A two-dimensional grid-like cobalt^II coordination polymer: poly[[diaquacobalt(II)]-di-μ₂-naphthalene-1-acetato]

In the title compound, [Co(C₁₂H₉O₂)₂(H₂O)₂]_n, the Co^II atom lies on an inversion centre and has a slightly distorted octa­hedral coordination environment involving four carboxylate and two water O atoms. In the crystal structure, each naphthalene­acetate ligand coordinates two metal centres through its carboxyl­ate O atoms, adopting a bis-monodentate mode to give rise to a two-dimensional network. A three-dimensional supra­molecular network is consolidated by inter­molecular O—H...O hydrogen bonds.

Key indicators

• Single-crystal X-ray study
• T = 273 K
• Mean [sigma](C-C) = 0.005 Å
• R factor = 0.052
• wR factor = 0.159
• Data-to-parameter ratio = 15.8

checkCIF/PLATON results

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Computing details

Data collection: SMART (Bruker, 2004); cell refinement: SAINT (Bruker, 2004); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: SHELXTL (Bruker, 2002); software used to prepare material for publication: SHELXL97.

poly[[diaquacobalt(II)]-di-µ₂-naphthalene-1-acetato]

Crystal data

[Co(C12H9O2)2(H2O)2]	F(000) = 964
Mr = 465.35	Dx = 1.566 Mg m^−3
Monoclinic, C2/c	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -C 2yc	Cell parameters from 6115 reflections
a = 36.954 (5) Å	θ = 1.1–27.5°
b = 6.1913 (10) Å	µ = 0.91 mm^−1
c = 8.7464 (13) Å	T = 273 K
β = 99.524 (9)°	Block, pink
V = 1973.5 (5) Å^3	0.31 × 0.26 × 0.18 mm
Z = 4

Data collection

Bruker P4 diffractometer	2238 independent reflections
Radiation source: fine-focus sealed tube	1628 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.043
Detector resolution: 10 pixels mm^-1	θmax = 27.5°, θmin = 1.1°
ω scans	h = −37→47
Absorption correction: empirical (using intensity measurements) (SADABS; Sheldrick, 1996)	k = −8→7
Tmin = 0.765, Tmax = 0.853	l = −11→11
6297 measured reflections

Refinement

Refinement on F^2	Primary atom site location: structure-invariant direct methods
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F^2 > 2σ(F^2)] = 0.052	Hydrogen site location: inferred from neighbouring sites
wR(F^2) = 0.159	H-atom parameters constrained
S = 1.06	w = 1/[σ^2(Fo^2) + (0.0977P)^2] where P = (Fo^2 + 2Fc^2)/3
2238 reflections	(Δ/σ)max < 0.001
142 parameters	Δρmax = 0.61 e Å^−3
0 restraints	Δρmin = −0.83 e Å^−3

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Ų)

	x	y	z	Uiso*/Ueq
Co1	0.2500	0.7500	0.0000	0.0271 (2)
O1W	0.28065 (7)	1.0200 (4)	−0.0574 (3)	0.0440 (7)
O1	0.29298 (6)	0.6564 (4)	0.1682 (3)	0.0322 (5)
O2	0.26818 (6)	0.4347 (4)	0.3216 (3)	0.0364 (6)
C1	0.29509 (9)	0.5387 (5)	0.2864 (4)	0.0297 (7)
C2	0.33229 (9)	0.5243 (5)	0.3898 (4)	0.0297 (7)
C3	0.35604 (9)	0.3439 (6)	0.3470 (4)	0.0296 (7)
C4	0.34241 (10)	0.1835 (6)	0.2449 (4)	0.0354 (8)
C5	0.36452 (11)	0.0126 (6)	0.2089 (4)	0.0411 (9)
C6	0.40021 (11)	0.0011 (6)	0.2735 (5)	0.0434 (9)
C7	0.41627 (10)	0.1616 (7)	0.3796 (4)	0.0386 (8)
C8	0.45350 (11)	0.1542 (8)	0.4486 (5)	0.0489 (10)
C9	0.46841 (11)	0.3101 (8)	0.5499 (5)	0.0539 (11)
C10	0.44648 (10)	0.4789 (7)	0.5884 (5)	0.0501 (10)
C11	0.41056 (10)	0.4914 (6)	0.5245 (4)	0.0410 (9)
C12	0.39376 (10)	0.3354 (6)	0.4176 (4)	0.0326 (7)
H2A	0.3286	0.5041	0.4961	0.036*
H2B	0.3451	0.6602	0.3846	0.036*
H1W1	0.2663	1.0357	−0.1432	0.066*
H1W2	0.2678	0.9955	0.0127	0.066*
H4	0.3179	0.1883	0.1985	0.043*
H5	0.3544	−0.0938	0.1396	0.049*
H6	0.4145	−0.1132	0.2485	0.052*
H8	0.4682	0.0411	0.4247	0.059*
H9	0.4931	0.3041	0.5934	0.065*
H10	0.4567	0.5839	0.6587	0.060*
H11	0.3966	0.6056	0.5516	0.049*

