Poly[(μ3-acetyl­enedicarboxyl­ato-κ4O,O′:O′′:O′′′)(1,10-phenanthroline-κ2N,N′)cadmium(II)]

Wang, H.-Y.; Gao, S.; Huo, L.-H.; Zhao, J.-G.

doi:10.1107/S1600536807057340

Poly[(μ₃-acetylenedicarboxylato-κ⁴O,O′:O′′:O′′′)(1,10-phenanthroline-κ²N,N′)cadmium(II)]

H.-Y. Wang, S. Gao, L.-H. Huo and J.-G. Zhao

In the title complex, [Cd(C₄O₄)(C₁₀H₈N₂)]_n, the Cd atom exists in a trigonal-prismatic geometry that is defined by the two N atoms of a 1,10-phenanthroline ligand and the four carboxylate O atoms of two different acetylenedicarboxylate dianions. Adjacent Cd atoms are bridged by acetylenedicarboxylate dianions, giving rise to a two-dimensional structure parallel to (100).

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Supporting information

	Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536807057340/ng2365sup1.cif Contains datablocks I, global
	Structure factor file (CIF format) https://doi.org/10.1107/S1600536807057340/ng2365Isup2.hkl Contains datablock I

CCDC reference: 672646

checkCIF report

Key indicators

Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.004 Å
R factor = 0.023
wR factor = 0.058
Data-to-parameter ratio = 15.2

checkCIF/PLATON results

No syntax errors found



Alert level C
PLAT062_ALERT_4_C Rescale T(min) & T(max) by .....................       0.98
PLAT094_ALERT_2_C Ratio of Maximum / Minimum Residual Density ....       2.40
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for         O1
PLAT371_ALERT_2_C Long   C(sp2)-C(sp1) Bond  C13    -   C14    ...       1.47 Ang.
PLAT371_ALERT_2_C Long   C(sp2)-C(sp1) Bond  C15    -   C16    ...       1.47 Ang.

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
PLAT794_ALERT_5_G Check Predicted Bond Valency for Cd1         (2)       2.04

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

   2 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   4 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 acetylenedicarboxylate acid, combining with specific transition metals to fabricate versatile coordination polymers. Some one-dimensional metal-organic frameworks have been reported (Wang et al., 2006a; Wang et al., 2006b). In order to further explore the behaviour of the acetylenedicarboxylate acid ligand, a new two-dimensional cadmium(II) complex had been obtained.

The molecular strucrure of the title compound is illustated in Fig. 1. Each Cd^II ion is a distorted trigonal prismatic geometry, defined by two N atoms of a 1,10-phenanthroline ligand and four carboxyl O atoms of two different acetylenedicarboxylate dianions. Adjacent Cd^II ions are bridged by tetradentate acetylenedicarboxylate dianions, giving rise to a two-dimensional structure parallel to (100) (Table 2 and Fig. 2).

Related literature top

The manganese(II) and cobalt(II) complexes of acetylenedicarboxylate acid have been characterized by X-ray crystallography (Wang et al., 2006a,b).

Experimental top

The title complex was prepared by the addition of cadmium nitrate tetrahydrate(1 mmol) and 1,10-phenanthroline (1 mmol) to a DMF solution of acetylenedicarboxylate acid (1 mmol). The pH value of the solution was adjusted to 7 with 1.0 mol/L NaOH solution. After the mixture was stirred for 30 min, the residue was filtered. The filtrate was allowed to evaporate at room temperature and crystals were obtained after two weeks. Analysis calculated for C₁₆H₈CdN₂O₄: C 47.30, H 1.99, N 6.90%; found: C 47.32, H 1.96, N 6.91%.

Computing details top

Data collection: RAPID-AUTO (Rigaku, 1998); cell refinement: RAPID-AUTO (Rigaku, 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. Molecular structure of the title compound with 30% probability ellipsoid for the non-H atoms. [Symmetry code: (i) -x,y + 1/2,-z + 1/2, (ii) -x,-y,-z + 1]
	Fig. 2. The two-dimensional structure of the title complex. H atoms have been omitted for clarify

Poly[(µ₃-acetylenedicarboxylato-κ⁴O,O':O'': O''')(1,10-phenanthroline-κ²N,N')cadmium(II)] top

