Poly[[(1,10-phenanthroline)cadmium(II)]-μ3-2-(4-carboxyl­atophen­oxy)­propionato]

Kong, L.-L.; Gao, S.; Huo, L.-H.

doi:10.1107/S1600536807050350

Poly[[(1,10-phenanthroline)cadmium(II)]-μ₃-2-(4-carboxylatophenoxy)propionato]

In the title linear polymeric chain compound, [Cd(C₁₀H₈O₅)(C₁₂H₈N₂)]_n, the Cd^II ion exists in a monocapped triangular–prismatic geometry that is defined by two N atoms from a 1,10-phenanthroline molecule and five O atoms from three 2-(4-carboxylatophenoxy)propionate ligands. Adjacent chains are cross-linked via π–π stacking interactions between the 1,10-phenanthroline rings [centroid–centroid distance = 3.5894 (6) Å].

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Supporting information

	Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536807050350/ng2338sup1.cif Contains datablocks I, global
	Structure factor file (CIF format) https://doi.org/10.1107/S1600536807050350/ng2338Isup2.hkl Contains datablock I

CCDC reference: 667182

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Key indicators

Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.006 Å
R factor = 0.039
wR factor = 0.083
Data-to-parameter ratio = 16.0

checkCIF/PLATON results

No syntax errors found



Alert level C
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for         O1
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for         O2
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        Cd1
PLAT764_ALERT_4_C Overcomplete CIF Bond List Detected (Rep/Expd) .       1.11 Ratio

Alert level G
PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature        293 K
PLAT200_ALERT_1_G Check the Reported _diffrn_ambient_temperature .        293 K
PLAT793_ALERT_1_G Check the Absolute Configuration of C2     = ...          R
PLAT794_ALERT_5_G Check Predicted Bond Valency for Cd1         (2)       1.99

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

   3 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
   0 ALERT type 3 Indicator that the structure quality may be low
   1 ALERT type 4 Improvement, methodology, query or suggestion
   1 ALERT type 5 Informative message, check

Comment top

We are interested in the solid-state coordination chemistry of carboxyphenoxypropionic combining with specific transition-metals, a ligand that is a good candidate fir fabricating versatile coordination polymers. Recently, some structures of cobalt(II), nickel(II) and manganese(II) complexes incorporating 2-(4-carboxylatophenoxy)propionate groups had been reported (Deng et al., 2007a,b; Xiao et al., 2007).

As illustrated in Fig. 1 and Fig. 2, each Cd atom displays a distorted monocapped triangular prismatic geometry, with five carboxylate oxygen donors from three 2-(4-carboxylatophenoxy)propionato ligands, two nitrogen donors from one 1,10-phenanthroline ligand. Two CdN₂O₅ one-cap triangular prisms are combined by the carboxyl O1 and O1ⁱ atoms to form a binuclear unit. Then these binuclear units are linked by the 2-(4-carboxylatophenoxy)propionato ligands into a ribbon structure along b axis. Furthermore, the chains are connected through π-π stacking interactions between the adjacent 1,10-phenanthroline rings, forming a two-dimensional network.

Related literature top

For the cobalt(II), nickel(II) and manganese(II) complexes of 2-(4-carboxyphenoxy)propionic acid, see: Deng et al. (2007a,b); Xiao et al. (2007).

Experimental top

Cadmium nitrate tetrahydrate (10 mmol) was added to a hot H₂O/MeOH (v/v = 1:1) solution of 2-(4-carboxylatophenoxy)propionic acid (10 mmol) and 1,10-phenanthroline (10 mmol) and the pH value was adjusted to 5 with NaOH (0.2 M) solution. Colorless crystals were obtained from the filtered solution at room temperature over several days. Analysis: calculated for C₂₂H₁₆CdN₂O₅: C 52.77, H 3.22, N 5.59%; found: C 52.75, H 3.23, N 5.60%.

Structure description top

For the cobalt(II), nickel(II) and manganese(II) complexes of 2-(4-carboxyphenoxy)propionic acid, see: Deng et al. (2007a,b); Xiao et al. (2007).

