supplementary materials

catena-Poly[[bis(4,4'-bipyridine-
N)cobalt(II)]-
3-(4,4'-dicarboxybiphenyl-3,3'-dicarboxylato-
4O3,O3':O3'':O3''')]
In the title compound, [Co(C16H8O8)(C10H8N2)2]n, the CoII atom exhibits a distorted octahedral geometry defined by four O atoms from three 4,4'-dicarboxybiphenyl-3,3'-dicarboxylate ligands and two N atoms from two 4,4'-bipyridine ligands. In the crystal structure, one-dimensional molecular chains are connected by O-H
N hydrogen bonds, forming a two-dimensional supramolecular network.
The title compound was prepared by a hydrothermal method. A mixture of Co(NO3)2·6H2O (0.115 g, 0.5 mmol), biphenyl-3,3',4,4'-tetracarboxylic acid (0.165 g, 0.5 mmol), 4,4'-bipyridine (0.125 g, 0.8 mmol) and water (10 ml) was stirred for 20 min and then transferred to a 23 ml Teflon-lined reactor. The reactor was kept at 433 K for 120 h under autogenous pressure. Single crystals of the title compound were obtained after cooling to room temperature.
H atoms were positioned geometrically and refined as riding atoms, with C—H = 0.93Å and O—H = 0.82 Å, and with Uiso(H) = 1.2Ueq(C) and Uiso(H) = 1.5Ueq(O).
Data collection: SMART (Bruker, 1997); cell refinement: SAINT (Bruker, 1999); data reduction: SAINT (Bruker, 1999); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: SHELXTL-Plus (Siemens, 1990); software used to prepare material for publication: SHELXL97 (Sheldrick, 1997).
catena-Poly[[bis(4,4'-bipyridine-
κN)cobalt(II)]- µ
3-4,4'-dicarboxybiphenyl-3,3'-dicarboxylato-
κ4O3,
O3':
O3'':
O3''')]
top
Crystal data top
| [Co(C16H8O8)(C10H8N2)2] | Z = 2 |
| Mr = 699.52 | F000 = 718 |
| Triclinic, P1 | Dx = 1.561 Mg m−3 |
| Hall symbol: -P 1 | Mo Kα radiation λ = 0.71069 Å |
| a = 11.045 (2) Å | Cell parameters from 14754 reflections |
| b = 11.361 (2) Å | θ = 3.2–27.5º |
| c = 12.352 (3) Å | µ = 0.64 mm−1 |
| α = 103.83 (3)º | T = 298 (2) K |
| β = 93.54 (3)º | Block, purple |
| γ = 96.84 (3)º | 0.24 × 0.22 × 0.17 mm |
| V = 1487.8 (6) Å3 | |
Data collection top
Bruker SMART APEX CCD area-detector diffractometer | 6747 independent reflections |
| Radiation source: fine-focus sealed tube | 5292 reflections with I > 2σ(I) |
| Monochromator: graphite | Rint = 0.025 |
| T = 298(2) K | θmax = 27.5º |
| φ and ω scans | θmin = 3.2º |
Absorption correction: multi-scan (SADABS; Sheldrick, 1996) | h = −14→14 |
| Tmin = 0.856, Tmax = 0.898 | k = −14→14 |
| 14754 measured reflections | l = −16→16 |
Refinement top
| 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)] = 0.041 | H-atom parameters constrained |
| wR(F2) = 0.123 | w = 1/[σ2(Fo2) + (0.0823P)2 + 0.1308P] where P = (Fo2 + 2Fc2)/3 |
| S = 1.01 | (Δ/σ)max = 0.003 |
| 6747 reflections | Δρmax = 0.42 e Å−3 |
| 442 parameters | Δρmin = −0.32 e Å−3 |
| Primary atom site location: structure-invariant direct methods | Extinction correction: none |
Crystal data top