Crystal data top

[Cd(C₄O₄)(C₁₀H₈N₂)]	F(000) = 792
M_r = 404.64	D_x = 1.934 Mg m⁻³
Monoclinic, P2₁/c	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ybc	Cell parameters from 11965 reflections
a = 9.6365 (19) Å	θ = 3.2–27.4°
b = 17.140 (3) Å	µ = 1.59 mm⁻¹
c = 8.4144 (17) Å	T = 293 K
β = 90.68 (3)°	Block, colorless
V = 1389.7 (5) Å³	0.34 × 0.24 × 0.20 mm
Z = 4

Data collection top

Rigaku RAXIS-RAPID diffractometer	3168 independent reflections
Radiation source: fine-focus sealed tube	2913 reflections with I > 2σ(I)
Graphite monochromator	R_int = 0.018
Detector resolution: 10.000 pixels mm^-1	θ_max = 27.4°, θ_min = 3.2°
ω scans	h = −12→12
Absorption correction: multi-scan (ABSCOR; Higashi, 1995)	k = −22→21
T_min = 0.613, T_max = 0.741	l = −10→10
13389 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)] = 0.023	Hydrogen site location: inferred from neighbouring sites
wR(F²) = 0.058	H-atom parameters constrained
S = 1.12	w = 1/[σ²(F_o²) + (0.0262P)² + 0.9731P] where P = (F_o² + 2F_c²)/3
3168 reflections	(Δ/σ)_max = 0.002
208 parameters	Δρ_max = 0.68 e Å⁻³
0 restraints	Δρ_min = −0.28 e Å⁻³

Crystal data top

[Cd(C₄O₄)(C₁₀H₈N₂)]	V = 1389.7 (5) Å³
M_r = 404.64	Z = 4
Monoclinic, P2₁/c	Mo Kα radiation
a = 9.6365 (19) Å	µ = 1.59 mm⁻¹
b = 17.140 (3) Å	T = 293 K
c = 8.4144 (17) Å	0.34 × 0.24 × 0.20 mm
β = 90.68 (3)°

Data collection top

Rigaku RAXIS-RAPID diffractometer	3168 independent reflections
Absorption correction: multi-scan (ABSCOR; Higashi, 1995)	2913 reflections with I > 2σ(I)
T_min = 0.613, T_max = 0.741	R_int = 0.018
13389 measured reflections

Refinement top

R[F² > 2σ(F²)] = 0.023	0 restraints
wR(F²) = 0.058	H-atom parameters constrained
S = 1.12	Δρ_max = 0.68 e Å⁻³
3168 reflections	Δρ_min = −0.28 e Å⁻³
208 parameters

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	0.216980 (16)	0.149141 (9)	0.29728 (2)	0.03198 (7)
O1	0.04393 (18)	0.05514 (11)	0.2587 (2)	0.0491 (4)
O2	0.22377 (18)	0.01572 (10)	0.4022 (2)	0.0426 (4)
O3	−0.20190 (18)	−0.20600 (10)	0.4529 (2)	0.0419 (4)
O4	−0.06832 (19)	−0.25630 (11)	0.2651 (2)	0.0498 (5)
N1	0.3193 (2)	0.11138 (11)	0.0587 (2)	0.0357 (4)
N2	0.45379 (19)	0.16375 (11)	0.3256 (2)	0.0327 (4)
C1	0.2543 (3)	0.08390 (16)	−0.0704 (3)	0.0477 (6)
H1	0.1581	0.0797	−0.0696	0.057*
C2	0.3253 (4)	0.06101 (18)	−0.2075 (3)	0.0550 (7)
H2	0.2767	0.0420	−0.2954	0.066*
C3	0.4649 (3)	0.06691 (16)	−0.2103 (3)	0.0521 (7)
H3	0.5130	0.0520	−0.3006	0.062*
C4	0.5380 (3)	0.09571 (14)	−0.0763 (3)	0.0431 (6)
C5	0.6862 (3)	0.10271 (18)	−0.0697 (4)	0.0568 (8)
H5	0.7373	0.0912	−0.1599	0.068*
C6	0.7533 (3)	0.12547 (19)	0.0633 (4)	0.0565 (7)
H6	0.8497	0.1287	0.0648	0.068*
C7	0.6766 (3)	0.14488 (14)	0.2034 (3)	0.0433 (6)
C8	0.7421 (3)	0.16644 (18)	0.3470 (4)	0.0529 (7)
H8	0.8384	0.1681	0.3543	0.063*
C9	0.6646 (3)	0.18468 (17)	0.4740 (4)	0.0511 (7)
H9	0.7070	0.1975	0.5703	0.061*
C10	0.5198 (3)	0.18415 (14)	0.4597 (3)	0.0409 (5)
H10	0.4675	0.1986	0.5470	0.049*
C11	0.5307 (2)	0.14312 (12)	0.1989 (3)	0.0332 (5)
C12	0.4596 (2)	0.11687 (13)	0.0562 (3)	0.0336 (5)
C13	0.1090 (2)	0.00483 (13)	0.3364 (3)	0.0352 (5)
C14	0.0436 (2)	−0.07199 (14)	0.3495 (3)	0.0352 (5)
C15	−0.0146 (2)	−0.13369 (14)	0.3593 (3)	0.0355 (5)
C16	−0.1001 (2)	−0.20456 (13)	0.3621 (3)	0.0328 (4)