Computing details top

Data collection: RAPID-AUTO (Rigaku Corporation, 1998); cell refinement: RAPID-AUTO (Rigaku Corporation, 1998); data reduction: CrystalStructure (Rigaku/MSC, 2002); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ORTEPII (Johnson, 1976); software used to prepare material for publication: SHELXL97 (Sheldrick, 1997).

Figures top

	Fig. 1. A view of the title complex, with the atom-numbering scheme. Displacement ellipsoids are drawn at the 30% probability level. [Symmetry code: (i) x,y - 1,z; (ii) -x,-y,-z + 1.]
	Fig. 2. Geometry of Cd.
	Fig. 3. The chain of (I), show the centroid···centroid distance. H atoms have been omitted for clarify.

Poly[[(1,10-phenanthroline)cadmium(II)]- µ₃-2-(4-carboxylatophenoxy)propionato] top

Crystal data top

[Cd(C₁₀H₈O₅)(C₁₂H₈N₂)]	F(000) = 2000
M_r = 500.77	D_x = 1.743 Mg m⁻³
Monoclinic, C2/c	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -C 2yc	Cell parameters from 13541 reflections
a = 21.214 (4) Å	θ = 3.1–27.5°
b = 10.506 (2) Å	µ = 1.18 mm⁻¹
c = 19.775 (4) Å	T = 293 K
β = 120.02 (3)°	Prism, colorless
V = 3816.4 (16) Å³	0.38 × 0.25 × 0.17 mm
Z = 8

Data collection top

Rigaku R-AXIS RAPID diffractometer	4351 independent reflections
Radiation source: fine-focus sealed tube	3474 reflections with I > 2σ(I)
Graphite monochromator	R_int = 0.041
Detector resolution: 10.000 pixels mm^-1	θ_max = 27.5°, θ_min = 3.5°
ω scans	h = −27→25
Absorption correction: multi-scan (ABSCOR; Higashi, 1995)	k = −13→13
T_min = 0.662, T_max = 0.824	l = −25→25
18185 measured reflections

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)] = 0.039	Hydrogen site location: inferred from neighbouring sites
wR(F²) = 0.083	H-atom parameters constrained
S = 1.06	w = 1/[σ²(F_o²) + (0.0225P)² + 14.3767P] where P = (F_o² + 2F_c²)/3
4351 reflections	(Δ/σ)_max = 0.001
272 parameters	Δρ_max = 0.86 e Å⁻³
0 restraints	Δρ_min = −0.58 e Å⁻³

Crystal data top

[Cd(C₁₀H₈O₅)(C₁₂H₈N₂)]	V = 3816.4 (16) Å³
M_r = 500.77	Z = 8
Monoclinic, C2/c	Mo Kα radiation
a = 21.214 (4) Å	µ = 1.18 mm⁻¹
b = 10.506 (2) Å	T = 293 K
c = 19.775 (4) Å	0.38 × 0.25 × 0.17 mm
β = 120.02 (3)°

Data collection top

Rigaku R-AXIS RAPID diffractometer	4351 independent reflections
Absorption correction: multi-scan (ABSCOR; Higashi, 1995)	3474 reflections with I > 2σ(I)
T_min = 0.662, T_max = 0.824	R_int = 0.041
18185 measured reflections

