catena-Poly[[aqua­(1,10-phenanthroline)cobalt(II)]-μ-4,4′-(propane-1,3-diyldi­oxy)dibenzoato]

Shen, S.-M.

doi:10.1107/S1600536809035089

metal-organic compounds

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ISSN: 2056-9890

Volume 65| Part 10| October 2009| Page m1164

doi:10.1107/S1600536809035089

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catena-Poly[[aqua(1,10-phenanthroline)cobalt(II)]-μ-4,4′-(propane-1,3-diyldioxy)dibenzoato]

Su-Mei Shen ^a ^*

^aDepartment of Applied Engineering, Zhejiang Economic and Trade Polytechnic, 310018 Hangzhou, People's Republic of China
^*Correspondence e-mail: zjssm01@126.com

(Received 31 August 2009; accepted 1 September 2009; online 5 September 2009)

In the title compound, [Co(C₁₇H₁₄O₆)(C₁₂H₈N₂)(H₂O)]_n, the Co^II atom is coordinated by a monodentate 4,4′-(propane-1,3-diyldioxy)dibenzoate (cpp) dianion, a water molecule and a chelating 1,10-phenanthroline (phen) ligand. A symmetry-generated cpp ligand completes the CoN₂O₃ trigonal-bipyramidal geometry for the metal ion, with the N atoms occupying both equatorial and axial sites. The bridging cpp ligands form chains propagating in [110] and O—H⋯O hydrogen bonds consolidate the packing.

Related literature

For a related structure, see: Chen & Liu (2002 ). For background to metal-organic frameworks, see: Kitagawa et al. (2004 ); Liu et al. (2009 ); Schokecht & Kempe (2004 ).

Experimental

Crystal data

[Co(C₁₇H₁₄O₆)(C₁₂H₈N₂)(H₂O)]
M_r = 571.43
Triclinic, $[P \overline 1]$
a = 8.5967 (17) Å
b = 11.432 (2) Å
c = 14.423 (3) Å
α = 68.433 (3)°
β = 87.673 (4)°
γ = 74.635 (4)°
V = 1268.5 (4) Å³
Z = 2
Mo Kα radiation
μ = 0.73 mm⁻¹
T = 298 K
0.23 × 0.14 × 0.11 mm

Data collection

Bruker APEXII area-detector diffractometer
Absorption correction: multi-scan (SADABS; Bruker, 2005 ) T_min = 0.850, T_max = 0.924
6503 measured reflections
4499 independent reflections
2242 reflections with I > 2σ(I)
R_int = 0.032

Refinement

R[F² > 2σ(F²)] = 0.039
wR(F²) = 0.063
S = 0.91
4499 reflections
358 parameters
3 restraints
H atoms treated by a mixture of independent and constrained refinement
Δρ_max = 0.19 e Å⁻³
Δρ_min = −0.21 e Å⁻³

Table 1
Hydrogen-bond geometry (Å, °)

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
O1W—H1WB⋯O2ⁱ	0.885 (15)	1.847 (16)	2.729 (3)	175 (3)
O1W—H1WA⋯O5ⁱⁱ	0.885 (17)	1.804 (17)	2.657 (3)	161 (3)
Symmetry codes: (i) -x+1, -y, -z+1; (ii) x-1, y-1, z.

Data collection: APEX2 (Bruker, 2005); cell refinement: SAINT (Bruker, 2005); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008 ); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: ORTEPIII (Burnett & Johnson, 1996 ), ORTEP-3 for Windows (Farrugia, 1997 ) and PLATON (Spek, 2009 ); software used to prepare material for publication: SHELXL97.

Supporting information

Crystal structure: contains datablocks I, global. DOI: 10.1107/S1600536809035089/hb5085sup1.cif

Structure factors: contains datablock I. DOI: 10.1107/S1600536809035089/hb5085Isup2.hkl

checkCIF report

Comment top

Design of effective ligands and the proper choice of metal centers are the keys to design and construct novel metal-organic frameworks (Kitagawa et al., 2004; Schokecht & Kempe, 2004). Polycarboxylate ligands have received considerable attention, owing to the variety of their coordination modes and structural features. 4,4'-(propane-1,3-diyldioxy)dibenzoic acid (H₂cpp) is a potential multi-dentate ligand with a versatile coordination mode, which has been used in self-asssembled porous coordination synthesis (Liu et al., 2009).