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
Cd1	0.02869 (9)	0.02783 (9)	0.03960 (10)	0.00070 (6)	0.00744 (6)	−0.00041 (6)
O1	0.0420 (9)	0.0378 (9)	0.0677 (12)	−0.0010 (8)	0.0037 (9)	0.0061 (9)
O2	0.0401 (9)	0.0395 (9)	0.0482 (10)	−0.0113 (7)	0.0029 (8)	−0.0053 (8)
O3	0.0419 (9)	0.0367 (9)	0.0474 (10)	−0.0073 (7)	0.0138 (7)	−0.0062 (7)
O4	0.0443 (10)	0.0418 (10)	0.0636 (12)	−0.0123 (8)	0.0195 (9)	−0.0213 (9)
N1	0.0396 (10)	0.0336 (10)	0.0340 (10)	0.0042 (8)	0.0032 (8)	0.0024 (8)
N2	0.0316 (9)	0.0272 (9)	0.0392 (10)	−0.0005 (7)	0.0060 (8)	−0.0004 (8)
C1	0.0539 (15)	0.0504 (15)	0.0385 (13)	0.0049 (12)	−0.0078 (11)	−0.0003 (11)
C2	0.081 (2)	0.0500 (16)	0.0342 (13)	0.0111 (15)	−0.0083 (13)	−0.0006 (11)
C3	0.077 (2)	0.0434 (14)	0.0361 (13)	0.0170 (13)	0.0138 (13)	0.0027 (11)
C4	0.0551 (15)	0.0342 (12)	0.0403 (13)	0.0119 (11)	0.0146 (11)	0.0045 (10)
C5	0.0513 (16)	0.0576 (17)	0.0621 (18)	0.0172 (13)	0.0323 (14)	0.0043 (14)
C6	0.0362 (13)	0.0643 (18)	0.069 (2)	0.0104 (13)	0.0206 (13)	0.0025 (16)
C7	0.0326 (12)	0.0388 (13)	0.0588 (16)	0.0046 (10)	0.0095 (11)	0.0059 (11)
C8	0.0318 (12)	0.0570 (17)	0.0698 (19)	0.0000 (12)	−0.0037 (12)	0.0018 (15)
C9	0.0452 (14)	0.0486 (15)	0.0593 (17)	−0.0022 (12)	−0.0114 (13)	−0.0034 (13)
C10	0.0425 (13)	0.0368 (12)	0.0433 (13)	−0.0017 (10)	0.0019 (10)	−0.0034 (10)
C11	0.0334 (11)	0.0250 (10)	0.0413 (12)	0.0028 (8)	0.0077 (9)	0.0042 (9)
C12	0.0385 (11)	0.0265 (10)	0.0360 (11)	0.0079 (9)	0.0076 (9)	0.0038 (9)
C13	0.0356 (11)	0.0319 (11)	0.0384 (12)	−0.0065 (9)	0.0155 (9)	−0.0089 (9)
C14	0.0310 (10)	0.0350 (12)	0.0398 (12)	−0.0010 (9)	0.0032 (9)	−0.0069 (9)
C15	0.0325 (11)	0.0360 (12)	0.0381 (12)	−0.0028 (9)	0.0060 (9)	−0.0057 (9)
C16	0.0284 (10)	0.0311 (11)	0.0387 (12)	−0.0023 (8)	0.0005 (9)	−0.0037 (9)

