Acta Cryst. (2008). E64, m813 [ doi:10.1107/S1600536808013123 ]
![[kappa]](/logos/entities/kappa_rmgif.gif)
O]cobalt(II) bis(perchlorate) hexahydrateIn the molecule of the centrosymmetric title compound, [Co(C25H20N2O5)2(H2O)4](ClO4)2·6H2O, the Co atom is octahedrally coordinated by four water molecules lying in the equatorial plane and two monodentate carboxylate groups from two dicarboxylate ligands. The crystal structure involves O-H
O and O-HCl hydrogen bonds..
An aqueous and water (V/V=1:1) solution of L (0.042 g, 0.1 mmol)and Co(ClO4)6H2O (0.11 g, 0.3 mmol) was stirred at 333 K for 10 min and then left to stand at room temperature. Single crystals of (I) were obtained after 3 d.
Data collection: CrystalClear (Rigaku, 2002); cell refinement: CrystalClear (Rigaku, 2002); data reduction: CrystalClear (Rigaku, 2002); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: [PLEASE PROVIDE SOFTWARE/REFERENCE]; software used to prepare material for publication: CrystalStructure (Rigaku, 2002).
![[Figure 1]](./gw2035fig1thm.gif)
| Fig. 1. The molecular structure of (I), shown with 30% probability displacement ellipsoids. |
| [Co(C25H20N2O5)2(H2O)4](ClO4)2·6H2O | Z = 1 |
| Mr = 1294.86 | F000 = 673 |
| Triclinic, P1 | Dx = 1.574 Mg m−3 |
| a = 7.9162 (19) Å | Mo Kα radiation λ = 0.71070 Å |
| b = 12.703 (3) Å | Cell parameters from 4046 reflections |
| c = 14.757 (3) Å | θ = 2.6–27.8º |
| α = 71.159 (6)º | µ = 0.51 mm−1 |
| β = 89.759 (8)º | T = 113 (2) K |
| γ = 77.175 (7)º | Prism, colorless |
| V = 1365.7 (5) Å3 | 0.18 × 0.16 × 0.14 mm |
| Rigaku Saturn diffractometer | 4738 independent reflections |
| Radiation source: fine-focus sealed tube | 4261 reflections with I > 2σ(I) |
| Monochromator: graphite | Rint = 0.024 |
| Detector resolution: 7.31 pixels mm-1 | θmax = 25.0º |
| T = 113(2) K | θmin = 2.7º |
| ω scans | h = −9→9 |
| Absorption correction: multi-scan (Jacobson, 1998) | k = −13→15 |
| Tmin = 0.914, Tmax = 0.932 | l = −17→17 |
| 12559 measured reflections |
| Refinement on F2 | Secondary atom site location: difference Fourier map |
| Least-squares matrix: full | Hydrogen site location: inferred from neighbouring sites |
| R[F2 > 2σ(F2)] = 0.057 | H atoms treated by a mixture of independent and constrained refinement |
| wR(F2) = 0.128 | w = 1/[σ2(Fo2) + (0.0385P)2 + 4.0784P] where P = (Fo2 + 2Fc2)/3 |
| S = 1.08 | (Δ/σ)max = 0.004 |
| 4738 reflections | Δρmax = 1.27 e Å−3 |
| 417 parameters | Δρmin = −0.45 e Å−3 |
| 17 restraints | Extinction correction: SHELXL97 (Sheldrick, 2008), Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4 |
