using version 2018/3 of XL (Sheldrick, 2015) incorporated in Olex2 (Dolomanov et al., 2009). All non-hydrogen atoms were refined anisotropically. Hydrogen atom positions were calculated geometrically and refined using the riding model, except for the Hydrogen atom on the nitrogen atom which was found by difference Fourier methods and refined isotropically.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å²) top

	x	y	z	U_iso*/U_eq
Cd1	0.30111 (3)	0.18731 (2)	0.26320 (2)	0.01372 (8)
Cd2	0.26261 (3)	0.56335 (2)	0.45843 (2)	0.01311 (7)
O1	0.6054 (4)	0.1503 (2)	0.19000 (17)	0.0199 (5)
O2	0.7503 (4)	0.0924 (2)	0.04417 (18)	0.0223 (5)
O3	0.3239 (4)	0.2625 (2)	0.10350 (17)	0.0192 (5)
O4	0.2524 (3)	0.37691 (19)	0.29797 (17)	0.0174 (5)
O5	0.1116 (4)	0.54112 (19)	0.29333 (17)	0.0206 (5)
O6	0.4298 (3)	0.08315 (19)	0.37674 (17)	0.0178 (5)
O7	0.5650 (3)	0.26916 (19)	0.42704 (17)	0.0165 (5)
O8	0.8603 (3)	0.22913 (18)	0.56197 (17)	0.0171 (5)
O9	1.0690 (3)	0.38854 (19)	0.49607 (16)	0.0154 (5)
O10	1.3856 (3)	0.45670 (19)	0.57865 (17)	0.0171 (5)
O11	−0.0206 (4)	0.1786 (2)	0.32737 (18)	0.0202 (5)
H11A	−0.0207	0.2381	0.3820	0.030*
H11B	−0.1387	0.1714	0.2845	0.030*
O12	0.1160 (4)	0.0302 (2)	0.14044 (17)	0.0215 (5)
H12A	0.1920	0.0021	0.0887	0.032*
H12B	0.0020	0.0533	0.1071	0.032*
C1	0.6117 (5)	0.1404 (3)	0.0939 (2)	0.0169 (7)
C2	0.4371 (5)	0.1873 (3)	0.0318 (2)	0.0173 (7)
H2A	0.4989	0.2321	−0.0129	0.021*
H2B	0.3400	0.1209	−0.0137	0.021*
C3	0.1492 (5)	0.3093 (3)	0.0643 (2)	0.0146 (7)
C4	0.0711 (5)	0.2810 (3)	−0.0415 (3)	0.0197 (7)
H4	0.1405	0.2289	−0.0905	0.024*
C5	−0.1080 (5)	0.3293 (3)	−0.0751 (3)	0.0223 (8)
H5	−0.1606	0.3105	−0.1475	0.027*
C6	−0.2112 (6)	0.4042 (3)	−0.0051 (3)	0.0224 (8)
H6	−0.3374	0.4343	−0.0286	0.027*
C7	−0.1298 (5)	0.4356 (3)	0.1002 (3)	0.0210 (7)
H7	−0.1995	0.4886	0.1483	0.025*
C8	0.0528 (5)	0.3903 (3)	0.1362 (2)	0.0149 (7)
C9	0.1449 (5)	0.4362 (3)	0.2489 (2)	0.0152 (7)
C10	0.5591 (5)	0.1631 (3)	0.4348 (2)	0.0140 (7)
C11	0.7138 (5)	0.1291 (3)	0.5142 (2)	0.0153 (7)
H11C	0.6386	0.1052	0.5673	0.018*
H11D	0.7889	0.0619	0.4798	0.018*
C12	1.0460 (5)	0.2124 (3)	0.6169 (2)	0.0130 (6)
C13	1.0573 (5)	0.1223 (3)	0.6671 (2)	0.0154 (7)
H13	0.9365	0.0691	0.6617	0.018*
C14	1.2463 (5)	0.1105 (3)	0.7252 (2)	0.0172 (7)
H14	1.2563	0.0473	0.7577	0.021*
C15	1.4200 (5)	0.1906 (3)	0.7360 (3)	0.0189 (7)
H15	1.5481	0.1835	0.7772	0.023*
C16	1.4071 (5)	0.2806 (3)	0.6867 (2)	0.0172 (7)
H16	1.5262	0.3362	0.6960	0.021*
C17	1.2230 (5)	0.2919 (3)	0.6235 (2)	0.0140 (7)
C18	1.2237 (5)	0.3837 (3)	0.5635 (2)	0.0132 (6)