Geometric parameters (Å, º) top

Cd1—O4ⁱ	2.2219 (17)	C2—H2	0.9300
Cd1—N2	2.3052 (19)	C3—C4	1.412 (4)
Cd1—O3ⁱⁱ	2.3227 (18)	C3—H3	0.9300
Cd1—N1	2.339 (2)	C4—C12	1.402 (3)
Cd1—O1	2.3386 (18)	C4—C5	1.433 (4)
Cd1—O2	2.4520 (18)	C5—C6	1.344 (5)
Cd1—C13	2.705 (2)	C5—H5	0.9300
O1—C13	1.246 (3)	C6—C7	1.438 (4)
O2—C13	1.246 (3)	C6—H6	0.9300
O3—C16	1.251 (3)	C7—C11	1.406 (3)
O3—Cd1ⁱⁱ	2.3227 (18)	C7—C8	1.405 (4)
O4—C16	1.246 (3)	C8—C9	1.348 (4)
O4—Cd1ⁱⁱⁱ	2.2219 (17)	C8—H8	0.9300
N1—C1	1.334 (3)	C9—C10	1.399 (4)
N1—C12	1.355 (3)	C9—H9	0.9300
N2—C10	1.335 (3)	C10—H10	0.9300
N2—C11	1.352 (3)	C11—C12	1.448 (3)
C1—C2	1.404 (4)	C13—C14	1.464 (3)
C1—H1	0.9300	C14—C15	1.200 (3)
C2—C3	1.350 (4)	C15—C16	1.468 (3)

O4ⁱ—Cd1—N2	125.44 (7)	C4—C3—H3	120.0
O4ⁱ—Cd1—O3ⁱⁱ	81.99 (7)	C12—C4—C3	117.2 (3)
N2—Cd1—O3ⁱⁱ	86.18 (7)	C12—C4—C5	119.6 (3)
O4ⁱ—Cd1—N1	106.04 (7)	C3—C4—C5	123.2 (3)
N2—Cd1—N1	72.05 (7)	C6—C5—C4	121.7 (3)
O3ⁱⁱ—Cd1—N1	157.58 (7)	C6—C5—H5	119.2
O4ⁱ—Cd1—O1	90.75 (7)	C4—C5—H5	119.2
N2—Cd1—O1	142.43 (6)	C5—C6—C7	120.2 (3)
O3ⁱⁱ—Cd1—O1	111.25 (7)	C5—C6—H6	119.9
N1—Cd1—O1	89.86 (7)	C7—C6—H6	119.9
O4ⁱ—Cd1—O2	141.24 (6)	C11—C7—C8	117.9 (3)
N2—Cd1—O2	92.40 (6)	C11—C7—C6	119.8 (3)
O3ⁱⁱ—Cd1—O2	93.85 (6)	C8—C7—C6	122.4 (3)
N1—Cd1—O2	92.37 (6)	C9—C8—C7	119.7 (3)
O1—Cd1—O2	54.79 (6)	C9—C8—H8	120.2
O4ⁱ—Cd1—C13	116.60 (7)	C7—C8—H8	120.2
N2—Cd1—C13	117.95 (7)	C8—C9—C10	119.5 (3)
O3ⁱⁱ—Cd1—C13	104.21 (6)	C8—C9—H9	120.3
N1—Cd1—C13	91.03 (7)	C10—C9—H9	120.3
O1—Cd1—C13	27.40 (7)	N2—C10—C9	122.6 (2)
O2—Cd1—C13	27.39 (7)	N2—C10—H10	118.7
C13—O1—Cd1	92.90 (14)	C9—C10—H10	118.7
C13—O2—Cd1	87.69 (14)	N2—C11—C7	122.0 (2)
C16—O3—Cd1ⁱⁱ	127.05 (15)	N2—C11—C12	118.5 (2)
C16—O4—Cd1ⁱⁱⁱ	120.75 (15)	C7—C11—C12	119.5 (2)
C1—N1—C12	118.1 (2)	N1—C12—C4	122.8 (2)
C1—N1—Cd1	126.75 (18)	N1—C12—C11	118.1 (2)
C12—N1—Cd1	115.14 (15)	C4—C12—C11	119.0 (2)
C10—N2—C11	118.3 (2)	O2—C13—O1	124.6 (2)
C10—N2—Cd1	125.24 (16)	O2—C13—C14	118.8 (2)
C11—N2—Cd1	116.20 (15)	O1—C13—C14	116.6 (2)
N1—C1—C2	122.6 (3)	O2—C13—Cd1	64.92 (12)
N1—C1—H1	118.7	O1—C13—Cd1	59.70 (12)
C2—C1—H1	118.7	C14—C13—Cd1	176.22 (18)
C3—C2—C1	119.3 (3)	C15—C14—C13	177.6 (3)
C3—C2—H2	120.4	C14—C15—C16	173.2 (3)
C1—C2—H2	120.4	O4—C16—O3	125.9 (2)
C2—C3—C4	120.0 (2)	O4—C16—C15	115.9 (2)
C2—C3—H3	120.0	O3—C16—C15	118.0 (2)

