Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536807038573/is2201sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S1600536807038573/is2201Isup2.hkl |
Key indicators
- Single-crystal X-ray study
- T = 293 K
- Mean (C-C) = 0.008 Å
- R factor = 0.076
- wR factor = 0.133
- Data-to-parameter ratio = 12.2
checkCIF/PLATON results
No syntax errors found
Alert level B PLAT220_ALERT_2_B Large Non-Solvent C Ueq(max)/Ueq(min) ... 4.19 Ratio
Alert level C PLAT222_ALERT_3_C Large Non-Solvent H Ueq(max)/Ueq(min) ... 3.06 Ratio PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for O7 PLAT341_ALERT_3_C Low Bond Precision on C-C Bonds (x 1000) Ang ... 8
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 Co1 (9) 1.53 PLAT794_ALERT_5_G Check Predicted Bond Valency for Co2 (9) 1.45 PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints ....... 8
0 ALERT level A = In general: serious problem 1 ALERT level B = Potentially serious problem 3 ALERT level C = Check and explain 5 ALERT level G = General alerts; check 2 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 2 ALERT type 2 Indicator that the structure model may be wrong or deficient 3 ALERT type 3 Indicator that the structure quality may be low 0 ALERT type 4 Improvement, methodology, query or suggestion 2 ALERT type 5 Informative message, check
A methanol solution (50 ml) containing phthalic acid (3.32 g, 0.02 mol) and cobalt acetate (1.77 g, 0.01 mol) was refluxed for 50 min and the reaction solid was separated and dried. The dried solid (0.2 g) was dissolved in H2O (20 ml) and pink single crystals were obtained after the solution had been allowed to stand at room temperature for about a month.
H atoms of water molecules and hydroxyl groups were located in a difference Fourier map and were refined with distance restraints of O—H = 0.85 (2) Å for water molecules and 0.82 (2) Å for hydroxyl groups, and with Uiso(H) = 1.5Ueq(O). Other H atoms were placed in calculated positions (C—H = 0.93 or 0.96 Å) and refined as riding, with Uiso(H) = 1.2Ueq(C) or 1.5Ueq(methyl C).
Phthalate anion is a versatile ligand and a large number of multi-nuclear complexes with it as a bridging ligand have been reported (Baca et al., 2003, 2006). Here we report the crystal structure of a novel coordination polymer dealing with phthalate anion, (I).
Fig. 1 shows the asymmetric unit and the symmetry-related fragment of (I). Atoms Co1 and Co2 lie in an inversion centre and are in a distorted octahedral CoO6 coordination geometry (Table 1). Each phthalate anion as a µ2-bridging ligand joins two adjacent CoII atoms with separation of 6.6367 (6) Å and it results in the formation of a zigzag one-dimensional chain along the c axis. The overall crystal structure of (I) is a super-molecular three-dimensional network, which attributes to the connection between chains by the O—H···O and C—H···O hydrogen bonds (Table 2 and Fig. 2).
For related crystal structures, see: Baca et al. (2003, 2006).
Data collection: SMART (Bruker, 1997); cell refinement: SAINT (Bruker, 1997); 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, 2001); software used to prepare material for publication: SHELXTL.