Refinement top

R[F² > 2σ(F²)] = 0.039	0 restraints
wR(F²) = 0.083	H-atom parameters constrained
S = 1.06	w = 1/[σ²(F_o²) + (0.0225P)² + 14.3767P] where P = (F_o² + 2F_c²)/3
4351 reflections	Δρ_max = 0.86 e Å⁻³
272 parameters	Δρ_min = −0.58 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
Cd1	0.097015 (14)	−0.03739 (2)	0.521545 (15)	0.03668 (9)
O1	0.02629 (17)	0.0381 (3)	0.58469 (19)	0.0702 (9)
O2	0.13086 (19)	0.1237 (3)	0.6179 (2)	0.0670 (9)
O3	0.13576 (18)	0.2592 (2)	0.73727 (15)	0.0568 (8)
O4	0.15814 (16)	0.8245 (3)	0.63802 (18)	0.0588 (8)
O5	0.06814 (15)	0.7552 (3)	0.52771 (16)	0.0510 (7)
N1	0.21148 (16)	−0.0571 (3)	0.52675 (18)	0.0392 (7)
N2	0.10454 (16)	0.1131 (3)	0.43895 (18)	0.0399 (7)
C1	0.0786 (2)	0.1073 (4)	0.6289 (2)	0.0494 (10)
C2	0.0826 (3)	0.1625 (4)	0.7016 (3)	0.0531 (10)
H2	0.0348	0.1966	0.6884	0.064*
C3	0.1034 (3)	0.0580 (4)	0.7616 (3)	0.0817 (17)
H3	0.1508	0.0259	0.7757	0.123*
H4	0.0684	−0.0097	0.7402	0.123*
H7	0.1042	0.0914	0.8072	0.123*
C4	0.1260 (2)	0.3743 (3)	0.7004 (2)	0.0415 (8)
C5	0.0629 (2)	0.4110 (4)	0.6340 (2)	0.0435 (9)
H5	0.0230	0.3566	0.6108	0.052*
C6	0.0600 (2)	0.5306 (4)	0.6024 (2)	0.0414 (8)
H6	0.0175	0.5557	0.5578	0.050*
C7	0.11833 (19)	0.6129 (3)	0.6356 (2)	0.0365 (8)
C8	0.1815 (2)	0.5746 (3)	0.7026 (2)	0.0404 (8)
H8	0.2212	0.6294	0.7262	0.049*
C9	0.1856 (2)	0.4556 (4)	0.7343 (2)	0.0441 (9)
H9	0.2284	0.4299	0.7783	0.053*
C10	0.1149 (2)	0.7393 (3)	0.5986 (2)	0.0387 (8)
C11	0.0535 (2)	0.1983 (4)	0.3986 (2)	0.0506 (10)
H11	0.0109	0.1962	0.4012	0.061*
C12	0.0604 (2)	0.2910 (4)	0.3524 (2)	0.0532 (10)
H12	0.0231	0.3492	0.3248	0.064*
C13	0.1224 (2)	0.2952 (4)	0.3481 (2)	0.0519 (10)
H13	0.1277	0.3561	0.3171	0.062*
C14	0.1783 (2)	0.2079 (4)	0.3904 (2)	0.0423 (9)
C15	0.2456 (2)	0.2076 (4)	0.3900 (3)	0.0516 (10)
H15	0.2531	0.2669	0.3598	0.062*
C16	0.2979 (2)	0.1233 (4)	0.4325 (2)	0.0524 (11)
H16	0.3411	0.1256	0.4313	0.063*
C17	0.2891 (2)	0.0296 (4)	0.4796 (2)	0.0447 (9)
C18	0.3425 (2)	−0.0587 (4)	0.5262 (3)	0.0555 (11)
H18	0.3862	−0.0611	0.5260	0.067*
C19	0.3310 (2)	−0.1409 (4)	0.5718 (3)	0.0571 (11)
H19	0.3669	−0.1986	0.6036	0.069*
C20	0.2645 (2)	−0.1377 (4)	0.5704 (2)	0.0477 (9)
H20	0.2571	−0.1949	0.6016	0.057*
C21	0.22354 (18)	0.0268 (3)	0.4822 (2)	0.0370 (8)
C22	0.16690 (19)	0.1176 (3)	0.4360 (2)	0.0362 (8)