O4ⁱ—Cd1—O1—C13	−161.44 (15)	C11—C7—C8—C9	−0.1 (4)
N2—Cd1—O1—C13	33.1 (2)	C6—C7—C8—C9	179.4 (3)
O3ⁱⁱ—Cd1—O1—C13	−79.74 (15)	C7—C8—C9—C10	−1.9 (4)
N1—Cd1—O1—C13	92.52 (15)	C11—N2—C10—C9	−0.2 (4)
O2—Cd1—O1—C13	−0.48 (13)	Cd1—N2—C10—C9	173.54 (19)
O4ⁱ—Cd1—O2—C13	31.88 (18)	C8—C9—C10—N2	2.2 (4)
N2—Cd1—O2—C13	−159.79 (14)	C10—N2—C11—C7	−1.9 (3)
O3ⁱⁱ—Cd1—O2—C13	113.87 (14)	Cd1—N2—C11—C7	−176.29 (17)
N1—Cd1—O2—C13	−87.67 (14)	C10—N2—C11—C12	176.7 (2)
O1—Cd1—O2—C13	0.48 (13)	Cd1—N2—C11—C12	2.3 (2)
O4ⁱ—Cd1—N1—C1	−59.1 (2)	C8—C7—C11—N2	2.2 (4)
N2—Cd1—N1—C1	178.1 (2)	C6—C7—C11—N2	−177.4 (2)
O3ⁱⁱ—Cd1—N1—C1	−167.56 (19)	C8—C7—C11—C12	−176.4 (2)
O1—Cd1—N1—C1	31.6 (2)	C6—C7—C11—C12	4.0 (4)
O2—Cd1—N1—C1	86.4 (2)	C1—N1—C12—C4	0.7 (3)
C13—Cd1—N1—C1	59.0 (2)	Cd1—N1—C12—C4	179.14 (17)
O4ⁱ—Cd1—N1—C12	122.60 (16)	C1—N1—C12—C11	−177.1 (2)
N2—Cd1—N1—C12	−0.16 (15)	Cd1—N1—C12—C11	1.4 (2)
O3ⁱⁱ—Cd1—N1—C12	14.1 (3)	C3—C4—C12—N1	−0.7 (3)
O1—Cd1—N1—C12	−146.67 (16)	C5—C4—C12—N1	−179.6 (2)
O2—Cd1—N1—C12	−91.92 (16)	C3—C4—C12—C11	177.0 (2)
C13—Cd1—N1—C12	−119.29 (16)	C5—C4—C12—C11	−1.9 (3)
O4ⁱ—Cd1—N2—C10	87.7 (2)	N2—C11—C12—N1	−2.5 (3)
O3ⁱⁱ—Cd1—N2—C10	10.37 (19)	C7—C11—C12—N1	176.1 (2)
N1—Cd1—N2—C10	−175.0 (2)	N2—C11—C12—C4	179.7 (2)
O1—Cd1—N2—C10	−110.2 (2)	C7—C11—C12—C4	−1.7 (3)
O2—Cd1—N2—C10	−83.33 (19)	Cd1—O2—C13—O1	−0.9 (2)
C13—Cd1—N2—C10	−93.70 (19)	Cd1—O2—C13—C14	179.21 (18)
O4ⁱ—Cd1—N2—C11	−98.38 (16)	Cd1—O1—C13—O2	0.9 (3)
O3ⁱⁱ—Cd1—N2—C11	−175.73 (16)	Cd1—O1—C13—C14	−179.17 (17)
N1—Cd1—N2—C11	−1.15 (15)	O4ⁱ—Cd1—C13—O2	−158.30 (13)
O1—Cd1—N2—C11	63.7 (2)	N2—Cd1—C13—O2	23.00 (15)
O2—Cd1—N2—C11	90.56 (15)	O3ⁱⁱ—Cd1—C13—O2	−70.25 (14)
C13—Cd1—N2—C11	80.20 (16)	N1—Cd1—C13—O2	93.15 (14)
C12—N1—C1—C2	−0.3 (4)	O1—Cd1—C13—O2	−179.2 (2)
Cd1—N1—C1—C2	−178.5 (2)	O4ⁱ—Cd1—C13—O1	20.85 (17)
N1—C1—C2—C3	−0.1 (4)	N2—Cd1—C13—O1	−157.85 (14)
C1—C2—C3—C4	0.1 (4)	O3ⁱⁱ—Cd1—C13—O1	108.90 (15)
C2—C3—C4—C12	0.3 (4)	N1—Cd1—C13—O1	−87.69 (15)
C2—C3—C4—C5	179.2 (3)	O2—Cd1—C13—O1	179.2 (2)
C12—C4—C5—C6	3.4 (4)	Cd1ⁱⁱⁱ—O4—C16—O3	13.0 (4)
C3—C4—C5—C6	−175.5 (3)	Cd1ⁱⁱⁱ—O4—C16—C15	−162.39 (16)
C4—C5—C6—C7	−1.1 (5)	Cd1ⁱⁱ—O3—C16—O4	149.4 (2)
C5—C6—C7—C11	−2.6 (4)	Cd1ⁱⁱ—O3—C16—C15	−35.3 (3)
C5—C6—C7—C8	177.8 (3)