The title compound, (I), was constructed by two kinds of bridging and chelating ligands under mild condition, H₂cpp and phen which were self-assembled to a one-dimensional neutral metal-organic compound. In this paper, the crystal structure of (I) is presented.

As illustrated in Fig. 1, Co^II adopts a trigonal bispyramidal geometry, generated by three O atoms from two adjacent monodenated-chelating carboxylate groups and one coordinated water molecule, and two N atoms from one chelating phen ligand. The three atoms (O1, O1W and N3) in the basical plane around the Co atom, while the other two atoms (O6 and N4) locate at apical positions. The twist angle of two rings of cpp ligand is 96.8 (5)°.

The neighboring Co atoms are linked by cp ligands forming a one-dimensional chain running along a axis (Fig. 2). These chains are decorated with phen ligands alternating on two sides, which is similar with some complexes (Chen & Liu, 2002) There are no π-π interactions between rings of phen ligands due to its transplacement arrangement.

In the crystal structure, strong intermolecular O-H···O hydrogen bonds (Table 1) link the molecules into a 2D network, in which they may be effective in the stabilization of the structure.

Related literature top

For a related structure, see: Chen & Liu (2002). For background to metal-organic frameworks, see: Kitagawa et al. (2004); Liu et al. (2009); Schokecht & Kempe (2004).

Experimental top

The followinf quantities were mixed: (23 mg, 0.1 mmol)) Co(NO₃)₂ of water solution (5 ml) and H₂CP (26 mg, 0.1 mmol), phen (0.19 mg, 0.1 mmol) and NaOH (3.8 mg, 0.09 mmol), CH₃CN (5 ml) and heated to at 428 K for 60 h in a pressurized reactor. Slow evaporation of this solution resulted in the formation of some pink blocks of (I).

Computing details top

Data collection: APEX2 (Bruker, 2005); cell refinement: SAINT (Bruker, 2005); data reduction: SAINT (Bruker, 2005); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: ORTEPIII (Burnett & Johnson, 1996), ORTEP-3 for Windows (Farrugia, 1997) and PLATON (Spek, 2009); software used to prepare material for publication: SHELXL97 (Sheldrick, 2008).

Figures top

	Fig. 1. View of a fragment of (I). Ellipsoids are drawn at the the 30% probability level. H atomsare shown as spheres of arbitrary radii. [symmetry codes: (i) x-1, y-1, z; (ii) 1+x, y+1, 3+z]
	Fig. 2. Partial packing of (I) showing the formation of a chain along c axis.

catena-Poly[[aqua(1,10-phenanthroline)cobalt(II)]-µ-4,4'-(propane- 1,3-diyldioxy)dibenzoato] top

Crystal data top

[Co(C₁₇H₁₄O₆)(C₁₂H₈N₂)(H₂O)]	Z = 2
M_r = 571.43	F(000) = 590
Triclinic, P1	D_x = 1.496 Mg m⁻³
Hall symbol: -P 1	Mo Kα radiation, λ = 0.71073 Å
a = 8.5967 (17) Å	Cell parameters from 4499 reflections
b = 11.432 (2) Å	θ = 1.5–25.2°
c = 14.423 (3) Å	µ = 0.73 mm⁻¹
α = 68.433 (3)°	T = 298 K
β = 87.673 (4)°	Block, pink
γ = 74.635 (4)°	0.23 × 0.14 × 0.11 mm
V = 1268.5 (4) Å³

Data collection top

Bruker APEXII area-detector diffractometer	4499 independent reflections
Radiation source: fine-focus sealed tube	2242 reflections with I > 2σ(I)
Graphite monochromator	R_int = 0.032
ϕ and ω scans	θ_max = 25.2°, θ_min = 1.5°
Absorption correction: multi-scan (SADABS; Bruker, 2005)	h = −10→8
T_min = 0.850, T_max = 0.924	k = −11→13
6503 measured reflections	l = −17→17