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
Cd1	0.03487 (14)	0.03534 (14)	0.04202 (15)	−0.00154 (12)	0.02086 (12)	0.00385 (12)
O1	0.0508 (18)	0.0507 (18)	0.070 (2)	−0.0104 (15)	0.0014 (16)	0.0131 (16)
O2	0.090 (2)	0.0516 (18)	0.083 (2)	−0.0095 (17)	0.061 (2)	−0.0080 (17)
O3	0.084 (2)	0.0342 (14)	0.0413 (15)	−0.0031 (14)	0.0229 (16)	0.0033 (12)
O4	0.0590 (19)	0.0427 (16)	0.0630 (19)	−0.0142 (14)	0.0218 (16)	0.0026 (14)
O5	0.0501 (17)	0.0388 (15)	0.0534 (17)	0.0005 (12)	0.0180 (15)	0.0075 (13)
N1	0.0387 (16)	0.0376 (17)	0.0435 (17)	−0.0003 (13)	0.0222 (15)	−0.0026 (14)
N2	0.0359 (16)	0.0396 (17)	0.0482 (18)	0.0004 (13)	0.0241 (15)	0.0036 (14)
C1	0.055 (3)	0.0289 (19)	0.050 (2)	0.0017 (18)	0.016 (2)	0.0108 (17)
C2	0.067 (3)	0.038 (2)	0.063 (3)	−0.0015 (19)	0.040 (2)	0.0083 (19)
C3	0.131 (5)	0.050 (3)	0.067 (3)	−0.010 (3)	0.052 (4)	0.011 (2)
C4	0.056 (2)	0.0328 (18)	0.039 (2)	0.0022 (17)	0.0260 (19)	0.0010 (16)
C5	0.039 (2)	0.0355 (19)	0.053 (2)	−0.0056 (16)	0.0211 (19)	−0.0018 (17)
C6	0.0352 (19)	0.0395 (19)	0.045 (2)	0.0029 (16)	0.0167 (17)	0.0043 (17)
C7	0.0371 (19)	0.0323 (18)	0.042 (2)	0.0021 (15)	0.0209 (17)	0.0004 (15)
C8	0.040 (2)	0.0387 (19)	0.039 (2)	−0.0020 (15)	0.0172 (18)	−0.0063 (15)
C9	0.045 (2)	0.044 (2)	0.0324 (18)	0.0059 (18)	0.0110 (17)	0.0005 (17)
C10	0.037 (2)	0.0325 (18)	0.050 (2)	0.0015 (15)	0.0248 (19)	0.0002 (16)
C11	0.044 (2)	0.050 (2)	0.061 (3)	0.0047 (19)	0.029 (2)	0.010 (2)
C12	0.056 (3)	0.052 (2)	0.053 (2)	0.008 (2)	0.028 (2)	0.015 (2)
C13	0.066 (3)	0.047 (2)	0.048 (2)	−0.007 (2)	0.032 (2)	0.0052 (19)
C14	0.053 (2)	0.0376 (19)	0.042 (2)	−0.0096 (17)	0.029 (2)	−0.0046 (17)
C15	0.059 (3)	0.057 (3)	0.056 (3)	−0.015 (2)	0.041 (2)	−0.006 (2)
C16	0.048 (2)	0.067 (3)	0.059 (3)	−0.014 (2)	0.039 (2)	−0.014 (2)
C17	0.040 (2)	0.052 (2)	0.048 (2)	−0.0061 (18)	0.0261 (18)	−0.0157 (19)
C18	0.039 (2)	0.065 (3)	0.065 (3)	0.000 (2)	0.028 (2)	−0.014 (2)
C19	0.042 (2)	0.060 (3)	0.060 (3)	0.010 (2)	0.019 (2)	−0.006 (2)
C20	0.047 (2)	0.043 (2)	0.050 (2)	0.0031 (18)	0.022 (2)	−0.0030 (18)
C21	0.0340 (18)	0.0376 (19)	0.0416 (19)	−0.0043 (15)	0.0205 (16)	−0.0103 (16)
C22	0.0379 (19)	0.0364 (18)	0.0376 (19)	−0.0060 (15)	0.0214 (17)	−0.0089 (15)