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
Cd1	0.01275 (13)	0.01489 (13)	0.01405 (12)	0.00280 (9)	0.00192 (9)	0.00434 (9)
Cd2	0.01108 (13)	0.01325 (12)	0.01568 (12)	0.00162 (9)	0.00207 (9)	0.00483 (9)
O1	0.0175 (12)	0.0270 (13)	0.0167 (12)	0.0076 (10)	0.0049 (9)	0.0059 (10)
O2	0.0186 (12)	0.0241 (13)	0.0225 (12)	0.0048 (10)	0.0077 (10)	−0.0004 (10)
O3	0.0222 (13)	0.0228 (12)	0.0136 (11)	0.0109 (10)	0.0050 (9)	0.0036 (9)
O4	0.0178 (12)	0.0172 (11)	0.0167 (11)	0.0041 (9)	−0.0005 (9)	0.0041 (9)
O5	0.0260 (13)	0.0169 (12)	0.0182 (12)	0.0067 (10)	0.0034 (10)	0.0018 (9)
O6	0.0166 (12)	0.0152 (11)	0.0203 (12)	−0.0024 (9)	−0.0036 (9)	0.0058 (9)
O7	0.0176 (12)	0.0155 (11)	0.0172 (11)	0.0037 (9)	0.0002 (9)	0.0060 (9)
O8	0.0125 (11)	0.0141 (11)	0.0242 (12)	−0.0011 (9)	−0.0044 (9)	0.0079 (9)
O9	0.0139 (11)	0.0163 (11)	0.0170 (11)	0.0024 (9)	0.0021 (9)	0.0061 (9)
O10	0.0150 (12)	0.0136 (11)	0.0242 (12)	0.0002 (9)	0.0069 (9)	0.0059 (9)
O11	0.0151 (12)	0.0232 (12)	0.0201 (12)	0.0011 (10)	0.0050 (9)	0.0002 (10)
O12	0.0172 (12)	0.0246 (13)	0.0185 (12)	0.0015 (10)	0.0036 (10)	−0.0025 (10)
C1	0.0169 (17)	0.0137 (15)	0.0183 (16)	−0.0014 (13)	0.0027 (13)	0.0016 (12)
C2	0.0165 (17)	0.0186 (16)	0.0176 (16)	0.0035 (13)	0.0076 (13)	0.0030 (13)
C3	0.0171 (17)	0.0115 (15)	0.0170 (16)	0.0006 (12)	0.0034 (13)	0.0069 (12)
C4	0.0237 (19)	0.0148 (16)	0.0192 (17)	0.0005 (14)	0.0040 (14)	0.0019 (13)
C5	0.0231 (19)	0.0214 (18)	0.0213 (17)	−0.0045 (14)	−0.0070 (14)	0.0098 (14)
C6	0.0183 (18)	0.0228 (18)	0.0267 (18)	0.0002 (14)	−0.0034 (14)	0.0110 (15)
C7	0.0176 (18)	0.0199 (17)	0.0273 (18)	0.0023 (14)	0.0026 (14)	0.0098 (14)
C8	0.0143 (16)	0.0128 (15)	0.0184 (16)	−0.0013 (12)	0.0015 (13)	0.0068 (12)
C9	0.0123 (16)	0.0181 (16)	0.0158 (15)	−0.0009 (13)	0.0031 (13)	0.0057 (13)
C10	0.0142 (16)	0.0139 (16)	0.0157 (15)	0.0036 (13)	0.0076 (13)	0.0039 (12)
C11	0.0136 (16)	0.0125 (15)	0.0193 (16)	−0.0012 (13)	0.0001 (13)	0.0049 (12)
C12	0.0102 (15)	0.0135 (15)	0.0143 (15)	0.0024 (12)	0.0010 (12)	0.0018 (12)
C13	0.0136 (16)	0.0155 (16)	0.0175 (16)	−0.0006 (13)	0.0019 (13)	0.0055 (12)
C14	0.0255 (18)	0.0144 (16)	0.0142 (15)	0.0062 (13)	0.0022 (13)	0.0078 (12)
C15	0.0172 (17)	0.0220 (17)	0.0189 (16)	0.0046 (14)	−0.0019 (13)	0.0090 (13)
C16	0.0115 (16)	0.0203 (17)	0.0185 (16)	−0.0013 (13)	0.0012 (13)	0.0036 (13)
C17	0.0164 (17)	0.0118 (15)	0.0143 (15)	0.0025 (12)	0.0022 (13)	0.0037 (12)
C18	0.0134 (16)	0.0113 (15)	0.0147 (15)	0.0041 (12)	0.0065 (13)	0.0001 (12)