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) = 0.063	H atoms treated by a mixture of independent and constrained refinement
S = 0.91	w = 1/[σ²(F_o²) + (0.01P)² + 0.001P] where P = (F_o² + 2F_c²)/3
4499 reflections	(Δ/σ)_max < 0.001
358 parameters	Δρ_max = 0.19 e Å⁻³
3 restraints	Δρ_min = −0.21 e Å⁻³

Crystal data top

[Co(C₁₇H₁₄O₆)(C₁₂H₈N₂)(H₂O)]	γ = 74.635 (4)°
M_r = 571.43	V = 1268.5 (4) Å³
Triclinic, P1	Z = 2
a = 8.5967 (17) Å	Mo Kα radiation
b = 11.432 (2) Å	µ = 0.73 mm⁻¹
c = 14.423 (3) Å	T = 298 K
α = 68.433 (3)°	0.23 × 0.14 × 0.11 mm
β = 87.673 (4)°

Data collection top

Bruker APEXII area-detector diffractometer	4499 independent reflections
Absorption correction: multi-scan (SADABS; Bruker, 2005)	2242 reflections with I > 2σ(I)
T_min = 0.850, T_max = 0.924	R_int = 0.032
6503 measured reflections

Refinement top

R[F² > 2σ(F²)] = 0.039	3 restraints
wR(F²) = 0.063	H atoms treated by a mixture of independent and constrained refinement
S = 0.91	Δρ_max = 0.19 e Å⁻³
4499 reflections	Δρ_min = −0.21 e Å⁻³
358 parameters