Geometric parameters (Å, º) top

Cd1—O5ⁱ	2.283 (3)	C5—H5	0.9300
Cd1—N2	2.335 (3)	C6—C7	1.378 (5)
Cd1—O2	2.375 (3)	C6—H6	0.9300
Cd1—N1	2.388 (3)	C7—C8	1.392 (5)
Cd1—O1ⁱⁱ	2.400 (3)	C7—C10	1.500 (5)
Cd1—O4ⁱ	2.471 (3)	C8—C9	1.381 (5)
Cd1—O1	2.513 (4)	C8—H8	0.9300
O1—C1	1.247 (5)	C9—H9	0.9300
O1—Cd1ⁱⁱ	2.400 (3)	C10—Cd1ⁱⁱⁱ	2.719 (4)
O2—C1	1.243 (5)	C11—C12	1.392 (6)
O3—C4	1.374 (4)	C11—H11	0.9300
O3—C2	1.416 (5)	C12—C13	1.362 (6)
O4—C10	1.239 (4)	C12—H12	0.9300
O4—Cd1ⁱⁱⁱ	2.471 (3)	C13—C14	1.397 (6)
O5—C10	1.259 (4)	C13—H13	0.9300
O5—Cd1ⁱⁱⁱ	2.283 (3)	C14—C22	1.410 (5)
N1—C20	1.325 (5)	C14—C15	1.433 (5)
N1—C21	1.358 (5)	C15—C16	1.337 (6)
N2—C11	1.321 (5)	C15—H15	0.9300
N2—C22	1.354 (4)	C16—C17	1.430 (6)
C1—C2	1.512 (6)	C16—H16	0.9300
C2—C3	1.513 (6)	C17—C18	1.395 (6)
C2—H2	0.9800	C17—C21	1.418 (5)
C3—H3	0.9600	C18—C19	1.356 (6)
C3—H4	0.9600	C18—H18	0.9300
C3—H7	0.9600	C19—C20	1.397 (6)
C4—C5	1.381 (5)	C19—H19	0.9300
C4—C9	1.389 (5)	C20—H20	0.9300
C5—C6	1.390 (5)	C21—C22	1.446 (5)