[Co(C8H4O4)(CH4O)2(H2O)2] | F(000) = 668 |
Mr = 323.16 | Dx = 1.613 Mg m−3 |
Monoclinic, P21/c | Mo Kα radiation, λ = 0.71073 Å |
Hall symbol: -P 2ybc | Cell parameters from 2648 reflections |
a = 10.0810 (9) Å | θ = 2.6–27.6° |
b = 9.9429 (9) Å | µ = 1.32 mm−1 |
c = 13.2735 (12) Å | T = 293 K |
β = 90.300 (2)° | Prism, pink |
V = 1330.4 (2) Å3 | 0.20 × 0.20 × 0.15 mm |
Z = 4 |
Bruker SMART APEX CCD diffractometer | 2351 independent reflections |
Radiation source: fine-focus sealed tube | 2172 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.026 |
φ and ω scans | θmax = 25.1°, θmin = 2.0° |
Absorption correction: multi-scan (SADABS; Sheldrick, 1996) | h = −6→12 |
Tmin = 0.778, Tmax = 0.826 | k = −11→11 |
5378 measured reflections | l = −15→15 |
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)] = 0.077 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.133 | H atoms treated by a mixture of independent and constrained refinement |
S = 1.27 | w = 1/[σ2(Fo2) + (0.0199P)2 + 5.7387P] where P = (Fo2 + 2Fc2)/3 |
2351 reflections | (Δ/σ)max < 0.001 |
193 parameters | Δρmax = 0.49 e Å−3 |
8 restraints | Δρmin = −0.30 e Å−3 |
[Co(C8H4O4)(CH4O)2(H2O)2] | V = 1330.4 (2) Å3 |
Mr = 323.16 | Z = 4 |
Monoclinic, P21/c | Mo Kα radiation |
a = 10.0810 (9) Å | µ = 1.32 mm−1 |
b = 9.9429 (9) Å | T = 293 K |
c = 13.2735 (12) Å | 0.20 × 0.20 × 0.15 mm |
β = 90.300 (2)° |
Bruker SMART APEX CCD diffractometer | 2351 independent reflections |
Absorption correction: multi-scan (SADABS; Sheldrick, 1996) | 2172 reflections with I > 2σ(I) |
Tmin = 0.778, Tmax = 0.826 | Rint = 0.026 |
5378 measured reflections |
R[F2 > 2σ(F2)] = 0.077 | 8 restraints |
wR(F2) = 0.133 | H atoms treated by a mixture of independent and constrained refinement |
S = 1.27 | Δρmax = 0.49 e Å−3 |
2351 reflections | Δρmin = −0.30 e Å−3 |
193 parameters |
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. |
x | y | z | Uiso*/Ueq | ||
Co1 | 0.5000 | 0.0000 | 1.0000 | 0.0270 (3) | |
Co2 | 0.5000 | 0.0000 | 0.5000 | 0.0291 (3) | |
O1 | 0.3636 (3) | 0.1108 (3) | 0.9162 (3) | 0.0247 (8) | |
O2 | 0.1792 (4) | −0.0057 (4) | 0.9467 (3) | 0.0421 (10) | |
O3 | 0.4035 (4) | 0.1133 (4) | 0.6087 (3) | 0.0316 (9) | |
O4 | 0.3505 (4) | −0.0417 (3) | 0.7224 (3) | 0.0304 (9) | |
O5 | 0.6557 (4) | 0.1154 (4) | 0.9317 (3) | 0.0352 (9) | |
H2 | 0.717 (5) | 0.087 (7) | 0.966 (4) | 0.053* | |
O6 | 0.5027 (5) | 0.1347 (4) | 1.1156 (3) | 0.0374 (10) | |
H6C | 0.553 (5) | 0.120 (6) | 1.166 (3) | 0.056* | |
H6D | 0.471 (6) | 0.214 (3) | 1.117 (4) | 0.056* | |
