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In the title compound, [Co(C12H9O2)2(H2O)2]n, the CoII 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.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536806048744/hk2162sup1.cif
Contains datablocks global, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536806048744/hk2162Isup2.hkl
Contains datablock I

CCDC reference: 630008

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

No syntax errors found



Alert level C PLAT720_ALERT_4_C Number of Unusual/Non-Standard Label(s) ........ 2
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 1 ALERT level C = Check and explain 0 ALERT level G = General alerts; check 0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 0 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 0 ALERT type 5 Informative message, check

Computing details top

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] top
Crystal data top
[Co(C12H9O2)2(H2O)2]F(000) = 964
Mr = 465.35Dx = 1.566 Mg m3
Monoclinic, C2/cMo Kα radiation, λ = 0.71073 Å
Hall symbol: -C 2ycCell parameters from 6115 reflections
a = 36.954 (5) Åθ = 1.1–27.5°
b = 6.1913 (10) ŵ = 0.91 mm1
c = 8.7464 (13) ÅT = 273 K
β = 99.524 (9)°Block, pink
V = 1973.5 (5) Å30.31 × 0.26 × 0.18 mm
Z = 4
Data collection top
Bruker P4
diffractometer
2238 independent reflections
Radiation source: fine-focus sealed tube1628 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.043
Detector resolution: 10 pixels mm-1θmax = 27.5°, θmin = 1.1°
ω scansh = 3747
Absorption correction: empirical (using intensity measurements)
(SADABS; Sheldrick, 1996)
k = 87
Tmin = 0.765, Tmax = 0.853l = 1111
6297 measured reflections
Refinement top
Refinement on F2Primary atom site location: structure-invariant direct methods
Least-squares matrix: fullSecondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.052Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.159H-atom parameters constrained
S = 1.06 w = 1/[σ2(Fo2) + (0.0977P)2]
where P = (Fo2 + 2Fc2)/3
2238 reflections(Δ/σ)max < 0.001
142 parametersΔρmax = 0.61 e Å3
0 restraintsΔρmin = 0.83 e Å3
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
Co10.25000.75000.00000.0271 (2)
O1W0.28065 (7)1.0200 (4)0.0574 (3)0.0440 (7)
O10.29298 (6)0.6564 (4)0.1682 (3)0.0322 (5)
O20.26818 (6)0.4347 (4)0.3216 (3)0.0364 (6)
C10.29509 (9)0.5387 (5)0.2864 (4)0.0297 (7)
C20.33229 (9)0.5243 (5)0.3898 (4)0.0297 (7)
C30.35604 (9)0.3439 (6)0.3470 (4)0.0296 (7)
C40.34241 (10)0.1835 (6)0.2449 (4)0.0354 (8)
C50.36452 (11)0.0126 (6)0.2089 (4)0.0411 (9)
C60.40021 (11)0.0011 (6)0.2735 (5)0.0434 (9)
C70.41627 (10)0.1616 (7)0.3796 (4)0.0386 (8)
C80.45350 (11)0.1542 (8)0.4486 (5)0.0489 (10)
C90.46841 (11)0.3101 (8)0.5499 (5)0.0539 (11)
C100.44648 (10)0.4789 (7)0.5884 (5)0.0501 (10)
C110.41056 (10)0.4914 (6)0.5245 (4)0.0410 (9)
C120.39376 (10)0.3354 (6)0.4176 (4)0.0326 (7)
H2A0.32860.50410.49610.036*
H2B0.34510.66020.38460.036*
H1W10.26631.03570.14320.066*
H1W20.26780.99550.01270.066*
H40.31790.18830.19850.043*
H50.35440.09380.13960.049*
H60.41450.11320.24850.052*
H80.46820.04110.42470.059*
H90.49310.30410.59340.065*
H100.45670.58390.65870.060*
H110.39660.60560.55160.049*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Co10.0295 (4)0.0185 (3)0.0330 (3)0.0007 (3)0.0041 (2)0.0006 (2)
O1W0.0489 (17)0.0369 (16)0.0434 (13)0.0150 (13)0.0003 (12)0.0082 (11)
O10.0307 (13)0.0284 (13)0.0376 (11)0.0014 (11)0.0057 (9)0.0048 (10)
O20.0298 (13)0.0359 (15)0.0434 (13)0.0056 (11)0.0052 (10)0.0085 (11)