| Primary atom site location: structure-invariant direct methods | Extinction coefficient: 0.013 (3) |
| [Co(C25H20N2O5)2(H2O)4](ClO4)2·6H2O | γ = 77.175 (7)º |
| Mr = 1294.86 | V = 1365.7 (5) Å3 |
| Triclinic, P1 | Z = 1 |
| a = 7.9162 (19) Å | Mo Kα |
| b = 12.703 (3) Å | µ = 0.51 mm−1 |
| c = 14.757 (3) Å | T = 113 (2) K |
| α = 71.159 (6)º | 0.18 × 0.16 × 0.14 mm |
| β = 89.759 (8)º |
| Rigaku Saturn diffractometer | 4738 independent reflections |
| Absorption correction: multi-scan (Jacobson, 1998) | 4261 reflections with I > 2σ(I) |
| Tmin = 0.914, Tmax = 0.932 | Rint = 0.024 |
| 12559 measured reflections |
| R[F2 > 2σ(F2)] = 0.057 | 17 restraints |
| wR(F2) = 0.128 | H atoms treated by a mixture of independent and constrained refinement |
| S = 1.08 | Δρmax = 1.27 e Å−3 |
| 4738 reflections | Δρmin = −0.45 e Å−3 |
| 417 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 | 1.5000 | 0.5000 | 0.5000 | 0.0166 (3) | |
| N1 | 0.7742 (5) | 0.6740 (4) | 0.2020 (3) | 0.0175 (9) | |
| N2 | 0.7187 (6) | 0.1380 (4) | 0.2728 (3) | 0.0228 (10) | |
| O1 | 1.1365 (7) | 0.4585 (4) | 0.4208 (5) | 0.073 (2) | |
| O2 | 1.2985 (5) | 0.5855 (3) | 0.3906 (3) | 0.0245 (9) | |
| O3 | 0.6931 (6) | 0.2768 (4) | 0.0159 (4) | 0.0443 (12) | |
| O4 | 1.1873 (5) | 0.1697 (3) | 0.3646 (3) | 0.0325 (10) | |
| O5 | 1.2889 (5) | −0.0172 (3) | 0.4167 (3) | 0.0321 (10) | |
| C1 | 1.1687 (7) | 0.5520 (5) | 0.3763 (4) | 0.0277 (13) | |
| C2 | 1.0353 (7) | 0.6348 (5) | 0.2975 (4) | 0.0220 (12) | |
| C3 | 1.0486 (7) | 0.7466 (5) | 0.2532 (4) | 0.0268 (13) | |
| H3 | 1.1446 | 0.7717 | 0.2701 | 0.032* | |
| C4 | 0.9214 (7) | 0.8213 (5) | 0.1842 (4) | 0.0266 (13) | |
| H4 | 0.9292 | 0.8982 | 0.1538 | 0.032* | |
| C5 | 0.7833 (7) | 0.7839 (4) | 0.1596 (4) | 0.0217 (11) | |
| H5 | 0.6946 | 0.8352 | 0.1130 | 0.026* | |
| C6 | 0.8963 (7) | 0.6001 (4) | 0.2702 (4) | 0.0203 (11) | |
| H6 | 0.8862 | 0.5235 | 0.2997 | 0.024* | |
| C7 | 0.6205 (7) | 0.6347 (5) | 0.1771 (4) | 0.0222 (12) | |
| H7A | 0.5414 | 0.7000 | 0.1288 | 0.027* | |
| H7B | 0.5567 | 0.6114 | 0.2354 | 0.027* | |
| C8 | 0.6653 (7) | 0.5364 (4) | 0.1382 (4) | 0.0213 (12) | |
| C9 | 0.7197 (7) | 0.5518 (5) | 0.0436 (4) | 0.0238 (12) | |
| C10 | 0.7556 (11) | 0.6557 (5) | −0.0161 (4) | 0.0432 (19) | |
| H10 | 0.7389 | 0.7190 | 0.0066 | 0.052* | |
| C11 | 0.8159 (8) | 0.6675 (6) | −0.1092 (5) | 0.0381 (15) | |
| H11 | 0.8491 | 0.7356 | −0.1454 | 0.046* | |
| C12 | 0.8263 (8) | 0.5787 (6) | −0.1474 (5) | 0.0387 (15) | |
| H12 | 0.8620 | 0.5871 | −0.2104 | 0.046* | |
| C13 | 0.7823 (8) | 0.4757 (5) | −0.0902 (4) | 0.0307 (14) | |
| H13 | 0.7852 | 0.4160 | −0.1161 | 0.037* | |