O7 | 0.6667 (4) | 0.1246 (4) | 0.5157 (4) | 0.0459 (11) | |
H1 | 0.661 (8) | 0.198 (4) | 0.488 (5) | 0.069* | |
O8 | 0.4320 (4) | 0.1280 (4) | 0.3867 (3) | 0.0343 (10) | |
H8A | 0.412 (6) | 0.210 (3) | 0.388 (5) | 0.051* | |
H8B | 0.499 (4) | 0.115 (5) | 0.349 (4) | 0.051* | |
C1 | 0.2433 (5) | 0.0782 (5) | 0.8981 (4) | 0.0250 (12) | |
C2 | 0.1755 (5) | 0.1554 (5) | 0.8149 (4) | 0.0273 (12) | |
C3 | 0.0660 (6) | 0.2309 (6) | 0.8391 (5) | 0.0417 (15) | |
H3A | 0.0314 | 0.2250 | 0.9037 | 0.050* | |
C4 | 0.0059 (6) | 0.3155 (7) | 0.7695 (5) | 0.0482 (18) | |
H4A | −0.0682 | 0.3658 | 0.7871 | 0.058* | |
C5 | 0.0578 (6) | 0.3241 (6) | 0.6739 (5) | 0.0460 (17) | |
H5A | 0.0200 | 0.3822 | 0.6270 | 0.055* | |
C6 | 0.1661 (6) | 0.2462 (6) | 0.6475 (5) | 0.0400 (14) | |
H6B | 0.1996 | 0.2512 | 0.5825 | 0.048* | |
C7 | 0.2251 (5) | 0.1606 (5) | 0.7175 (4) | 0.0267 (12) | |
C8 | 0.3358 (5) | 0.0702 (5) | 0.6825 (4) | 0.0236 (12) | |
C9 | 0.6831 (7) | 0.1107 (7) | 0.8252 (5) | 0.0537 (18) | |
H9A | 0.7566 | 0.1687 | 0.8104 | 0.080* | |
H9B | 0.6064 | 0.1400 | 0.7882 | 0.080* | |
H9C | 0.7047 | 0.0202 | 0.8062 | 0.080* | |
C10 | 0.7954 (9) | 0.0949 (10) | 0.5518 (8) | 0.098 (4) | |
H10A | 0.8493 | 0.1743 | 0.5489 | 0.147* | |
H10B | 0.8341 | 0.0259 | 0.5108 | 0.147* | |
H10C | 0.7902 | 0.0642 | 0.6202 | 0.147* |
U11 | U22 | U33 | U12 | U13 | U23 | |
Co1 | 0.0288 (6) | 0.0185 (5) | 0.0336 (6) | −0.0006 (5) | −0.0035 (4) | 0.0013 (5) |
Co2 | 0.0353 (6) | 0.0198 (5) | 0.0321 (6) | 0.0021 (5) | 0.0001 (5) | −0.0005 (5) |
O1 | 0.0189 (19) | 0.0197 (18) | 0.035 (2) | −0.0017 (15) | −0.0050 (15) | 0.0037 (16) |
O2 | 0.037 (2) | 0.043 (2) | 0.045 (2) | −0.012 (2) | −0.0051 (19) | 0.015 (2) |
O3 | 0.044 (2) | 0.0190 (19) | 0.032 (2) | 0.0042 (18) | 0.0052 (18) | −0.0024 (16) |
O4 | 0.051 (3) | 0.0164 (19) | 0.0236 (19) | 0.0067 (17) | 0.0021 (18) | 0.0000 (15) |
O5 | 0.032 (2) | 0.034 (2) | 0.040 (2) | −0.0033 (19) | −0.0020 (18) | 0.0073 (19) |
O6 | 0.055 (3) | 0.022 (2) | 0.035 (2) | 0.011 (2) | −0.011 (2) | −0.0040 (18) |
O7 | 0.039 (3) | 0.022 (2) | 0.076 (3) | −0.002 (2) | −0.011 (2) | 0.005 (2) |
O8 | 0.041 (3) | 0.023 (2) | 0.038 (2) | 0.0115 (19) | 0.0017 (19) | 0.0029 (18) |
C1 | 0.029 (3) | 0.021 (3) | 0.025 (3) | 0.002 (2) | −0.002 (2) | −0.004 (2) |
C2 | 0.023 (3) | 0.024 (3) | 0.035 (3) | 0.000 (2) | −0.003 (2) | −0.003 (2) |
C3 | 0.032 (3) | 0.046 (4) | 0.046 (4) | 0.013 (3) | 0.003 (3) | −0.002 (3) |
C4 | 0.032 (3) | 0.050 (4) | 0.063 (5) | 0.021 (3) | −0.002 (3) | −0.005 (3) |