Atomic displacement parameters (Ų)

	U^11	U^22	U^33	U^12	U^13	U^23
Co1	0.0295 (4)	0.0185 (3)	0.0330 (3)	−0.0007 (3)	0.0041 (2)	0.0006 (2)
O1W	0.0489 (17)	0.0369 (16)	0.0434 (13)	−0.0150 (13)	−0.0003 (12)	0.0082 (11)
O1	0.0307 (13)	0.0284 (13)	0.0376 (11)	0.0014 (11)	0.0057 (9)	0.0048 (10)
O2	0.0298 (13)	0.0359 (15)	0.0434 (13)	−0.0056 (11)	0.0052 (10)	0.0085 (11)
C1	0.0355 (19)	0.0198 (16)	0.0344 (15)	0.0042 (14)	0.0073 (14)	−0.0030 (12)
C2	0.0305 (18)	0.0210 (17)	0.0374 (16)	−0.0011 (14)	0.0051 (14)	−0.0017 (13)
C3	0.0304 (18)	0.0221 (17)	0.0372 (16)	−0.0011 (15)	0.0083 (13)	0.0036 (14)
C4	0.0306 (19)	0.0320 (19)	0.0434 (18)	−0.0010 (16)	0.0053 (15)	−0.0007 (15)
C5	0.044 (2)	0.026 (2)	0.053 (2)	−0.0019 (17)	0.0084 (17)	−0.0093 (15)
C6	0.042 (2)	0.030 (2)	0.059 (2)	0.0073 (18)	0.0120 (18)	−0.0027 (16)
C7	0.033 (2)	0.032 (2)	0.053 (2)	0.0037 (17)	0.0115 (16)	0.0028 (17)
C8	0.035 (2)	0.044 (3)	0.067 (2)	0.013 (2)	0.0076 (18)	0.001 (2)
C9	0.029 (2)	0.061 (3)	0.069 (3)	0.005 (2)	−0.0012 (19)	0.001 (2)
C10	0.037 (2)	0.045 (3)	0.066 (3)	−0.004 (2)	−0.0022 (19)	−0.009 (2)
C11	0.035 (2)	0.034 (2)	0.053 (2)	0.0005 (17)	0.0039 (16)	−0.0059 (16)
C12	0.0326 (19)	0.0256 (18)	0.0401 (17)	−0.0011 (16)	0.0070 (14)	0.0053 (14)

Geometric parameters (Å, º)