Special details top

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. 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 > 2sigma(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
Co1	0.63053 (6)	−0.14519 (4)	0.37254 (3)	0.04796 (15)
O1	0.6918 (3)	0.01199 (17)	0.26875 (13)	0.0552 (6)
O2	0.5285 (3)	0.08365 (17)	0.36879 (14)	0.0568 (6)
O6	1.4634 (3)	0.84914 (19)	0.28126 (14)	0.0557 (6)
O5	1.2435 (3)	0.91935 (18)	0.35373 (14)	0.0599 (6)
O3	0.6256 (3)	0.62108 (18)	0.06262 (15)	0.0663 (7)
O4	0.9367 (3)	0.79789 (19)	0.01759 (15)	0.0645 (7)
O1W	0.4880 (3)	−0.19495 (18)	0.49172 (15)	0.0547 (6)
N3	0.8001 (3)	−0.2965 (2)	0.34395 (17)	0.0459 (7)
N4	0.8312 (3)	−0.1855 (2)	0.47342 (16)	0.0479 (7)
C5	0.6272 (4)	0.4931 (3)	0.1143 (2)	0.0478 (9)
C15	1.2806 (4)	0.8073 (2)	0.14796 (19)	0.0446 (8)
H15	1.3926	0.7800	0.1481	0.053*
C2	0.6156 (4)	0.2400 (3)	0.23088 (19)	0.0372 (8)
C17	1.3121 (5)	0.8825 (3)	0.2871 (2)	0.0442 (9)
C14	1.2101 (4)	0.8686 (2)	0.21218 (19)	0.0388 (8)
C11	1.0202 (5)	0.8281 (3)	0.0810 (2)	0.0466 (9)
C22	0.9490 (4)	−0.3320 (3)	0.3897 (2)	0.0431 (8)
C1	0.6105 (4)	0.1044 (3)	0.2937 (2)	0.0449 (9)
C16	1.1861 (5)	0.7864 (3)	0.0841 (2)	0.0513 (9)
H16	1.2349	0.7435	0.0424	0.062*
C13	1.0445 (4)	0.9135 (2)	0.2059 (2)	0.0428 (8)
H13	0.9959	0.9574	0.2469	0.051*
C23	0.9660 (4)	−0.2726 (3)	0.4596 (2)	0.0427 (8)
C20	1.0562 (5)	−0.4759 (3)	0.3037 (2)	0.0574 (10)
H20	1.1410	−0.5348	0.2888	0.069*
C12	0.9468 (4)	0.8959 (2)	0.1406 (2)	0.0462 (8)
H12	0.8350	0.9287	0.1370	0.055*
C7	0.7238 (4)	0.2625 (3)	0.1578 (2)	0.0491 (9)
H7	0.7939	0.1918	0.1473	0.059*
C18	0.7807 (4)	−0.3527 (3)	0.2806 (2)	0.0516 (9)
H18	0.6787	−0.3314	0.2498	0.062*
C4	0.5183 (4)	0.4717 (3)	0.1876 (2)	0.0517 (9)
H4	0.4480	0.5422	0.1983	0.062*
C6	0.7314 (4)	0.3883 (3)	0.0993 (2)	0.0536 (10)
H6	0.8061	0.4013	0.0506	0.064*
C3	0.5132 (4)	0.3464 (3)	0.2450 (2)	0.0473 (9)
H3	0.4393	0.3334	0.2941	0.057*
C21	1.0827 (4)	−0.4225 (3)	0.3726 (2)	0.0454 (8)
C29	0.8459 (4)	−0.1330 (3)	0.5391 (2)	0.0566 (10)
H29	0.7556	−0.0737	0.5489	0.068*
C26	1.1150 (4)	−0.3060 (3)	0.5110 (2)	0.0494 (9)
C24	1.2331 (4)	−0.4527 (3)	0.4262 (2)	0.0606 (10)
H24	1.3225	−0.5120	0.4154	0.073*
C9	0.7016 (4)	0.7961 (3)	−0.0633 (2)	0.0729 (12)
H9A	0.5869	0.8383	−0.0787	0.088*
H9B	0.7551	0.8191	−0.1255	0.088*
C19	0.9069 (5)	−0.4420 (3)	0.2586 (2)	0.0596 (10)
H19	0.8888	−0.4781	0.2132	0.072*
C8	0.7272 (4)	0.6493 (3)	−0.0194 (2)	0.0680 (11)
H8A	0.6989	0.6191	−0.0695	0.082*
H8B	0.8396	0.6056	0.0035	0.082*
C27	1.1243 (4)	−0.2470 (3)	0.5802 (2)	0.0615 (10)
H27	1.2213	−0.2661	0.6159	0.074*
C28	0.9895 (5)	−0.1616 (3)	0.5944 (2)	0.0635 (10)
H28	0.9935	−0.1229	0.6405	0.076*
C25	1.2484 (4)	−0.3972 (3)	0.4922 (2)	0.0581 (9)
H25	1.3481	−0.4189	0.5259	0.070*
C10	0.7656 (5)	0.8476 (3)	0.0062 (2)	0.0634 (10)
H10A	0.7359	0.9423	−0.0217	0.076*
H10B	0.7196	0.8195	0.0706	0.076*
H1WA	0.399 (3)	−0.145 (3)	0.453 (2)	0.095*
H1WB	0.482 (4)	−0.163 (3)	0.5397 (16)	0.095*