O5ⁱ—Cd1—N2	142.89 (11)	C7—C6—C5	121.7 (3)
O5ⁱ—Cd1—O2	128.22 (11)	C7—C6—H6	119.1
N2—Cd1—O2	88.83 (11)	C5—C6—H6	119.1
O5ⁱ—Cd1—N1	102.07 (10)	C6—C7—C8	118.6 (3)
N2—Cd1—N1	70.43 (10)	C6—C7—C10	120.7 (3)
O2—Cd1—N1	97.73 (11)	C8—C7—C10	120.6 (3)
O5ⁱ—Cd1—O1ⁱⁱ	80.78 (10)	C9—C8—C7	120.4 (3)
N2—Cd1—O1ⁱⁱ	79.38 (11)	C9—C8—H8	119.8
O2—Cd1—O1ⁱⁱ	117.66 (12)	C7—C8—H8	119.8
N1—Cd1—O1ⁱⁱ	132.63 (12)	C8—C9—C4	120.1 (3)
O5ⁱ—Cd1—O4ⁱ	54.50 (10)	C8—C9—H9	119.9
N2—Cd1—O4ⁱ	149.55 (10)	C4—C9—H9	119.9
O2—Cd1—O4ⁱ	82.17 (11)	O4—C10—O5	121.8 (3)
N1—Cd1—O4ⁱ	81.99 (11)	O4—C10—C7	119.5 (3)
O1ⁱⁱ—Cd1—O4ⁱ	130.40 (10)	O5—C10—C7	118.7 (3)
O5ⁱ—Cd1—O1	91.82 (10)	O4—C10—Cd1ⁱⁱⁱ	65.2 (2)
N2—Cd1—O1	113.62 (10)	O5—C10—Cd1ⁱⁱⁱ	56.63 (19)
O2—Cd1—O1	52.59 (10)	C7—C10—Cd1ⁱⁱⁱ	175.1 (3)
N1—Cd1—O1	148.57 (10)	N2—C11—C12	123.2 (4)
O1ⁱⁱ—Cd1—O1	77.04 (13)	N2—C11—H11	118.4
O4ⁱ—Cd1—O1	83.54 (10)	C12—C11—H11	118.4
C1—O1—Cd1ⁱⁱ	144.5 (3)	C13—C12—C11	119.0 (4)
C1—O1—Cd1	89.3 (3)	C13—C12—H12	120.5
Cd1ⁱⁱ—O1—Cd1	102.96 (13)	C11—C12—H12	120.5
C1—O2—Cd1	96.0 (3)	C12—C13—C14	119.8 (4)
C4—O3—C2	119.8 (3)	C12—C13—H13	120.1
C10—O4—Cd1ⁱⁱⁱ	87.7 (2)	C14—C13—H13	120.1
C10—O5—Cd1ⁱⁱⁱ	95.9 (2)	C13—C14—C22	117.4 (4)
C20—N1—C21	117.6 (3)	C13—C14—C15	123.2 (4)
C20—N1—Cd1	126.7 (3)	C22—C14—C15	119.5 (4)
C21—N1—Cd1	115.7 (2)	C16—C15—C14	120.9 (4)
C11—N2—C22	118.2 (3)	C16—C15—H15	119.5
C11—N2—Cd1	124.0 (2)	C14—C15—H15	119.5
C22—N2—Cd1	117.6 (2)	C15—C16—C17	121.9 (4)
O2—C1—O1	121.2 (4)	C15—C16—H16	119.1
O2—C1—C2	118.8 (4)	C17—C16—H16	119.1
O1—C1—C2	119.7 (4)	C18—C17—C21	116.7 (4)
O3—C2—C1	113.7 (3)	C18—C17—C16	124.1 (4)
O3—C2—C3	106.4 (4)	C21—C17—C16	119.2 (4)
C1—C2—C3	108.9 (4)	C19—C18—C17	120.4 (4)
O3—C2—H2	109.2	C19—C18—H18	119.8
C1—C2—H2	109.2	C17—C18—H18	119.8
C3—C2—H2	109.2	C18—C19—C20	119.1 (4)
C2—C3—H3	109.5	C18—C19—H19	120.4
C2—C3—H4	109.5	C20—C19—H19	120.4
H3—C3—H4	109.5	N1—C20—C19	123.3 (4)
C2—C3—H7	109.5	N1—C20—H20	118.4
H3—C3—H7	109.5	C19—C20—H20	118.4
H4—C3—H7	109.5	N1—C21—C17	122.9 (3)
O3—C4—C5	124.6 (4)	N1—C21—C22	118.1 (3)
O3—C4—C9	115.3 (3)	C17—C21—C22	118.9 (3)
C5—C4—C9	120.2 (3)	N2—C22—C14	122.3 (3)
C4—C5—C6	118.9 (3)	N2—C22—C21	118.1 (3)
C4—C5—H5	120.5	C14—C22—C21	119.6 (3)
C6—C5—H5	120.5