| C14 | 0.7340 (7) | 0.4612 (5) | 0.0052 (4) | 0.0243 (12) | |
| C15 | 0.6947 (7) | 0.3564 (5) | 0.0618 (5) | 0.0260 (13) | |
| C16 | 0.6448 (7) | 0.3420 (4) | 0.1539 (5) | 0.0278 (14) | |
| C17 | 0.6314 (7) | 0.4329 (5) | 0.1918 (4) | 0.0243 (12) | |
| H17 | 0.5982 | 0.4223 | 0.2555 | 0.029* | |
| C18 | 0.8347 (13) | 0.1867 (7) | 0.0329 (7) | 0.068 (3) | |
| H18A | 0.9385 | 0.2157 | 0.0128 | 0.082* | |
| H18B | 0.8166 | 0.1373 | −0.0035 | 0.082* | |
| H18C | 0.8504 | 0.1427 | 0.1016 | 0.082* | |
| C19 | 0.5813 (7) | 0.2382 (5) | 0.2098 (5) | 0.0327 (15) | |
| H19A | 0.5253 | 0.2121 | 0.1638 | 0.039* | |
| H19B | 0.4911 | 0.2610 | 0.2508 | 0.039* | |
| C20 | 0.6727 (7) | 0.0366 (5) | 0.3076 (4) | 0.0261 (12) | |
| H20 | 0.5597 | 0.0311 | 0.2914 | 0.031* | |
| C21 | 0.7884 (8) | −0.0581 (5) | 0.3660 (4) | 0.0280 (13) | |
| H21 | 0.7556 | −0.1290 | 0.3907 | 0.034* | |
| C22 | 0.9537 (7) | −0.0498 (5) | 0.3889 (4) | 0.0249 (12) | |
| H22 | 1.0363 | −0.1157 | 0.4272 | 0.030* | |
| C23 | 0.9980 (7) | 0.0553 (4) | 0.3556 (4) | 0.0209 (11) | |
| C24 | 0.8756 (7) | 0.1483 (4) | 0.2974 (4) | 0.0223 (12) | |
| H24 | 0.9033 | 0.2210 | 0.2744 | 0.027* | |
| C25 | 1.1779 (7) | 0.0706 (5) | 0.3813 (4) | 0.0241 (12) | |
| Cl1 | 0.30440 (18) | 0.00621 (11) | 0.11433 (10) | 0.0254 (4) | |
| O6 | 0.2137 (9) | 0.0363 (5) | 0.1891 (3) | 0.072 (2) | |
| O7 | 0.4485 (8) | 0.0568 (5) | 0.0958 (6) | 0.075 (2) | |
| O8 | 0.1939 (7) | 0.0440 (4) | 0.0298 (3) | 0.0463 (13) | |
| O9 | 0.3657 (6) | −0.1168 (3) | 0.1445 (3) | 0.0324 (10) | |
| O10 | 1.6526 (5) | 0.6076 (3) | 0.4204 (3) | 0.0222 (8) | |
| H10A | 1.604 (7) | 0.678 (4) | 0.399 (4) | 0.033* | |
| H10B | 1.724 (7) | 0.597 (5) | 0.467 (4) | 0.033* | |
| O11 | 1.4046 (5) | 0.6184 (3) | 0.5691 (3) | 0.0241 (9) | |
| H11A | 1.293 (5) | 0.645 (5) | 0.563 (5) | 0.036* | |
| H11B | 1.447 (7) | 0.676 (5) | 0.566 (5) | 0.036* | |
| O12 | 0.9425 (6) | 0.3085 (4) | 0.4369 (4) | 0.0470 (14) | |
| H12A | 0.985 (10) | 0.365 (5) | 0.431 (6) | 0.070* | |
| H12B | 1.017 (9) | 0.260 (5) | 0.418 (6) | 0.070* | |
| O13 | 0.5220 (6) | 0.1760 (3) | 0.6610 (3) | 0.0319 (10) | |
| H13A | 0.589 (8) | 0.128 (5) | 0.639 (4) | 0.048* | |
| H13B | 0.562 (9) | 0.160 (6) | 0.720 (3) | 0.048* | |
| O14 | 0.5114 (6) | 0.8080 (3) | 0.5631 (4) | 0.0372 (11) | |
| H14A | 0.598 (7) | 0.828 (6) | 0.582 (5) | 0.056* | |
| H14B | 0.444 (8) | 0.871 (5) | 0.528 (5) | 0.056* |
| U11 | U22 | U33 | U12 | U13 | U23 | |
| Co1 | 0.0134 (5) | 0.0155 (5) | 0.0214 (6) | −0.0038 (4) | −0.0016 (4) | −0.0065 (4) |
| N1 | 0.018 (2) | 0.018 (2) | 0.017 (2) | −0.0025 (17) | −0.0011 (17) | −0.0080 (18) |