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
Co1	0.0490 (4)	0.0497 (3)	0.0462 (3)	−0.0154 (2)	−0.0012 (2)	−0.0169 (2)
O1	0.0598 (18)	0.0395 (13)	0.0671 (15)	−0.0094 (11)	0.0061 (12)	−0.0235 (11)
O2	0.072 (2)	0.0588 (14)	0.0454 (14)	−0.0295 (12)	0.0080 (12)	−0.0181 (11)
O6	0.0438 (18)	0.0788 (16)	0.0523 (14)	−0.0163 (13)	−0.0046 (13)	−0.0324 (12)
O5	0.0539 (18)	0.0800 (16)	0.0604 (15)	−0.0118 (12)	−0.0031 (12)	−0.0462 (13)
O3	0.085 (2)	0.0444 (14)	0.0696 (16)	−0.0252 (13)	−0.0050 (14)	−0.0151 (12)
O4	0.079 (2)	0.0670 (15)	0.0612 (15)	−0.0276 (15)	−0.0163 (14)	−0.0321 (12)
O1W	0.064 (2)	0.0617 (15)	0.0437 (14)	−0.0218 (12)	0.0013 (11)	−0.0222 (12)
N3	0.053 (2)	0.0458 (16)	0.0438 (16)	−0.0165 (14)	−0.0043 (15)	−0.0190 (13)
N4	0.057 (2)	0.0510 (16)	0.0426 (16)	−0.0185 (15)	−0.0054 (14)	−0.0218 (13)
C5	0.062 (3)	0.036 (2)	0.047 (2)	−0.0167 (19)	−0.0113 (19)	−0.0136 (17)
C15	0.048 (3)	0.0424 (18)	0.0453 (19)	−0.0145 (16)	0.0018 (18)	−0.0170 (16)
C2	0.044 (2)	0.0402 (19)	0.0331 (18)	−0.0136 (17)	−0.0008 (16)	−0.0176 (15)
C17	0.053 (3)	0.0387 (19)	0.043 (2)	−0.0141 (18)	0.000 (2)	−0.0160 (16)
C14	0.051 (3)	0.0331 (17)	0.0341 (18)	−0.0136 (17)	0.0003 (17)	−0.0125 (14)
C11	0.063 (3)	0.0393 (19)	0.042 (2)	−0.0215 (19)	−0.0062 (19)	−0.0131 (16)
C22	0.049 (3)	0.0407 (19)	0.040 (2)	−0.0205 (18)	0.0011 (18)	−0.0100 (16)
C1	0.048 (3)	0.045 (2)	0.048 (2)	−0.0173 (18)	−0.0128 (18)	−0.0192 (18)
C16	0.061 (3)	0.049 (2)	0.052 (2)	−0.012 (2)	0.001 (2)	−0.0296 (17)
C13	0.049 (3)	0.0384 (18)	0.045 (2)	−0.0107 (17)	0.0005 (18)	−0.0202 (15)
C23	0.045 (3)	0.046 (2)	0.038 (2)	−0.0179 (18)	−0.0025 (18)	−0.0128 (16)
C20	0.060 (3)	0.052 (2)	0.058 (2)	−0.008 (2)	0.001 (2)	−0.0235 (18)
C12	0.047 (3)	0.0418 (19)	0.049 (2)	−0.0120 (16)	−0.0071 (18)	−0.0146 (16)
C7	0.067 (3)	0.043 (2)	0.047 (2)	−0.0169 (18)	0.0029 (19)	−0.0259 (17)
C18	0.063 (3)	0.051 (2)	0.046 (2)	−0.0232 (19)	−0.0024 (18)	−0.0167 (17)
C4	0.049 (3)	0.040 (2)	0.067 (2)	−0.0037 (17)	−0.0044 (19)	−0.0248 (18)
C6	0.080 (3)	0.049 (2)	0.043 (2)	−0.030 (2)	0.0109 (19)	−0.0209 (17)
C3	0.047 (3)	0.048 (2)	0.047 (2)	−0.0140 (18)	−0.0013 (17)	−0.0169 (17)
C21	0.045 (3)	0.044 (2)	0.048 (2)	−0.0119 (18)	0.0055 (19)	−0.0169 (16)
C29	0.062 (3)	0.056 (2)	0.059 (2)	−0.0123 (19)	−0.003 (2)	−0.0311 (18)
C26	0.044 (3)	0.048 (2)	0.056 (2)	−0.0140 (18)	−0.0012 (19)	−0.0179 (17)
C24	0.048 (3)	0.051 (2)	0.078 (3)	−0.0065 (18)	0.001 (2)	−0.0237 (19)
C9	0.110 (4)	0.060 (2)	0.051 (2)	−0.047 (2)	−0.029 (2)	−0.0032 (18)
C19	0.071 (3)	0.060 (2)	0.056 (2)	−0.016 (2)	−0.001 (2)	−0.0324 (19)
C8	0.107 (4)	0.056 (2)	0.051 (2)	−0.044 (2)	−0.010 (2)	−0.0138 (18)
C27	0.062 (3)	0.071 (2)	0.059 (2)	−0.025 (2)	−0.015 (2)	−0.024 (2)
C28	0.061 (3)	0.071 (3)	0.070 (3)	−0.016 (2)	−0.015 (2)	−0.040 (2)
C25	0.042 (3)	0.062 (2)	0.071 (2)	−0.0132 (19)	−0.0098 (19)	−0.024 (2)
C10	0.082 (4)	0.050 (2)	0.055 (2)	−0.026 (2)	−0.023 (2)	−0.0072 (17)