Geometric parameters (Å, º) top

Cd1—O1	2.298 (2)	O11—H11A	0.8766
Cd1—O3	2.520 (2)	O11—H11B	0.8772
Cd1—O4	2.208 (2)	O12—H12A	0.8993
Cd1—O6	2.283 (2)	O12—H12B	0.8991
Cd1—O7	2.537 (2)	C1—C2	1.520 (5)
Cd1—O11	2.330 (2)	C2—H2A	0.9900
Cd1—O12	2.296 (2)	C2—H2B	0.9900
Cd1—C10	2.742 (3)	C3—C4	1.391 (4)
Cd2—O4	2.648 (2)	C3—C8	1.401 (4)
Cd2—O5	2.243 (2)	C4—H4	0.9500
Cd2—O7ⁱ	2.297 (2)	C4—C5	1.383 (5)
Cd2—O9ⁱⁱ	2.526 (2)	C5—H5	0.9500
Cd2—O9ⁱ	2.338 (2)	C5—C6	1.375 (5)
Cd2—O10ⁱⁱ	2.361 (2)	C6—H6	0.9500
Cd2—O10ⁱⁱⁱ	2.374 (2)	C6—C7	1.388 (5)
O1—C1	1.266 (4)	C7—H7	0.9500
O2—C1	1.248 (4)	C7—C8	1.393 (5)
O3—C2	1.429 (4)	C8—C9	1.500 (4)
O3—C3	1.377 (4)	C10—C11	1.505 (4)
O4—C9	1.249 (4)	C11—H11C	0.9900
O5—C9	1.270 (4)	C11—H11D	0.9900
O6—C10	1.249 (4)	C12—C13	1.387 (4)
O7—Cd2ⁱ	2.297 (2)	C12—C17	1.405 (4)
O7—C10	1.275 (4)	C13—H13	0.9500
O8—C11	1.422 (3)	C13—C14	1.388 (5)
O8—C12	1.370 (4)	C14—H14	0.9500
O9—Cd2^iv	2.526 (2)	C14—C15	1.385 (5)
O9—Cd2ⁱ	2.338 (2)	C15—H15	0.9500
O9—C18	1.268 (4)	C15—C16	1.378 (5)
O10—Cd2ⁱⁱⁱ	2.374 (2)	C16—H16	0.9500
O10—Cd2^iv	2.361 (2)	C16—C17	1.397 (4)
O10—C18	1.269 (4)	C17—C18	1.496 (4)