C5 | 0.043 (4) | 0.038 (4) | 0.057 (4) | 0.011 (3) | −0.012 (3) | 0.010 (3) |
C6 | 0.042 (4) | 0.034 (3) | 0.043 (3) | 0.002 (3) | −0.005 (3) | 0.009 (3) |
C7 | 0.026 (3) | 0.017 (3) | 0.037 (3) | −0.001 (2) | −0.002 (2) | −0.002 (2) |
C8 | 0.037 (3) | 0.019 (3) | 0.014 (2) | −0.001 (2) | −0.007 (2) | 0.004 (2) |
C9 | 0.057 (5) | 0.037 (4) | 0.067 (5) | −0.002 (3) | 0.008 (4) | 0.009 (4) |
C10 | 0.074 (6) | 0.102 (8) | 0.118 (8) | −0.039 (6) | −0.034 (6) | 0.048 (7) |
Co1—O1i | 2.080 (3) | O7—H1 | 0.82 (5) |
Co1—O1 | 2.080 (3) | O8—H8A | 0.84 (3) |
Co1—O5i | 2.148 (4) | O8—H8B | 0.85 (4) |
Co1—O5 | 2.148 (4) | C1—C2 | 1.506 (7) |
Co1—O6 | 2.037 (4) | C2—C3 | 1.374 (8) |
Co1—O6i | 2.037 (4) | C2—C7 | 1.389 (8) |
Co2—O3 | 2.077 (4) | C3—C4 | 1.386 (9) |
Co2—O3ii | 2.077 (4) | C3—H3A | 0.9300 |
Co2—O7 | 2.098 (4) | C4—C5 | 1.377 (9) |
Co2—O7ii | 2.098 (4) | C4—H4A | 0.9300 |
Co2—O8ii | 2.083 (4) | C5—C6 | 1.385 (9) |
Co2—O8 | 2.083 (4) | C5—H5A | 0.9300 |
O1—C1 | 1.277 (6) | C6—C7 | 1.392 (8) |
O2—C1 | 1.239 (6) | C6—H6B | 0.9300 |
O3—C8 | 1.271 (6) | C7—C8 | 1.508 (7) |
O4—C8 | 1.240 (6) | C9—H9A | 0.9600 |
O5—C9 | 1.443 (8) | C9—H9B | 0.9600 |
O5—H2 | 0.82 (5) | C9—H9C | 0.9600 |
O6—H6C | 0.85 (4) | C10—H10A | 0.9600 |
O6—H6D | 0.85 (5) | C10—H10B | 0.9600 |
O7—C10 | 1.411 (9) | C10—H10C | 0.9600 |
O6—Co1—O6i | 180.000 (1) | Co2—O7—H1 | 115 (5) |
O6—Co1—O1i | 86.52 (15) | Co2—O8—H8A | 131 (4) |
O6i—Co1—O1i | 93.48 (15) | Co2—O8—H8B | 94 (4) |
O6—Co1—O1 | 93.48 (15) | H8A—O8—H8B | 110 (3) |
O6i—Co1—O1 | 86.52 (15) | O2—C1—O1 | 124.8 (5) |
O1i—Co1—O1 | 180.000 (1) | O2—C1—C2 | 119.3 (5) |
O6—Co1—O5i | 92.29 (17) | O1—C1—C2 | 115.8 (5) |
O6i—Co1—O5i | 87.71 (17) | C3—C2—C7 | 119.4 (5) |
O1i—Co1—O5i | 88.50 (14) | C3—C2—C1 | 118.0 (5) |
O1—Co1—O5i | 91.50 (14) | C7—C2—C1 | 122.4 (5) |
O6—Co1—O5 | 87.71 (17) | C2—C3—C4 | 121.6 (6) |
O6i—Co1—O5 | 92.29 (17) | C2—C3—H3A | 119.2 |
O1i—Co1—O5 | 91.50 (14) | C4—C3—H3A | 119.2 |
O1—Co1—O5 | 88.50 (14) | C5—C4—C3 | 119.0 (6) |
O5i—Co1—O5 | 180.0 | C5—C4—H4A | 120.5 |
O3—Co2—O3ii | 180.00 (14) | C3—C4—H4A | 120.5 |
O3—Co2—O8ii | 89.05 (15) | C4—C5—C6 | 120.2 (6) |
O3ii—Co2—O8ii | 90.95 (15) | C4—C5—H5A | 119.9 |
O3—Co2—O8 | 90.95 (15) | C6—C5—H5A | 119.9 |
O3ii—Co2—O8 | 89.05 (15) | C5—C6—C7 | 120.5 (6) |
O8ii—Co2—O8 | 180.00 (15) | C5—C6—H6B | 119.8 |
O3—Co2—O7 | 89.33 (17) | C7—C6—H6B | 119.8 |
O3ii—Co2—O7 | 90.67 (17) | C2—C7—C6 | 119.3 (5) |
O8ii—Co2—O7 | 91.63 (17) | C2—C7—C8 | 122.4 (5) |
O8—Co2—O7 | 88.37 (17) | C6—C7—C8 | 118.2 (5) |