C10.0355 (19)0.0198 (16)0.0344 (15)0.0042 (14)0.0073 (14)0.0030 (12)
C20.0305 (18)0.0210 (17)0.0374 (16)0.0011 (14)0.0051 (14)0.0017 (13)
C30.0304 (18)0.0221 (17)0.0372 (16)0.0011 (15)0.0083 (13)0.0036 (14)
C40.0306 (19)0.0320 (19)0.0434 (18)0.0010 (16)0.0053 (15)0.0007 (15)
C50.044 (2)0.026 (2)0.053 (2)0.0019 (17)0.0084 (17)0.0093 (15)
C60.042 (2)0.030 (2)0.059 (2)0.0073 (18)0.0120 (18)0.0027 (16)
C70.033 (2)0.032 (2)0.053 (2)0.0037 (17)0.0115 (16)0.0028 (17)
C80.035 (2)0.044 (3)0.067 (2)0.013 (2)0.0076 (18)0.001 (2)
C90.029 (2)0.061 (3)0.069 (3)0.005 (2)0.0012 (19)0.001 (2)
C100.037 (2)0.045 (3)0.066 (3)0.004 (2)0.0022 (19)0.009 (2)
C110.035 (2)0.034 (2)0.053 (2)0.0005 (17)0.0039 (16)0.0059 (16)
C120.0326 (19)0.0256 (18)0.0401 (17)0.0011 (16)0.0070 (14)0.0053 (14)
Geometric parameters (Å, º) top
Co1—O12.062 (2)C3—C121.429 (5)
Co1—O2i2.130 (2)C4—C51.405 (5)
Co1—O1W2.126 (2)C4—H40.9300
O1—C11.256 (4)C5—C61.348 (5)
O2—C11.265 (4)C5—H50.9300
Co1—O1ii2.062 (2)C6—C71.420 (6)
Co1—O2iii2.130 (2)C6—H60.9300
Co1—O1Wii2.126 (2)C7—C81.409 (5)
Co1—H1W21.6524C7—C121.432 (5)
O1W—H1W10.8500C8—C91.364 (7)
O1W—H1W20.8499C8—H80.9300
O2—Co1iv2.130 (2)C9—C101.397 (6)
C1—C21.518 (4)C9—H90.9300
C2—C31.505 (5)C10—C111.355 (5)
C2—H2A0.9700C10—H100.9300
C2—H2B0.9700C11—C121.414 (5)
C3—C41.374 (5)C11—H110.9300
O1ii—Co1—O1180.00 (17)C3—C4—C5121.7 (4)
O1ii—Co1—O2i94.17 (9)C3—C4—H4119.1
O1—Co1—O2i85.83 (9)C3—C12—C7119.3 (3)
O1ii—Co1—O1W89.31 (10)C4—C3—C2122.1 (3)
O1—Co1—O1W90.69 (10)C4—C3—C12118.7 (3)
O2iii—Co1—O2i180.00 (16)C4—C5—H5119.6
O1Wii—Co1—O2i90.23 (10)C5—C4—H4119.1
O1W—Co1—O2i89.77 (10)C5—C6—C7120.7 (3)
O1Wii—Co1—O1W180.00 (11)C5—C6—H6119.6
Co1—O1W—H1W191.0C6—C5—C4120.7 (4)
Co1—O1W—H1W246.0C6—C5—H5119.6
O1ii—Co1—O2iii85.83 (9)C6—C7—C12118.8 (3)
O1—Co1—O2iii94.17 (9)C7—C6—H6119.6
O1ii—Co1—O1Wii90.69 (10)C7—C8—H8119.5
O1—Co1—O1Wii89.31 (10)C8—C7—C6122.0 (4)
O1ii—Co1—H1W292.3C8—C7—C12119.2 (4)
O1—Co1—H1W287.7C8—C9—C10119.9 (4)
O1—C1—O2123.5 (3)C8—C9—H9120.1
O1—C1—C2116.8 (3)C9—C8—C7121.1 (4)
O2iii—Co1—H1W2111.9C9—C8—H8119.5
O2i—Co1—H1W268.1C9—C10—H10119.6
O2—C1—C2119.7 (3)C10—C9—H9120.1
O1Wii—Co1—O2iii89.77 (10)C10—C11—C12121.8 (4)
O1W—Co1—O2iii90.23 (10)C10—C11—H11119.1
O1Wii—Co1—H1W2158.3C11—C10—C9120.7 (4)
O1W—Co1—H1W221.7C11—C10—H10119.6
C1—O1—Co1133.3 (2)C11—C12—C3123.4 (3)
C1—O2—Co1iv143.8 (2)C11—C12—C7117.3 (3)
C1—C2—C3113.8 (3)C12—C3—C2119.1 (3)
C1—C2—H2A108.8C12—C11—H11119.1
C1—C2—H2B108.8H2A—C2—H2B107.7
C3—C2—H2A108.8H1W1—O1W—H1W2108.3
C3—C2—H2B108.8
Co1—O1—C1—O24.9 (5)C4—C3—C12—C70.4 (5)
Co1—O1—C1—C2175.2 (2)C4—C5—C6—C70.0 (6)
Co1iv—O2—C1—O1169.7 (3)C5—C6—C7—C8179.8 (4)
Co1iv—O2—C1—C210.3 (5)C5—C6—C7—C120.5 (6)
O1—C1—C2—C390.2 (4)C6—C7—C8—C9179.9 (4)
O2iii—Co1—O1—C1110.8 (3)C6—C7—C12—C30.7 (5)
O2i—Co1—O1—C169.2 (3)C6—C7—C12—C11179.5 (3)
O2—C1—C2—C389.8 (3)C7—C8—C9—C101.0 (7)
O1Wii—Co1—O1—C121.0 (3)C8—C7—C12—C3179.6 (3)
O1W—Co1—O1—C1159.0 (3)C8—C7—C12—C110.2 (5)
C1—C2—C3—C412.3 (4)C8—C9—C10—C110.9 (7)
C1—C2—C3—C12169.4 (3)C9—C10—C11—C120.3 (6)
C2—C3—C4—C5178.2 (3)C10—C11—C12—C3179.6 (3)
C2—C3—C12—C7178.7 (3)C10—C11—C12—C70.3 (6)
C2—C3—C12—C111.4 (5)C12—C3—C4—C50.1 (5)
C3—C4—C5—C60.3 (6)C12—C7—C8—C90.4 (6)
C4—C3—C12—C11179.8 (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, z1/2; (iv) x+1/2, y1/2, z+1/2.
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
O1W—H1W1···O2ii0.851.852.701 (3)176
O1W—H1W2···O2i0.852.163.004 (3)176
Symmetry codes: (i) x+1/2, y+1/2, z+1/2; (ii) x+1/2, y+3/2, z.
 

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