| N2 | 0.017 (2) | 0.017 (2) | 0.034 (3) | −0.0035 (18) | 0.001 (2) | −0.008 (2) |
| O1 | 0.064 (4) | 0.032 (3) | 0.097 (5) | −0.031 (3) | −0.062 (3) | 0.027 (3) |
| O2 | 0.0179 (19) | 0.024 (2) | 0.031 (2) | −0.0065 (15) | −0.0067 (16) | −0.0058 (17) |
| O3 | 0.043 (3) | 0.034 (2) | 0.063 (3) | −0.006 (2) | −0.001 (2) | −0.028 (2) |
| O4 | 0.018 (2) | 0.027 (2) | 0.054 (3) | −0.0024 (16) | −0.0073 (19) | −0.017 (2) |
| O5 | 0.028 (2) | 0.028 (2) | 0.035 (2) | 0.0062 (18) | −0.0103 (18) | −0.0130 (19) |
| C1 | 0.027 (3) | 0.018 (3) | 0.036 (3) | −0.006 (2) | −0.013 (3) | −0.005 (2) |
| C2 | 0.020 (3) | 0.020 (3) | 0.026 (3) | −0.004 (2) | −0.006 (2) | −0.007 (2) |
| C3 | 0.024 (3) | 0.025 (3) | 0.032 (3) | −0.010 (2) | −0.006 (2) | −0.007 (2) |
| C4 | 0.029 (3) | 0.018 (3) | 0.031 (3) | −0.008 (2) | −0.004 (2) | −0.003 (2) |
| C5 | 0.023 (3) | 0.020 (3) | 0.020 (3) | 0.000 (2) | −0.001 (2) | −0.007 (2) |
| C6 | 0.020 (3) | 0.017 (3) | 0.023 (3) | −0.004 (2) | −0.003 (2) | −0.005 (2) |
| C7 | 0.018 (3) | 0.024 (3) | 0.026 (3) | −0.005 (2) | −0.005 (2) | −0.011 (2) |
| C8 | 0.018 (3) | 0.018 (3) | 0.026 (3) | −0.002 (2) | −0.012 (2) | −0.006 (2) |
| C9 | 0.022 (3) | 0.021 (3) | 0.025 (3) | −0.001 (2) | −0.015 (2) | −0.005 (2) |
| C10 | 0.089 (6) | 0.010 (3) | 0.022 (3) | 0.005 (3) | −0.034 (3) | −0.004 (2) |
| C11 | 0.032 (3) | 0.042 (4) | 0.036 (4) | −0.009 (3) | 0.001 (3) | −0.007 (3) |
| C12 | 0.033 (3) | 0.046 (4) | 0.032 (4) | −0.001 (3) | 0.000 (3) | −0.011 (3) |
| C13 | 0.029 (3) | 0.031 (3) | 0.032 (3) | 0.005 (2) | −0.012 (3) | −0.018 (3) |
| C14 | 0.014 (3) | 0.021 (3) | 0.035 (3) | 0.002 (2) | −0.010 (2) | −0.010 (2) |
| C15 | 0.016 (3) | 0.020 (3) | 0.044 (4) | −0.001 (2) | −0.005 (2) | −0.015 (3) |
| C16 | 0.014 (3) | 0.013 (3) | 0.051 (4) | 0.000 (2) | −0.013 (3) | −0.005 (3) |
| C17 | 0.017 (3) | 0.023 (3) | 0.029 (3) | −0.002 (2) | −0.011 (2) | −0.005 (2) |
| C18 | 0.081 (6) | 0.050 (5) | 0.069 (6) | 0.020 (4) | −0.024 (5) | −0.036 (5) |
| C19 | 0.018 (3) | 0.020 (3) | 0.054 (4) | −0.002 (2) | −0.007 (3) | −0.005 (3) |
| C20 | 0.025 (3) | 0.021 (3) | 0.036 (3) | −0.011 (2) | 0.003 (2) | −0.011 (2) |
| C21 | 0.034 (3) | 0.019 (3) | 0.032 (3) | −0.012 (2) | 0.003 (3) | −0.006 (2) |
| C22 | 0.029 (3) | 0.019 (3) | 0.022 (3) | 0.000 (2) | −0.002 (2) | −0.006 (2) |
| C23 | 0.024 (3) | 0.019 (3) | 0.020 (3) | −0.003 (2) | 0.001 (2) | −0.008 (2) |
| C24 | 0.017 (3) | 0.018 (3) | 0.033 (3) | −0.005 (2) | 0.001 (2) | −0.009 (2) |
| C25 | 0.023 (3) | 0.023 (3) | 0.025 (3) | 0.002 (2) | −0.003 (2) | −0.012 (2) |