O3—Co2—O7ii | 90.67 (17) | O4—C8—O3 | 124.6 (5) |
O3ii—Co2—O7ii | 89.33 (17) | O4—C8—C7 | 119.3 (5) |
O8ii—Co2—O7ii | 88.37 (17) | O3—C8—C7 | 115.9 (4) |
O8—Co2—O7ii | 91.63 (17) | O5—C9—H9A | 109.5 |
O7—Co2—O7ii | 180.00 (18) | O5—C9—H9B | 109.5 |
C1—O1—Co1 | 126.2 (3) | H9A—C9—H9B | 109.5 |
C8—O3—Co2 | 127.4 (3) | O5—C9—H9C | 109.5 |
C9—O5—Co1 | 122.7 (4) | H9A—C9—H9C | 109.5 |
C9—O5—H2 | 113 (5) | H9B—C9—H9C | 109.5 |
Co1—O5—H2 | 98 (5) | O7—C10—H10A | 109.5 |
Co1—O6—H6C | 119 (4) | O7—C10—H10B | 109.5 |
Co1—O6—H6D | 128 (4) | H10A—C10—H10B | 109.5 |
H6C—O6—H6D | 112 (3) | O7—C10—H10C | 109.5 |
C10—O7—Co2 | 130.1 (5) | H10A—C10—H10C | 109.5 |
C10—O7—H1 | 114 (6) | H10B—C10—H10C | 109.5 |
O6—Co1—O1—C1 | −110.5 (4) | O2—C1—C2—C7 | −126.5 (6) |
O6i—Co1—O1—C1 | 69.5 (4) | O1—C1—C2—C7 | 56.9 (7) |
O5i—Co1—O1—C1 | −18.1 (4) | C7—C2—C3—C4 | −2.0 (9) |
O5—Co1—O1—C1 | 161.9 (4) | C1—C2—C3—C4 | 173.3 (6) |
O8ii—Co2—O3—C8 | −43.5 (4) | C2—C3—C4—C5 | −0.1 (10) |
O8—Co2—O3—C8 | 136.5 (4) | C3—C4—C5—C6 | 1.7 (10) |
O7—Co2—O3—C8 | −135.1 (4) | C4—C5—C6—C7 | −1.2 (10) |
O7ii—Co2—O3—C8 | 44.9 (4) | C3—C2—C7—C6 | 2.6 (8) |
O6—Co1—O5—C9 | −158.0 (4) | C1—C2—C7—C6 | −172.6 (5) |
O6i—Co1—O5—C9 | 22.0 (4) | C3—C2—C7—C8 | −173.6 (5) |
O1i—Co1—O5—C9 | 115.6 (4) | C1—C2—C7—C8 | 11.3 (8) |
O1—Co1—O5—C9 | −64.4 (4) | C5—C6—C7—C2 | −1.0 (9) |
O3—Co2—O7—C10 | 114.6 (7) | C5—C6—C7—C8 | 175.3 (5) |
O3ii—Co2—O7—C10 | −65.4 (7) | Co2—O3—C8—O4 | 25.4 (7) |
O8ii—Co2—O7—C10 | 25.6 (7) | Co2—O3—C8—C7 | −150.5 (4) |
O8—Co2—O7—C10 | −154.4 (7) | C2—C7—C8—O4 | 28.2 (8) |
Co1—O1—C1—O2 | 18.8 (8) | C6—C7—C8—O4 | −148.0 (5) |
Co1—O1—C1—C2 | −164.9 (3) | C2—C7—C8—O3 | −155.7 (5) |
O2—C1—C2—C3 | 58.3 (7) | C6—C7—C8—O3 | 28.1 (7) |
O1—C1—C2—C3 | −118.3 (6) |
Symmetry codes: (i) −x+1, −y, −z+2; (ii) −x+1, −y, −z+1. |
D—H···A | D—H | H···A | D···A | D—H···A |
O5—H2···O2i | 0.82 (5) | 1.75 (6) | 2.557 (5) | 167 (7) |
O7—H1···O5iii | 0.82 (5) | 2.00 (5) | 2.817 (6) | 175 (8) |
O6—H6C···O4i | 0.85 (5) | 1.93 (5) | 2.764 (5) | 165 (6) |
O6—H6D···O3iv | 0.85 (4) | 1.85 (4) | 2.699 (5) | 176 (6) |
O8—H8A···O1iii | 0.84 (3) | 1.88 (3) | 2.716 (5) | 170 (6) |
O8—H8B···O4ii | 0.85 (4) | 1.94 (5) | 2.770 (5) | 166 (5) |
C5—H5A···O2v | 0.93 | 2.49 | 3.331 (7) | 150 |
Symmetry codes: (i) −x+1, −y, −z+2; (ii) −x+1, −y, −z+1; (iii) x, −y+1/2, z−1/2; (iv) x, −y+1/2, z+1/2; (v) −x, y+1/2, −z+3/2. |
Experimental details
Crystal data | |
Chemical formula | [Co(C8H4O4)(CH4O)2(H2O)2] |
Mr | 323.16 |
Crystal system, space group | Monoclinic, P21/c |