Geometric parameters (Å, º) top

Co1—O6ⁱ	2.017 (2)	C13—C12	1.387 (4)
Co1—O1	2.0511 (17)	C13—H13	0.9300
Co1—O1W	2.063 (2)	C23—C26	1.395 (4)
Co1—N3	2.104 (2)	C20—C19	1.357 (4)
Co1—N4	2.143 (2)	C20—C21	1.396 (4)
O1—C1	1.265 (3)	C20—H20	0.9300
O2—C1	1.251 (3)	C12—H12	0.9300
O6—C17	1.263 (3)	C7—C6	1.392 (3)
O6—Co1ⁱⁱ	2.017 (2)	C7—H7	0.9300
O5—C17	1.253 (3)	C18—C19	1.394 (4)
O3—C5	1.373 (3)	C18—H18	0.9300
O3—C8	1.432 (3)	C4—C3	1.377 (3)
O4—C11	1.374 (3)	C4—H4	0.9300
O4—C10	1.421 (4)	C6—H6	0.9300
O1W—H1WA	0.885 (17)	C3—H3	0.9300
O1W—H1WB	0.885 (15)	C21—C24	1.427 (4)
N3—C18	1.332 (3)	C29—C28	1.393 (4)
N3—C22	1.354 (4)	C29—H29	0.9300
N4—C29	1.319 (3)	C26—C27	1.409 (3)
N4—C23	1.374 (3)	C26—C25	1.423 (4)
C5—C6	1.375 (4)	C24—C25	1.352 (3)
C5—C4	1.381 (3)	C24—H24	0.9300
C15—C16	1.376 (4)	C9—C8	1.517 (3)
C15—C14	1.387 (3)	C9—C10	1.518 (3)
C15—H15	0.9300	C9—H9A	0.9700
C2—C7	1.374 (3)	C9—H9B	0.9700
C2—C3	1.376 (3)	C19—H19	0.9300
C2—C1	1.493 (3)	C8—H8A	0.9700
C17—C14	1.496 (4)	C8—H8B	0.9700
C14—C13	1.374 (4)	C27—C28	1.366 (4)
C11—C16	1.375 (4)	C27—H27	0.9300
C11—C12	1.388 (3)	C28—H28	0.9300
C22—C21	1.409 (4)	C25—H25	0.9300
C22—C23	1.439 (3)	C10—H10A	0.9700
C16—H16	0.9300	C10—H10B	0.9700