O5ⁱ—Cd1—O1—C1	133.5 (2)	O2—C1—C2—C3	−100.2 (5)
N2—Cd1—O1—C1	−74.2 (2)	O1—C1—C2—C3	74.0 (5)
O2—Cd1—O1—C1	−5.5 (2)	C2—O3—C4—C5	8.6 (6)
N1—Cd1—O1—C1	16.6 (3)	C2—O3—C4—C9	−170.9 (3)
O1ⁱⁱ—Cd1—O1—C1	−146.4 (3)	O3—C4—C5—C6	179.8 (3)
O4ⁱ—Cd1—O1—C1	79.6 (2)	C9—C4—C5—C6	−0.7 (6)
C10ⁱ—Cd1—O1—C1	106.6 (2)	C4—C5—C6—C7	0.1 (6)
O5ⁱ—Cd1—O1—Cd1ⁱⁱ	−80.10 (11)	C5—C6—C7—C8	−0.3 (5)
N2—Cd1—O1—Cd1ⁱⁱ	72.12 (13)	C5—C6—C7—C10	177.5 (3)
O2—Cd1—O1—Cd1ⁱⁱ	140.88 (17)	C6—C7—C8—C9	1.0 (5)
N1—Cd1—O1—Cd1ⁱⁱ	162.94 (15)	C10—C7—C8—C9	−176.8 (3)
O1ⁱⁱ—Cd1—O1—Cd1ⁱⁱ	0.0	C7—C8—C9—C4	−1.5 (6)
O4ⁱ—Cd1—O1—Cd1ⁱⁱ	−134.06 (12)	O3—C4—C9—C8	−179.1 (3)
C10ⁱ—Cd1—O1—Cd1ⁱⁱ	−107.07 (12)	C5—C4—C9—C8	1.3 (6)
O5ⁱ—Cd1—O2—C1	−51.0 (3)	Cd1ⁱⁱⁱ—O4—C10—O5	2.2 (4)
N2—Cd1—O2—C1	126.9 (3)	Cd1ⁱⁱⁱ—O4—C10—C7	−178.5 (3)
N1—Cd1—O2—C1	−163.1 (2)	Cd1ⁱⁱⁱ—O5—C10—O4	−2.4 (4)
O1ⁱⁱ—Cd1—O2—C1	49.5 (3)	Cd1ⁱⁱⁱ—O5—C10—C7	178.3 (3)
O4ⁱ—Cd1—O2—C1	−82.3 (3)	C8—C7—C10—O4	−21.2 (5)
O1—Cd1—O2—C1	5.5 (2)	C6—C7—C10—O5	−19.6 (5)
C10ⁱ—Cd1—O2—C1	−68.1 (3)	C8—C7—C10—O5	158.2 (3)
O5ⁱ—Cd1—N1—C20	−39.4 (3)	C22—N2—C11—C12	1.0 (6)
N2—Cd1—N1—C20	178.5 (3)	Cd1—N2—C11—C12	177.0 (3)
O2—Cd1—N1—C20	92.5 (3)	N2—C11—C12—C13	−0.1 (7)
O1ⁱⁱ—Cd1—N1—C20	−127.9 (3)	C11—C12—C13—C14	−0.6 (6)
O4ⁱ—Cd1—N1—C20	11.6 (3)	C12—C13—C14—C22	0.3 (6)
O1—Cd1—N1—C20	75.0 (4)	C12—C13—C14—C15	−178.9 (4)
C10ⁱ—Cd1—N1—C20	−13.3 (3)	C13—C14—C15—C16	178.9 (4)
O5ⁱ—Cd1—N1—C21	143.2 (2)	C22—C14—C15—C16	−0.2 (6)
N2—Cd1—N1—C21	1.1 (2)	C14—C15—C16—C17	0.4 (6)
O2—Cd1—N1—C21	−84.9 (3)	C15—C16—C17—C18	−178.6 (4)
O1ⁱⁱ—Cd1—N1—C21	54.7 (3)	C15—C16—C17—C21	−0.8 (6)
O4ⁱ—Cd1—N1—C21	−165.8 (3)	C21—C17—C18—C19	−0.7 (6)
O1—Cd1—N1—C21	−102.4 (3)	C16—C17—C18—C19	177.1 (4)
C10ⁱ—Cd1—N1—C21	169.3 (2)	C17—C18—C19—C20	1.2 (6)
O5ⁱ—Cd1—N2—C11	98.3 (3)	C21—N1—C20—C19	−0.7 (6)
O2—Cd1—N2—C11	−78.9 (3)	Cd1—N1—C20—C19	−178.1 (3)
N1—Cd1—N2—C11	−177.6 (3)	C18—C19—C20—N1	−0.5 (6)
O1ⁱⁱ—Cd1—N2—C11	39.5 (3)	C20—N1—C21—C17	1.2 (5)
O4ⁱ—Cd1—N2—C11	−151.3 (3)	Cd1—N1—C21—C17	178.9 (3)
O1—Cd1—N2—C11	−31.2 (3)	C20—N1—C21—C22	−178.3 (3)
C10ⁱ—Cd1—N2—C11	146.5 (4)	Cd1—N1—C21—C22	−0.6 (4)
O5ⁱ—Cd1—N2—C22	−85.7 (3)	C18—C17—C21—N1	−0.5 (5)
O2—Cd1—N2—C22	97.1 (3)	C16—C17—C21—N1	−178.5 (3)
N1—Cd1—N2—C22	−1.5 (2)	C18—C17—C21—C22	179.0 (3)
O1ⁱⁱ—Cd1—N2—C22	−144.5 (3)	C16—C17—C21—C22	1.0 (5)
O4ⁱ—Cd1—N2—C22	24.8 (4)	C11—N2—C22—C14	−1.3 (5)
O1—Cd1—N2—C22	144.9 (2)	Cd1—N2—C22—C14	−177.5 (3)
C10ⁱ—Cd1—N2—C22	−37.4 (5)	C11—N2—C22—C21	178.1 (3)
Cd1—O2—C1—O1	−10.4 (4)	Cd1—N2—C22—C21	1.8 (4)
Cd1—O2—C1—C2	163.7 (3)	C13—C14—C22—N2	0.6 (5)
Cd1ⁱⁱ—O1—C1—O2	−101.9 (6)	C15—C14—C22—N2	179.9 (3)
Cd1—O1—C1—O2	9.8 (4)	C13—C14—C22—C21	−178.7 (3)
Cd1ⁱⁱ—O1—C1—C2	84.1 (6)	C15—C14—C22—C21	0.5 (5)
Cd1—O1—C1—C2	−164.2 (3)	N1—C21—C22—N2	−0.8 (5)
C4—O3—C2—C1	68.7 (5)	C17—C21—C22—N2	179.7 (3)
C4—O3—C2—C3	−171.4 (4)	N1—C21—C22—C14	178.6 (3)
O2—C1—C2—O3	18.3 (5)	C17—C21—C22—C14	−0.9 (5)
O1—C1—C2—O3	−167.6 (3)