Temperature (K) | 293 |
a, b, c (Å) | 10.0810 (9), 9.9429 (9), 13.2735 (12) |
β (°) | 90.300 (2) |
V (Å3) | 1330.4 (2) |
Z | 4 |
Radiation type | Mo Kα |
µ (mm−1) | 1.32 |
Crystal size (mm) | 0.20 × 0.20 × 0.15 |
Data collection | |
Diffractometer | Bruker SMART APEX CCD |
Absorption correction | Multi-scan (SADABS; Sheldrick, 1996) |
Tmin, Tmax | 0.778, 0.826 |
No. of measured, independent and observed [I > 2σ(I)] reflections | 5378, 2351, 2172 |
Rint | 0.026 |
(sin θ/λ)max (Å−1) | 0.597 |
Refinement | |
R[F2 > 2σ(F2)], wR(F2), S | 0.077, 0.133, 1.27 |
No. of reflections | 2351 |
No. of parameters | 193 |
No. of restraints | 8 |
H-atom treatment | H atoms treated by a mixture of independent and constrained refinement |
Δρmax, Δρmin (e Å−3) | 0.49, −0.30 |
Computer programs: SMART (Bruker, 1997), SAINT (Bruker, 1997), SAINT, SHELXS97 (Sheldrick, 1997), SHELXL97 (Sheldrick, 1997), SHELXTL (Bruker, 2001), SHELXTL.
Co1—O1 | 2.080 (3) | Co2—O3 | 2.077 (4) |
Co1—O5 | 2.148 (4) | Co2—O7 | 2.098 (4) |
Co1—O6 | 2.037 (4) | Co2—O8 | 2.083 (4) |
D—H···A | D—H | H···A | D···A | D—H···A |
O5—H2···O2i | 0.82 (5) | 1.75 (6) | 2.557 (5) | 167 (7) |
O7—H1···O5ii | 0.82 (5) | 2.00 (5) | 2.817 (6) | 175 (8) |
O6—H6C···O4i | 0.85 (5) | 1.93 (5) | 2.764 (5) | 165 (6) |
O6—H6D···O3iii | 0.85 (4) | 1.85 (4) | 2.699 (5) | 176 (6) |
O8—H8A···O1ii | 0.84 (3) | 1.88 (3) | 2.716 (5) | 170 (6) |
O8—H8B···O4iv | 0.85 (4) | 1.94 (5) | 2.770 (5) | 166 (5) |
C5—H5A···O2v | 0.93 | 2.49 | 3.331 (7) | 150 |
Symmetry codes: (i) −x+1, −y, −z+2; (ii) x, −y+1/2, z−1/2; (iii) x, −y+1/2, z+1/2; (iv) −x+1, −y, −z+1; (v) −x, y+1/2, −z+3/2. |
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Phthalate anion is a versatile ligand and a large number of multi-nuclear complexes with it as a bridging ligand have been reported (Baca et al., 2003, 2006). Here we report the crystal structure of a novel coordination polymer dealing with phthalate anion, (I).
Fig. 1 shows the asymmetric unit and the symmetry-related fragment of (I). Atoms Co1 and Co2 lie in an inversion centre and are in a distorted octahedral CoO6 coordination geometry (Table 1). Each phthalate anion as a µ2-bridging ligand joins two adjacent CoII atoms with separation of 6.6367 (6) Å and it results in the formation of a zigzag one-dimensional chain along the c axis. The overall crystal structure of (I) is a super-molecular three-dimensional network, which attributes to the connection between chains by the O—H···O and C—H···O hydrogen bonds (Table 2 and Fig. 2).