| Cl1 | 0.0301 (7) | 0.0203 (7) | 0.0229 (7) | 0.0008 (5) | −0.0019 (6) | −0.0076 (5) |
| O6 | 0.110 (5) | 0.048 (3) | 0.025 (3) | 0.039 (3) | 0.012 (3) | −0.006 (2) |
| O7 | 0.058 (4) | 0.046 (3) | 0.133 (6) | −0.031 (3) | 0.002 (4) | −0.034 (4) |
| O8 | 0.053 (3) | 0.043 (3) | 0.032 (3) | 0.006 (2) | −0.018 (2) | −0.008 (2) |
| O9 | 0.041 (2) | 0.018 (2) | 0.034 (2) | 0.0019 (18) | −0.0040 (19) | −0.0081 (18) |
| O10 | 0.0179 (19) | 0.0174 (19) | 0.028 (2) | −0.0036 (15) | −0.0002 (16) | −0.0041 (16) |
| O11 | 0.0197 (19) | 0.024 (2) | 0.034 (2) | −0.0066 (16) | 0.0017 (17) | −0.0143 (18) |
| O12 | 0.025 (2) | 0.026 (2) | 0.098 (4) | −0.0120 (19) | 0.014 (2) | −0.027 (3) |
| O13 | 0.036 (2) | 0.022 (2) | 0.031 (2) | 0.0036 (18) | −0.0073 (19) | −0.0067 (18) |
| O14 | 0.032 (2) | 0.022 (2) | 0.055 (3) | −0.0050 (18) | −0.020 (2) | −0.010 (2) |
| Co1—O11 | 2.086 (4) | C12—C13 | 1.426 (9) |
| Co1—O11i | 2.086 (4) | C12—H12 | 0.9500 |
| Co1—O10 | 2.096 (4) | C13—C14 | 1.422 (9) |
| Co1—O10i | 2.096 (4) | C13—H13 | 0.9500 |
| Co1—O2i | 2.110 (4) | C14—C15 | 1.425 (8) |
| Co1—O2 | 2.110 (4) | C15—C16 | 1.380 (9) |
| N1—C6 | 1.351 (7) | C16—C17 | 1.422 (8) |
| N1—C5 | 1.350 (7) | C16—C19 | 1.503 (8) |
| N1—C7 | 1.502 (6) | C17—H17 | 0.9500 |
| N2—C24 | 1.340 (7) | C18—H18A | 0.9800 |
| N2—C20 | 1.355 (7) | C18—H18B | 0.9800 |
| N2—C19 | 1.516 (7) | C18—H18C | 0.9800 |
| O1—C1 | 1.240 (7) | C19—H19A | 0.9900 |
| O2—C1 | 1.240 (7) | C19—H19B | 0.9900 |
| O3—C18 | 1.370 (9) | C20—C21 | 1.370 (8) |
| O3—C15 | 1.389 (7) | C20—H20 | 0.9500 |
| O4—C25 | 1.222 (7) | C21—C22 | 1.388 (8) |
| O5—C25 | 1.217 (7) | C21—H21 | 0.9500 |
| C1—C2 | 1.517 (8) | C22—C23 | 1.389 (8) |
| C2—C6 | 1.379 (7) | C22—H22 | 0.9500 |
| C2—C3 | 1.386 (8) | C23—C24 | 1.384 (8) |
| C3—C4 | 1.383 (8) | C23—C25 | 1.544 (8) |
| C3—H3 | 0.9500 | C24—H24 | 0.9500 |
| C4—C5 | 1.378 (8) | Cl1—O8 | 1.410 (5) |
| C4—H4 | 0.9500 | Cl1—O7 | 1.413 (5) |
| C5—H5 | 0.9500 | Cl1—O6 | 1.423 (5) |
| C6—H6 | 0.9500 | Cl1—O9 | 1.446 (4) |
| C7—C8 | 1.509 (7) | O10—H10A | 0.84 (4) |
| C7—H7A | 0.9900 | O10—H10B | 0.85 (4) |
| C7—H7B | 0.9900 | O11—H11A | 0.87 (4) |
| C8—C17 | 1.382 (8) | O11—H11B | 0.86 (4) |
| C8—C9 | 1.424 (8) | O12—H12A | 0.83 (4) |
| C9—C10 | 1.419 (9) | O12—H12B | 0.87 (4) |
| C9—C14 | 1.421 (8) | O13—H13A | 0.86 (4) |
| C10—C11 | 1.425 (10) | O13—H13B | 0.86 (4) |
| C10—H10 | 0.9500 | O14—H14A | 0.86 (4) |
| C11—C12 | 1.402 (10) | O14—H14B | 0.86 (4) |
| C11—H11 | 0.9500 | ||
| O11—Co1—O11i | 180.0 | C13—C12—H12 | 120.5 |
| O11—Co1—O10 | 89.89 (15) | C14—C13—C12 | 120.8 (5) |