Co1—O1	2.062 (2)	C3—C12	1.429 (5)
Co1—O2^i	2.130 (2)	C4—C5	1.405 (5)
Co1—O1W	2.126 (2)	C4—H4	0.9300
O1—C1	1.256 (4)	C5—C6	1.348 (5)
O2—C1	1.265 (4)	C5—H5	0.9300
Co1—O1^ii	2.062 (2)	C6—C7	1.420 (6)
Co1—O2^iii	2.130 (2)	C6—H6	0.9300
Co1—O1W^ii	2.126 (2)	C7—C8	1.409 (5)
Co1—H1W2	1.6524	C7—C12	1.432 (5)
O1W—H1W1	0.8500	C8—C9	1.364 (7)
O1W—H1W2	0.8499	C8—H8	0.9300
O2—Co1^iv	2.130 (2)	C9—C10	1.397 (6)
C1—C2	1.518 (4)	C9—H9	0.9300
C2—C3	1.505 (5)	C10—C11	1.355 (5)
C2—H2A	0.9700	C10—H10	0.9300
C2—H2B	0.9700	C11—C12	1.414 (5)
C3—C4	1.374 (5)	C11—H11	0.9300
O1^ii—Co1—O1	180.00 (17)	C3—C4—C5	121.7 (4)
O1^ii—Co1—O2^i	94.17 (9)	C3—C4—H4	119.1
O1—Co1—O2^i	85.83 (9)	C3—C12—C7	119.3 (3)
O1^ii—Co1—O1W	89.31 (10)	C4—C3—C2	122.1 (3)
O1—Co1—O1W	90.69 (10)	C4—C3—C12	118.7 (3)
O2^iii—Co1—O2^i	180.00 (16)	C4—C5—H5	119.6
O1W^ii—Co1—O2^i	90.23 (10)	C5—C4—H4	119.1
O1W—Co1—O2^i	89.77 (10)	C5—C6—C7	120.7 (3)
O1W^ii—Co1—O1W	180.00 (11)	C5—C6—H6	119.6
Co1—O1W—H1W1	91.0	C6—C5—C4	120.7 (4)
Co1—O1W—H1W2	46.0	C6—C5—H5	119.6
O1^ii—Co1—O2^iii	85.83 (9)	C6—C7—C12	118.8 (3)
O1—Co1—O2^iii	94.17 (9)	C7—C6—H6	119.6
O1^ii—Co1—O1W^ii	90.69 (10)	C7—C8—H8	119.5
O1—Co1—O1W^ii	89.31 (10)	C8—C7—C6	122.0 (4)
O1^ii—Co1—H1W2	92.3	C8—C7—C12	119.2 (4)
O1—Co1—H1W2	87.7	C8—C9—C10	119.9 (4)
O1—C1—O2	123.5 (3)	C8—C9—H9	120.1
O1—C1—C2	116.8 (3)	C9—C8—C7	121.1 (4)
O2^iii—Co1—H1W2	111.9	C9—C8—H8	119.5
O2^i—Co1—H1W2	68.1	C9—C10—H10	119.6
O2—C1—C2	119.7 (3)	C10—C9—H9	120.1
O1W^ii—Co1—O2^iii	89.77 (10)	C10—C11—C12	121.8 (4)
O1W—Co1—O2^iii	90.23 (10)	C10—C11—H11	119.1
O1W^ii—Co1—H1W2	158.3	C11—C10—C9	120.7 (4)
O1W—Co1—H1W2	21.7	C11—C10—H10	119.6
C1—O1—Co1	133.3 (2)	C11—C12—C3	123.4 (3)
C1—O2—Co1^iv	143.8 (2)	C11—C12—C7	117.3 (3)
C1—C2—C3	113.8 (3)	C12—C3—C2	119.1 (3)
C1—C2—H2A	108.8	C12—C11—H11	119.1
C1—C2—H2B	108.8	H2A—C2—H2B	107.7
C3—C2—H2A	108.8	H1W1—O1W—H1W2	108.3
C3—C2—H2B	108.8
Co1—O1—C1—O2	4.9 (5)	C4—C3—C12—C7	0.4 (5)
Co1—O1—C1—C2	−175.2 (2)	C4—C5—C6—C7	0.0 (6)
Co1^iv—O2—C1—O1	−169.7 (3)	C5—C6—C7—C8	−179.8 (4)
Co1^iv—O2—C1—C2	10.3 (5)	C5—C6—C7—C12	0.5 (6)
O1—C1—C2—C3	−90.2 (4)	C6—C7—C8—C9	179.9 (4)
O2^iii—Co1—O1—C1	−110.8 (3)	C6—C7—C12—C3	−0.7 (5)
O2^i—Co1—O1—C1	69.2 (3)	C6—C7—C12—C11	179.5 (3)
O2—C1—C2—C3	89.8 (3)	C7—C8—C9—C10	1.0 (7)
O1W^ii—Co1—O1—C1	−21.0 (3)	C8—C7—C12—C3	179.6 (3)
O1W—Co1—O1—C1	159.0 (3)	C8—C7—C12—C11	−0.2 (5)
C1—C2—C3—C4	−12.3 (4)	C8—C9—C10—C11	−0.9 (7)
C1—C2—C3—C12	169.4 (3)	C9—C10—C11—C12	0.3 (6)
C2—C3—C4—C5	−178.2 (3)	C10—C11—C12—C3	−179.6 (3)
C2—C3—C12—C7	178.7 (3)	C10—C11—C12—C7	0.3 (6)
C2—C3—C12—C11	−1.4 (5)	C12—C3—C4—C5	0.1 (5)
C3—C4—C5—C6	−0.3 (6)	C12—C7—C8—C9	−0.4 (6)
C4—C3—C12—C11	−179.8 (3)

Symmetry codes: (i) −x+1/2, y+1/2, −z+1/2; (ii) −x+1/2, −y+3/2, −z; (iii) x, −y+1, z−1/2; (iv) −x+1/2, y−1/2, −z+1/2.

Hydrogen-bond geometry (Å, º)

D—H···A	D—H	H···A	D···A	D—H···A
O1W—H1W1···O2^ii	0.85	1.85	2.701 (3)	176
O1W—H1W2···O2^i	0.85	2.16	3.004 (3)	176

Symmetry codes: (i) −x+1/2, y+1/2, −z+1/2; (ii) −x+1/2, −y+3/2, −z.