O1—Cd1—O3	65.56 (8)	Cd1—O11—H11B	119.2
O1—Cd1—O7	81.95 (8)	H11A—O11—H11B	110.1
O1—Cd1—O11	167.04 (8)	Cd1—O12—H12A	111.1
O1—Cd1—C10	80.86 (8)	Cd1—O12—H12B	110.7
O3—Cd1—O7	120.43 (7)	H12A—O12—H12B	103.0
O3—Cd1—C10	139.43 (9)	O1—C1—C2	118.9 (3)
O4—Cd1—O1	111.25 (8)	O2—C1—O1	124.9 (3)
O4—Cd1—O3	69.81 (8)	O2—C1—C2	116.3 (3)
O4—Cd1—O6	127.85 (8)	O3—C2—C1	108.5 (3)
O4—Cd1—O7	78.68 (7)	O3—C2—H2A	110.0
O4—Cd1—O11	81.56 (8)	O3—C2—H2B	110.0
O4—Cd1—O12	130.05 (8)	C1—C2—H2A	110.0
O4—Cd1—C10	104.76 (8)	C1—C2—H2B	110.0
O6—Cd1—O1	85.47 (8)	H2A—C2—H2B	108.4
O6—Cd1—O3	150.85 (8)	O3—C3—C4	122.7 (3)
O6—Cd1—O7	54.31 (7)	O3—C3—C8	117.0 (3)
O6—Cd1—O11	88.00 (8)	C4—C3—C8	120.3 (3)
O6—Cd1—O12	96.77 (8)	C3—C4—H4	120.2
O6—Cd1—C10	26.85 (8)	C5—C4—C3	119.6 (3)
O7—Cd1—C10	27.60 (8)	C5—C4—H4	120.2
O11—Cd1—O3	119.67 (8)	C4—C5—H5	119.6
O11—Cd1—O7	103.23 (8)	C6—C5—C4	120.8 (3)
O11—Cd1—C10	98.15 (9)	C6—C5—H5	119.6
O12—Cd1—O1	91.10 (8)	C5—C6—H6	120.2
O12—Cd1—O3	81.33 (8)	C5—C6—C7	119.6 (3)
O12—Cd1—O7	150.54 (8)	C7—C6—H6	120.2
O12—Cd1—O11	78.55 (8)	C6—C7—H7	119.6
O12—Cd1—C10	123.09 (9)	C6—C7—C8	120.8 (3)
O5—Cd2—O4	52.32 (7)	C8—C7—H7	119.6
O5—Cd2—O7ⁱ	128.03 (8)	C3—C8—C9	122.9 (3)
O5—Cd2—O9ⁱ	85.48 (8)	C7—C8—C3	118.6 (3)
O5—Cd2—O9ⁱⁱ	98.88 (8)	C7—C8—C9	118.4 (3)
O5—Cd2—O10ⁱⁱⁱ	96.64 (8)	O4—C9—O5	120.5 (3)
O5—Cd2—O10ⁱⁱ	142.74 (8)	O4—C9—C8	122.9 (3)
O7ⁱ—Cd2—O4	151.33 (8)	O5—C9—C8	116.6 (3)
O7ⁱ—Cd2—O9ⁱ	93.14 (8)	O6—C10—Cd1	55.65 (16)
O7ⁱ—Cd2—O9ⁱⁱ	129.27 (7)	O6—C10—O7	122.3 (3)
O7ⁱ—Cd2—O10ⁱⁱ	88.12 (8)	O6—C10—C11	117.2 (3)
O7ⁱ—Cd2—O10ⁱⁱⁱ	79.41 (8)	O7—C10—Cd1	67.22 (17)
O9ⁱⁱ—Cd2—O4	70.79 (7)	O7—C10—C11	120.4 (3)
O9ⁱ—Cd2—O4	114.63 (7)	C11—C10—Cd1	168.7 (2)
O9ⁱ—Cd2—O9ⁱⁱ	69.96 (8)	O8—C11—C10	107.5 (2)
O9ⁱ—Cd2—O10ⁱⁱⁱ	171.93 (7)	O8—C11—H11C	110.2
O9ⁱ—Cd2—O10ⁱⁱ	103.18 (8)	O8—C11—H11D	110.2
O10ⁱⁱ—Cd2—O4	92.11 (7)	C10—C11—H11C	110.2
O10ⁱⁱⁱ—Cd2—O4	72.43 (7)	C10—C11—H11D	110.2
O10ⁱⁱ—Cd2—O9ⁱⁱ	53.09 (7)	H11C—C11—H11D	108.5
O10ⁱⁱⁱ—Cd2—O9ⁱⁱ	117.19 (7)	O8—C12—C13	121.1 (3)
O10ⁱⁱ—Cd2—O10ⁱⁱⁱ	79.83 (8)	O8—C12—C17	117.7 (3)
C1—O1—Cd1	121.9 (2)	C13—C12—C17	121.2 (3)
C2—O3—Cd1	110.90 (18)	C12—C13—H13	120.2
C3—O3—Cd1	117.78 (18)	C12—C13—C14	119.6 (3)
C3—O3—C2	118.6 (2)	C14—C13—H13	120.2
Cd1—O4—Cd2	140.68 (10)	C13—C14—H14	119.9
C9—O4—Cd1	132.37 (19)	C15—C14—C13	120.1 (3)
C9—O4—Cd2	84.27 (17)	C15—C14—H14	119.9
C9—O5—Cd2	102.8 (2)	C14—C15—H15	120.0
C10—O6—Cd1	97.50 (19)	C16—C15—C14	120.0 (3)
Cd2ⁱ—O7—Cd1	145.62 (10)	C16—C15—H15	120.0
C10—O7—Cd1	85.18 (17)	C15—C16—H16	119.2
C10—O7—Cd2ⁱ	128.9 (2)	C15—C16—C17	121.5 (3)
C12—O8—C11	118.3 (2)	C17—C16—H16	119.2
Cd2ⁱ—O9—Cd2^iv	110.04 (8)	C12—C17—C18	123.0 (3)
C18—O9—Cd2^iv	89.97 (18)	C16—C17—C12	117.5 (3)
C18—O9—Cd2ⁱ	122.20 (19)	C16—C17—C18	119.4 (3)
Cd2^iv—O10—Cd2ⁱⁱⁱ	100.17 (8)	O9—C18—O10	119.3 (3)
C18—O10—Cd2ⁱⁱⁱ	133.07 (19)	O9—C18—C17	121.7 (3)
C18—O10—Cd2^iv	97.67 (19)	O10—C18—C17	119.0 (3)
Cd1—O11—H11A	109.7