| O11i—Co1—O10 | 90.11 (15) | C14—C13—H13 | 119.6 |
| O11—Co1—O10i | 90.11 (15) | C12—C13—H13 | 119.6 |
| O11i—Co1—O10i | 89.89 (15) | C9—C14—C13 | 120.4 (5) |
| O10—Co1—O10i | 179.999 (1) | C9—C14—C15 | 119.7 (5) |
| O11—Co1—O2i | 90.63 (15) | C13—C14—C15 | 119.8 (5) |
| O11i—Co1—O2i | 89.37 (15) | C16—C15—O3 | 123.0 (5) |
| O10—Co1—O2i | 91.78 (15) | C16—C15—C14 | 120.4 (5) |
| O10i—Co1—O2i | 88.22 (15) | O3—C15—C14 | 116.3 (6) |
| O11—Co1—O2 | 89.37 (15) | C15—C16—C17 | 119.5 (5) |
| O11i—Co1—O2 | 90.63 (15) | C15—C16—C19 | 120.9 (5) |
| O10—Co1—O2 | 88.22 (15) | C17—C16—C19 | 119.1 (6) |
| O10i—Co1—O2 | 91.78 (15) | C8—C17—C16 | 121.6 (6) |
| O2i—Co1—O2 | 179.998 (1) | C8—C17—H17 | 119.2 |
| C6—N1—C5 | 121.2 (4) | C16—C17—H17 | 119.2 |
| C6—N1—C7 | 119.1 (4) | O3—C18—H18A | 109.5 |
| C5—N1—C7 | 119.6 (4) | O3—C18—H18B | 109.5 |
| C24—N2—C20 | 120.7 (5) | H18A—C18—H18B | 109.5 |
| C24—N2—C19 | 122.8 (4) | O3—C18—H18C | 109.5 |
| C20—N2—C19 | 116.5 (4) | H18A—C18—H18C | 109.5 |
| C1—O2—Co1 | 127.1 (4) | H18B—C18—H18C | 109.5 |
| C18—O3—C15 | 117.9 (6) | C16—C19—N2 | 115.7 (4) |
| O2—C1—O1 | 126.4 (5) | C16—C19—H19A | 108.3 |
| O2—C1—C2 | 116.4 (5) | N2—C19—H19A | 108.3 |
| O1—C1—C2 | 117.2 (5) | C16—C19—H19B | 108.3 |
| C6—C2—C3 | 118.9 (5) | N2—C19—H19B | 108.3 |
| C6—C2—C1 | 120.1 (5) | H19A—C19—H19B | 107.4 |
| C3—C2—C1 | 121.0 (5) | N2—C20—C21 | 120.3 (5) |
| C4—C3—C2 | 119.6 (5) | N2—C20—H20 | 119.8 |
| C4—C3—H3 | 120.2 | C21—C20—H20 | 119.8 |
| C2—C3—H3 | 120.2 | C20—C21—C22 | 119.6 (5) |
| C5—C4—C3 | 119.8 (5) | C20—C21—H21 | 120.2 |
| C5—C4—H4 | 120.1 | C22—C21—H21 | 120.2 |
| C3—C4—H4 | 120.1 | C21—C22—C23 | 119.7 (5) |
| N1—C5—C4 | 119.8 (5) | C21—C22—H22 | 120.1 |
| N1—C5—H5 | 120.1 | C23—C22—H22 | 120.1 |
| C4—C5—H5 | 120.1 | C24—C23—C22 | 118.2 (5) |
| N1—C6—C2 | 120.6 (5) | C24—C23—C25 | 119.7 (5) |
| N1—C6—H6 | 119.7 | C22—C23—C25 | 122.1 (5) |
| C2—C6—H6 | 119.7 | N2—C24—C23 | 121.4 (5) |
| N1—C7—C8 | 114.6 (4) | N2—C24—H24 | 119.3 |
| N1—C7—H7A | 108.6 | C23—C24—H24 | 119.3 |
| C8—C7—H7A | 108.6 | O5—C25—O4 | 129.2 (5) |
| N1—C7—H7B | 108.6 | O5—C25—C23 | 115.8 (5) |
| C8—C7—H7B | 108.6 | O4—C25—C23 | 115.0 (5) |
| H7A—C7—H7B | 107.6 | O8—Cl1—O7 | 109.3 (4) |
| C17—C8—C9 | 119.5 (5) | O8—Cl1—O6 | 110.4 (3) |
| C17—C8—C7 | 118.3 (5) | O7—Cl1—O6 | 109.7 (4) |
| C9—C8—C7 | 121.7 (5) | O8—Cl1—O9 | 109.5 (3) |
| C10—C9—C14 | 117.9 (5) | O7—Cl1—O9 | 109.0 (3) |
| C10—C9—C8 | 122.8 (5) | O6—Cl1—O9 | 108.9 (3) |
| C14—C9—C8 | 119.3 (5) | Co1—O10—H10A | 116 (5) |
| C9—C10—C11 | 121.7 (5) | Co1—O10—H10B | 96 (4) |
| C9—C10—H10 | 119.1 | H10A—O10—H10B | 109 (4) |