O6ⁱ—Co1—O1	95.13 (8)	C13—C12—H12	120.9
O6ⁱ—Co1—O1W	90.40 (9)	C11—C12—H12	120.9
O1—Co1—O1W	142.18 (7)	C2—C7—C6	121.8 (3)
O6ⁱ—Co1—N3	90.17 (10)	C2—C7—H7	119.1
O1—Co1—N3	99.18 (8)	C6—C7—H7	119.1
O1W—Co1—N3	118.22 (8)	N3—C18—C19	122.8 (3)
O6ⁱ—Co1—N4	166.69 (9)	N3—C18—H18	118.6
O1—Co1—N4	92.61 (8)	C19—C18—H18	118.6
O1W—Co1—N4	90.10 (9)	C3—C4—C5	120.3 (3)
N3—Co1—N4	77.90 (10)	C3—C4—H4	119.8
C1—O1—Co1	101.40 (18)	C5—C4—H4	119.8
C17—O6—Co1ⁱⁱ	125.76 (19)	C5—C6—C7	119.2 (3)
C5—O3—C8	118.2 (2)	C5—C6—H6	120.4
C11—O4—C10	118.3 (2)	C7—C6—H6	120.4
Co1—O1W—H1WA	91 (2)	C2—C3—C4	121.2 (3)
Co1—O1W—H1WB	122.6 (19)	C2—C3—H3	119.4
H1WA—O1W—H1WB	103 (2)	C4—C3—H3	119.4
C18—N3—C22	117.3 (3)	C20—C21—C22	116.5 (3)
C18—N3—Co1	127.3 (2)	C20—C21—C24	125.1 (3)
C22—N3—Co1	115.16 (19)	C22—C21—C24	118.3 (3)
C29—N4—C23	117.4 (3)	N4—C29—C28	123.5 (3)
C29—N4—Co1	129.9 (2)	N4—C29—H29	118.3
C23—N4—Co1	112.55 (19)	C28—C29—H29	118.3
O3—C5—C6	124.4 (3)	C23—C26—C27	117.3 (3)
O3—C5—C4	116.0 (3)	C23—C26—C25	119.3 (3)
C6—C5—C4	119.5 (3)	C27—C26—C25	123.4 (4)
C16—C15—C14	120.5 (3)	C25—C24—C21	121.4 (3)
C16—C15—H15	119.8	C25—C24—H24	119.3
C14—C15—H15	119.8	C21—C24—H24	119.3
C7—C2—C3	118.0 (3)	C8—C9—C10	113.0 (2)
C7—C2—C1	121.0 (3)	C8—C9—H9A	109.0
C3—C2—C1	121.0 (3)	C10—C9—H9A	109.0
O5—C17—O6	124.6 (3)	C8—C9—H9B	109.0
O5—C17—C14	118.5 (3)	C10—C9—H9B	109.0
O6—C17—C14	116.8 (3)	H9A—C9—H9B	107.8
C13—C14—C15	117.9 (3)	C20—C19—C18	119.7 (3)
C13—C14—C17	121.5 (3)	C20—C19—H19	120.2
C15—C14—C17	120.6 (3)	C18—C19—H19	120.2
O4—C11—C16	116.4 (3)	O3—C8—C9	107.4 (3)
O4—C11—C12	123.8 (3)	O3—C8—H8A	110.2
C16—C11—C12	119.8 (3)	C9—C8—H8A	110.2
N3—C22—C21	123.7 (3)	O3—C8—H8B	110.2
N3—C22—C23	116.3 (3)	C9—C8—H8B	110.2
C21—C22—C23	120.1 (3)	H8A—C8—H8B	108.5
O2—C1—O1	121.5 (3)	C28—C27—C26	119.4 (3)
O2—C1—C2	120.5 (3)	C28—C27—H27	120.3
O1—C1—C2	118.0 (3)	C26—C27—H27	120.3
C11—C16—C15	120.9 (3)	C27—C28—C29	119.3 (3)
C11—C16—H16	119.6	C27—C28—H28	120.3
C15—C16—H16	119.6	C29—C28—H28	120.3
C14—C13—C12	122.6 (3)	C24—C25—C26	121.3 (3)
C14—C13—H13	118.7	C24—C25—H25	119.4
C12—C13—H13	118.7	C26—C25—H25	119.4
N4—C23—C26	123.0 (3)	O4—C10—C9	108.3 (3)
N4—C23—C22	117.4 (3)	O4—C10—H10A	110.0
C26—C23—C22	119.6 (3)	C9—C10—H10A	110.0
C19—C20—C21	120.1 (3)	O4—C10—H10B	110.0
C19—C20—H20	120.0	C9—C10—H10B	110.0
C21—C20—H20	120.0	H10A—C10—H10B	108.4
C13—C12—C11	118.2 (3)

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

Hydrogen-bond geometry (Å, º) top

D—H···A	D—H	H···A	D···A	D—H···A
O1W—H1WB···O2ⁱⁱⁱ	0.89 (2)	1.85 (2)	2.729 (3)	175 (3)
O1W—H1WA···O5ⁱ	0.89 (2)	1.80 (2)	2.657 (3)	161 (3)