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

Experimental details

Crystal data
Chemical formula	[Cd(C₁₀H₈O₅)(C₁₂H₈N₂)]
M_r	500.77
Crystal system, space group	Monoclinic, C2/c
Temperature (K)	293
a, b, c (Å)	21.214 (4), 10.506 (2), 19.775 (4)
β (°)	120.02 (3)
V (Å³)	3816.4 (16)
Z	8
Radiation type	Mo Kα
µ (mm⁻¹)	1.18
Crystal size (mm)	0.38 × 0.25 × 0.17

Data collection
Diffractometer	Rigaku R-AXIS RAPID
Absorption correction	Multi-scan (ABSCOR; Higashi, 1995)
T_min, T_max	0.662, 0.824
No. of measured, independent and observed [I > 2σ(I)] reflections	18185, 4351, 3474
R_int	0.041
(sin θ/λ)_max (Å⁻¹)	0.649

Refinement
R[F² > 2σ(F²)], wR(F²), S	0.039, 0.083, 1.06
No. of reflections	4351
No. of parameters	272
H-atom treatment	H-atom parameters constrained
	w = 1/[σ²(F_o²) + (0.0225P)² + 14.3767P] where P = (F_o² + 2F_c²)/3
Δρ_max, Δρ_min (e Å⁻³)	0.86, −0.58

Computer programs: RAPID-AUTO (Rigaku Corporation, 1998), CrystalStructure (Rigaku/MSC, 2002), SHELXS97 (Sheldrick, 1997), SHELXL97 (Sheldrick, 1997), ORTEPII (Johnson, 1976).

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Poly[[(1,10-phenanthroline)cadmium(II)]-μ3-2-(4-carboxyl­atophen­oxy)­propionato]

Supporting information

Key indicators

checkCIF/PLATON results

Poly[[(1,10-phenanthroline)cadmium(II)]-μ₃-2-(4-carboxylatophenoxy)propionato]