Cd1—O1—C1—O2	−161.2 (2)	O8—C12—C13—C14	−177.7 (3)
Cd1—O1—C1—C2	17.5 (4)	O8—C12—C17—C16	174.8 (3)
Cd1—O3—C2—C1	−35.1 (3)	O8—C12—C17—C18	−7.4 (4)
Cd1—O3—C3—C4	−134.4 (3)	C2—O3—C3—C4	3.9 (4)
Cd1—O3—C3—C8	47.0 (3)	C2—O3—C3—C8	−174.8 (3)
Cd1—O4—C9—O5	167.2 (2)	C3—O3—C2—C1	−176.0 (3)
Cd1—O4—C9—C8	−14.0 (5)	C3—C4—C5—C6	−0.5 (5)
Cd1—O6—C10—O7	8.9 (3)	C3—C8—C9—O4	−31.0 (5)
Cd1—O6—C10—C11	−169.8 (2)	C3—C8—C9—O5	147.8 (3)
Cd1—O7—C10—O6	−8.0 (3)	C4—C3—C8—C7	4.2 (5)
Cd1—O7—C10—C11	170.7 (3)	C4—C3—C8—C9	−172.0 (3)
Cd1—C10—C11—O8	124.5 (10)	C4—C5—C6—C7	2.6 (5)
Cd2—O4—C9—O5	3.3 (3)	C5—C6—C7—C8	−1.3 (5)
Cd2—O4—C9—C8	−177.9 (3)	C6—C7—C8—C3	−2.1 (5)
Cd2—O5—C9—O4	−4.0 (3)	C6—C7—C8—C9	174.2 (3)
Cd2—O5—C9—C8	177.1 (2)	C7—C8—C9—O4	152.9 (3)
Cd2ⁱ—O7—C10—Cd1	174.7 (2)	C7—C8—C9—O5	−28.3 (4)
Cd2ⁱ—O7—C10—O6	166.7 (2)	C8—C3—C4—C5	−2.9 (5)
Cd2ⁱ—O7—C10—C11	−14.6 (4)	C11—O8—C12—C13	−30.0 (4)
Cd2ⁱ—O9—C18—O10	−115.1 (3)	C11—O8—C12—C17	152.0 (3)
Cd2^iv—O9—C18—O10	−1.2 (3)	C12—O8—C11—C10	−163.6 (3)
Cd2^iv—O9—C18—C17	−179.4 (2)	C12—C13—C14—C15	2.2 (5)
Cd2ⁱ—O9—C18—C17	66.8 (3)	C12—C17—C18—O9	−6.1 (5)
Cd2^iv—O10—C18—O9	1.3 (3)	C12—C17—C18—O10	175.8 (3)
Cd2ⁱⁱⁱ—O10—C18—O9	−110.4 (3)	C13—C12—C17—C16	−3.2 (4)
Cd2ⁱⁱⁱ—O10—C18—C17	67.8 (4)	C13—C12—C17—C18	174.6 (3)
Cd2^iv—O10—C18—C17	179.5 (2)	C13—C14—C15—C16	−1.6 (5)
O1—C1—C2—O3	14.8 (4)	C14—C15—C16—C17	−1.5 (5)
O2—C1—C2—O3	−166.4 (3)	C15—C16—C17—C12	3.9 (5)
O3—C3—C4—C5	178.5 (3)	C15—C16—C17—C18	−174.0 (3)
O3—C3—C8—C7	−177.2 (3)	C16—C17—C18—O9	171.7 (3)
O3—C3—C8—C9	6.7 (4)	C16—C17—C18—O10	−6.4 (4)
O6—C10—C11—O8	173.0 (3)	C17—C12—C13—C14	0.2 (5)
O7—C10—C11—O8	−5.7 (4)

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

Hydrogen-bond geometry (Å, º) top

D—H···A	D—H	H···A	D···A	D—H···A
O11—H11A···O9ⁱⁱ	0.88	2.03	2.873 (3)	162
O11—H11B···O1ⁱⁱ	0.88	1.91	2.782 (3)	178
O12—H12A···O2^v	0.90	1.94	2.788 (3)	158
O12—H12B···O2ⁱⁱ	0.90	1.86	2.756 (3)	174

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

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Poly[di­aqua­[μ4-2-(carboxyl­atometh­oxy)benzoato][μ2-2-(carboxyl­atometh­oxy)benzoato]dicad­mium(II)]

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Poly[diaqua[μ₄-2-(carboxylatomethoxy)benzoato][μ₂-2-(carboxylatomethoxy)benzoato]dicadmium(II)]