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

Experimental details

Crystal data
Chemical formula	[Co(C₁₇H₁₄O₆)(C₁₂H₈N₂)(H₂O)]
M_r	571.43
Crystal system, space group	Triclinic, P1
Temperature (K)	298
a, b, c (Å)	8.5967 (17), 11.432 (2), 14.423 (3)
α, β, γ (°)	68.433 (3), 87.673 (4), 74.635 (4)
V (Å³)	1268.5 (4)
Z	2
Radiation type	Mo Kα
µ (mm⁻¹)	0.73
Crystal size (mm)	0.23 × 0.14 × 0.11

Data collection
Diffractometer	Bruker APEXII area-detector diffractometer
Absorption correction	Multi-scan (SADABS; Bruker, 2005)
T_min, T_max	0.850, 0.924
No. of measured, independent and observed [I > 2σ(I)] reflections	6503, 4499, 2242
R_int	0.032
(sin θ/λ)_max (Å⁻¹)	0.599

Refinement
R[F² > 2σ(F²)], wR(F²), S	0.039, 0.063, 0.91
No. of reflections	4499
No. of parameters	358
No. of restraints	3
H-atom treatment	H atoms treated by a mixture of independent and constrained refinement
Δρ_max, Δρ_min (e Å⁻³)	0.19, −0.21

Computer programs: APEX2 (Bruker, 2005), SAINT (Bruker, 2005), SHELXS97 (Sheldrick, 2008), SHELXL97 (Sheldrick, 2008), ORTEPIII (Burnett & Johnson, 1996), ORTEP-3 for Windows (Farrugia, 1997) and PLATON (Spek, 2009).

Hydrogen-bond geometry (Å, º) top

D—H···A	D—H	H···A	D···A	D—H···A
O1W—H1WB···O2ⁱ	0.885 (15)	1.847 (16)	2.729 (3)	175 (3)
O1W—H1WA···O5ⁱⁱ	0.885 (17)	1.804 (17)	2.657 (3)	161 (3)

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

Acknowledgements

The authors are grateful to the Zhejiang Economic and Trade Polytechnic for financial support.

References

Bruker (2005). APEX2, SAINT and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA. Google Scholar
Burnett, M. N. & Johnson, C. K. (1996). ORTEPIII. Report ORNL-6895. Oak Ridge National Laboratory, Tennessee, USA. Google Scholar
Chen, X. M. & Liu, G. F. (2002). Chem. Eur. J. 8, 4811–4817. CrossRef PubMed CAS Google Scholar
Farrugia, L. J. (1997). J. Appl. Cryst. 30, 565. CrossRef IUCr Journals Google Scholar
Kitagawa, S., Kitaura, R. & Noro, S. (2004). Angew. Chem. Int. Ed. 43, 2334–2375. Web of Science CrossRef CAS Google Scholar
Liu, J. Q., Wang, Y. Y., Liu, P., Dong, Z., Shi, Q. Z. & Batten, S. R. (2009). CrystEngComm, 11, 1207–1209. Web of Science CSD CrossRef CAS Google Scholar
Schokecht, B. & Kempe, R. (2004). Z. Anorg. Allg. Chem. 630, 1377–1379. Google Scholar
Sheldrick, G. M. (2008). Acta Cryst. A64, 112–122. Web of Science CrossRef CAS IUCr Journals Google Scholar
Spek, A. L. (2009). Acta Cryst. D65, 148–155. Web of Science CrossRef CAS IUCr Journals Google Scholar

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Volume 65| Part 10| October 2009| Page m1164

doi:10.1107/S1600536809035089

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metal-organic compounds\(\def\hfill{\hskip 5em}\def\hfil{\hskip 3em}\def\eqno#1{\hfil {#1}}\)

catena-Poly[[aqua­(1,10-phenanthroline)cobalt(II)]-μ-4,4′-(propane-1,3-diyldi­­oxy)dibenzoato]

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Experimental

Crystal data

Data collection

Refinement

Supporting information

Acknowledgements

References

metal-organic compounds

catena-Poly[[aqua(1,10-phenanthroline)cobalt(II)]-μ-4,4′-(propane-1,3-diyldioxy)dibenzoato]