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

Experimental details

Crystal data
Chemical formula	[Cd(C₄O₄)(C₁₀H₈N₂)]
M_r	404.64
Crystal system, space group	Monoclinic, P2₁/c
Temperature (K)	293
a, b, c (Å)	9.6365 (19), 17.140 (3), 8.4144 (17)
β (°)	90.68 (3)
V (Å³)	1389.7 (5)
Z	4
Radiation type	Mo Kα
µ (mm⁻¹)	1.59
Crystal size (mm)	0.34 × 0.24 × 0.20

Data collection
Diffractometer	Rigaku RAXIS-RAPID diffractometer
Absorption correction	Multi-scan (ABSCOR; Higashi, 1995)
T_min, T_max	0.613, 0.741
No. of measured, independent and observed [I > 2σ(I)] reflections	13389, 3168, 2913
R_int	0.018
(sin θ/λ)_max (Å⁻¹)	0.648

Refinement
R[F² > 2σ(F²)], wR(F²), S	0.023, 0.058, 1.12
No. of reflections	3168
No. of parameters	208
H-atom treatment	H-atom parameters constrained
Δρ_max, Δρ_min (e Å⁻³)	0.68, −0.28

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

Selected geometric parameters (Å, º) top

Cd1—O4ⁱ	2.2219 (17)	Cd1—N1	2.339 (2)
Cd1—N2	2.3052 (19)	Cd1—O1	2.3386 (18)
Cd1—O3ⁱⁱ	2.3227 (18)	Cd1—O2	2.4520 (18)

O4ⁱ—Cd1—N2	125.44 (7)	O3ⁱⁱ—Cd1—O1	111.25 (7)
O4ⁱ—Cd1—O3ⁱⁱ	81.99 (7)	N1—Cd1—O1	89.86 (7)
N2—Cd1—O3ⁱⁱ	86.18 (7)	O4ⁱ—Cd1—O2	141.24 (6)
O4ⁱ—Cd1—N1	106.04 (7)	N2—Cd1—O2	92.40 (6)
N2—Cd1—N1	72.05 (7)	O3ⁱⁱ—Cd1—O2	93.85 (6)
O3ⁱⁱ—Cd1—N1	157.58 (7)	N1—Cd1—O2	92.37 (6)
O4ⁱ—Cd1—O1	90.75 (7)	O1—Cd1—O2	54.79 (6)
N2—Cd1—O1	142.43 (6)

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

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Poly[(μ3-acetyl­enedicarboxyl­ato-κ4O,O′:O′′:O′′′)(1,10-phenanthroline-κ2N,N′)cadmium(II)]

Supporting information

Key indicators

checkCIF/PLATON results

Poly[(μ₃-acetylenedicarboxylato-κ⁴O,O′:O′′:O′′′)(1,10-phenanthroline-κ²N,N′)cadmium(II)]