| C11—C10—H10 | 119.1 | Co1—O11—H11A | 116 (4) |
| C12—C11—C10 | 120.0 (6) | Co1—O11—H11B | 124 (4) |
| C12—C11—H11 | 120.0 | H11A—O11—H11B | 105 (4) |
| C10—C11—H11 | 120.0 | H12A—O12—H12B | 107 (5) |
| C11—C12—C13 | 119.0 (6) | H13A—O13—H13B | 105 (4) |
| C11—C12—H12 | 120.5 | H14A—O14—H14B | 105 (4) |
| O11—Co1—O2—C1 | −107.3 (5) | C10—C9—C14—C15 | −178.3 (5) |
| O11i—Co1—O2—C1 | 72.7 (5) | C8—C9—C14—C15 | −0.2 (7) |
| O10—Co1—O2—C1 | 162.8 (5) | C12—C13—C14—C9 | 3.4 (8) |
| O10i—Co1—O2—C1 | −17.2 (5) | C12—C13—C14—C15 | −178.5 (5) |
| O2i—Co1—O2—C1 | 40 (29) | C18—O3—C15—C16 | −84.6 (8) |
| Co1—O2—C1—O1 | −4.0 (10) | C18—O3—C15—C14 | 101.7 (8) |
| Co1—O2—C1—C2 | 174.9 (4) | C9—C14—C15—C16 | −0.8 (8) |
| O2—C1—C2—C6 | 173.3 (5) | C13—C14—C15—C16 | −178.9 (5) |
| O1—C1—C2—C6 | −7.7 (9) | C9—C14—C15—O3 | 173.1 (5) |
| O2—C1—C2—C3 | −8.1 (9) | C13—C14—C15—O3 | −5.0 (7) |
| O1—C1—C2—C3 | 171.0 (7) | O3—C15—C16—C17 | −172.9 (5) |
| C6—C2—C3—C4 | 1.2 (9) | C14—C15—C16—C17 | 0.6 (8) |
| C1—C2—C3—C4 | −177.5 (6) | O3—C15—C16—C19 | −1.3 (8) |
| C2—C3—C4—C5 | −0.4 (9) | C14—C15—C16—C19 | 172.2 (5) |
| C6—N1—C5—C4 | 1.7 (8) | C9—C8—C17—C16 | −1.7 (8) |
| C7—N1—C5—C4 | 178.1 (5) | C7—C8—C17—C16 | 170.2 (5) |
| C3—C4—C5—N1 | −1.1 (9) | C15—C16—C17—C8 | 0.7 (8) |
| C5—N1—C6—C2 | −1.0 (8) | C19—C16—C17—C8 | −171.1 (5) |
| C7—N1—C6—C2 | −177.4 (5) | C15—C16—C19—N2 | 92.2 (7) |
| C3—C2—C6—N1 | −0.5 (8) | C17—C16—C19—N2 | −96.1 (6) |
| C1—C2—C6—N1 | 178.2 (5) | C24—N2—C19—C16 | 16.4 (8) |
| C6—N1—C7—C8 | −61.4 (6) | C20—N2—C19—C16 | −166.5 (5) |
| C5—N1—C7—C8 | 122.1 (5) | C24—N2—C20—C21 | −2.2 (8) |
| N1—C7—C8—C17 | 114.7 (5) | C19—N2—C20—C21 | −179.3 (5) |
| N1—C7—C8—C9 | −73.6 (6) | N2—C20—C21—C22 | −0.5 (9) |
| C17—C8—C9—C10 | 179.5 (5) | C20—C21—C22—C23 | 2.6 (9) |
| C7—C8—C9—C10 | 7.8 (8) | C21—C22—C23—C24 | −2.2 (8) |
| C17—C8—C9—C14 | 1.5 (7) | C21—C22—C23—C25 | 178.1 (5) |
| C7—C8—C9—C14 | −170.2 (5) | C20—N2—C24—C23 | 2.6 (8) |
| C14—C9—C10—C11 | −4.3 (9) | C19—N2—C24—C23 | 179.6 (5) |
| C8—C9—C10—C11 | 177.6 (6) | C22—C23—C24—N2 | −0.4 (8) |
| C9—C10—C11—C12 | 5.8 (10) | C25—C23—C24—N2 | 179.3 (5) |
| C10—C11—C12—C13 | −2.5 (9) | C24—C23—C25—O5 | −166.5 (5) |
| C11—C12—C13—C14 | −2.0 (9) | C22—C23—C25—O5 | 13.3 (8) |
| C10—C9—C14—C13 | −0.2 (8) | C24—C23—C25—O4 | 14.9 (8) |
| C8—C9—C14—C13 | 177.9 (5) | C22—C23—C25—O4 | −165.4 (5) |
| Symmetry codes: (i) −x+3, −y+1, −z+1. |
| D—H···A | D—H | H···A | D···A | D—H···A |
| O10—H10A···O13ii | 0.84 (4) | 1.83 (4) | 2.665 (5) | 171 (6) |
| O10—H10B···O1i | 0.85 (4) | 1.84 (4) | 2.668 (6) | 166 (6) |
| O11—H11A···O12ii | 0.87 (4) | 1.83 (4) | 2.690 (6) | 174 (7) |
| O11—H11B···O14iii | 0.86 (4) | 1.85 (4) | 2.701 (5) | 173 (6) |
| O12—H12A···O1 | 0.83 (4) | 1.84 (5) | 2.654 (6) | 164 (8) |
| O12—H12B···O4 | 0.87 (4) | 1.91 (4) | 2.772 (6) | 173 (8) |
| O13—H13A···O5iv | 0.86 (4) | 1.94 (4) | 2.787 (6) | 172 (7) |
| O13—H13B···O9v | 0.86 (4) | 1.95 (4) | 2.815 (6) | 175 (7) |
| O13—H13B···Cl1v | 0.86 (4) | 2.69 (6) | 3.451 (4) | 147 (6) |
| O14—H14A···O4ii | 0.86 (4) | 1.88 (4) | 2.724 (6) | 165 (7) |
| O14—H14B···O5vi | 0.86 (4) | 1.98 (4) | 2.811 (6) | 160 (7) |
| Symmetry codes: (ii) −x+2, −y+1, −z+1; (i) −x+3, −y+1, −z+1; (iii) x+1, y, z; (iv) −x+2, −y, −z+1; (v) −x+1, −y, −z+1; (vi) x−1, y+1, z. |
| D—H···A | D—H | H···A | D···A | D—H···A |
| O10—H10A···O13i | 0.84 (4) | 1.83 (4) | 2.665 (5) | 171 (6) |
| O10—H10B···O1ii | 0.85 (4) | 1.84 (4) | 2.668 (6) | 166 (6) |
| O11—H11A···O12i | 0.87 (4) | 1.83 (4) | 2.690 (6) | 174 (7) |
| O11—H11B···O14iii | 0.86 (4) | 1.85 (4) | 2.701 (5) | 173 (6) |
| O12—H12A···O1 | 0.83 (4) | 1.84 (5) | 2.654 (6) | 164 (8) |
| O12—H12B···O4 | 0.87 (4) | 1.91 (4) | 2.772 (6) | 173 (8) |
| O13—H13A···O5iv | 0.86 (4) | 1.94 (4) | 2.787 (6) | 172 (7) |
| O13—H13B···O9v | 0.86 (4) | 1.95 (4) | 2.815 (6) | 175 (7) |
| O13—H13B···Cl1v | 0.86 (4) | 2.69 (6) | 3.451 (4) | 147 (6) |
| O14—H14A···O4i | 0.86 (4) | 1.88 (4) | 2.724 (6) | 165 (7) |
| O14—H14B···O5vi | 0.86 (4) | 1.98 (4) | 2.811 (6) | 160 (7) |
| Symmetry codes: (i) −x+2, −y+1, −z+1; (ii) −x+3, −y+1, −z+1; (iii) x+1, y, z; (iv) −x+2, −y, −z+1; (v) −x+1, −y, −z+1; (vi) x−1, y+1, z. |
Jacobson, R. (1998). Private communication to the Rigaku Corporation, Tokyo, Japan.
Li, H.-S., Li, S.-L. & Hou, J.-F. (2006). Acta Cryst. E62, m2143–m2144.
Rigaku (2002). CrystalClear and CrystalStructure. Rigaku Corporation, Tokyo, Japan.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112–122.
Recently, corrdination chemistry becomes more and more important in the structural design of supramolecular chemistry. The deprotonated carboxyl group, which easily coordinated to metal atoms and can be used to prepare soluble metal complexes. During the synthesis of polymeric complexes using 3-methoxyl-1,3-pyridinium-3-carboxylate (L) as bridging ligand, to our surprise, the title monomeric Co complex was obtained.
As shown in Fig. 1, the stucture of the title compound, (I), four water molecules and two monodentate carboxylate groups from L ligands corrdinate to Co. the other three water molecules and carboxylate group of the ligand L and the perchlorate anion are free from corrdination.
For related literature, see: Li et al. (2006).