| [Co(C16H8O8)(C10H8N2)2] | γ = 96.84 (3)º |
| Mr = 699.52 | V = 1487.8 (6) Å3 |
| Triclinic, P1 | Z = 2 |
| a = 11.045 (2) Å | Mo Kα |
| b = 11.361 (2) Å | µ = 0.64 mm−1 |
| c = 12.352 (3) Å | T = 298 (2) K |
| α = 103.83 (3)º | 0.24 × 0.22 × 0.17 mm |
| β = 93.54 (3)º | |
Data collection top
Bruker SMART APEX CCD area-detector diffractometer | 6747 independent reflections |
Absorption correction: multi-scan (SADABS; Sheldrick, 1996) | 5292 reflections with I > 2σ(I) |
| Tmin = 0.856, Tmax = 0.898 | Rint = 0.025 |
| 14754 measured reflections | |
Refinement top
| R[F2 > 2σ(F2)] = 0.041 | 442 parameters |
| wR(F2) = 0.123 | H-atom parameters constrained |
| S = 1.01 | Δρmax = 0.42 e Å−3 |
| 6747 reflections | Δρmin = −0.32 e Å−3 |
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top| | x | y | z | Uiso*/Ueq | |
| Co1 | 0.15335 (3) | 0.02558 (3) | 0.13743 (2) | 0.02485 (10) | |
| C1 | −0.2712 (2) | −0.4174 (2) | 0.4984 (2) | 0.0394 (6) | |
| H1A | −0.2746 | −0.4011 | 0.5755 | 0.047* | |
| C2 | −0.1971 (2) | −0.3366 (2) | 0.4554 (2) | 0.0358 (5) | |
| H2A | −0.1517 | −0.2675 | 0.5033 | 0.043* | |
| C3 | −0.1905 (2) | −0.3584 (2) | 0.34135 (19) | 0.0305 (5) | |
| C4 | −0.2601 (3) | −0.4642 (2) | 0.2740 (2) | 0.0408 (6) | |
| H4A | −0.2581 | −0.4832 | 0.1967 | 0.049* | |
| C5 | −0.3324 (3) | −0.5404 (2) | 0.3241 (2) | 0.0445 (6) | |
| H5A | −0.3789 | −0.6104 | 0.2786 | 0.053* | |
| C6 | −0.0178 (2) | −0.0684 (2) | 0.2993 (2) | 0.0326 (5) | |
| H6A | 0.0000 | 0.0132 | 0.3387 | 0.039* | |
| C7 | −0.0854 (2) | −0.1485 (2) | 0.3482 (2) | 0.0343 (5) | |
| H7A | −0.1114 | −0.1206 | 0.4189 | 0.041* | |
| C8 | −0.1146 (2) | −0.2714 (2) | 0.29093 (19) | 0.0300 (5) | |
| C9 | −0.0714 (3) | −0.3060 (2) | 0.1874 (2) | 0.0411 (6) | |
| H9A | −0.0875 | −0.3872 | 0.1464 | 0.049* | |
| C10 | −0.0039 (2) | −0.2195 (2) | 0.1442 (2) | 0.0379 (6) | |
| H10A | 0.0236 | −0.2450 | 0.0738 | 0.046* | |
| C11 | 0.4115 (2) | 0.1192 (3) | 0.0882 (2) | 0.0438 (6) | |
| H11A | 0.4308 | 0.0591 | 0.1234 | 0.053* | |
| C12 | 0.5048 (2) | 0.1784 (3) | 0.0424 (2) | 0.0445 (6) | |
| H12A | 0.5838 | 0.1583 | 0.0471 | 0.053* | |
| C13 | 0.4781 (2) | 0.2676 (2) | −0.0102 (2) | 0.0361 (5) | |
| C14 | 0.3604 (3) | 0.2964 (3) | −0.0087 (3) | 0.0567 (9) | |
| H14A | 0.3396 | 0.3588 | −0.0401 | 0.068* | |
| C15 | 0.2728 (3) | 0.2327 (3) | 0.0393 (3) | 0.0510 (7) | |
| H15A | 0.1941 | 0.2540 | 0.0393 | 0.061* | |
| C16 | 0.7799 (3) | 0.4056 (3) | −0.0840 (3) | 0.0499 (7) | |
| H16A | 0.8623 | 0.4185 | −0.0576 | 0.060* | |
| C17 | 0.6967 (3) | 0.3472 (3) | −0.0289 (3) | 0.0459 (6) | |
| H17A | 0.7230 | 0.3194 | 0.0323 | 0.055* | |
| C18 | 0.5733 (2) | 0.3304 (2) | −0.0655 (2) | 0.0366 (5) | |
| C19 | 0.5395 (3) | 0.3744 (3) | −0.1559 (2) | 0.0524 (8) | |
| H19A | 0.4574 | 0.3664 | −0.1818 | 0.063* | |
| C20 | 0.6290 (3) | 0.4308 (3) | −0.2083 (3) | 0.0584 (9) | |
| H20A | 0.6051 | 0.4600 | −0.2694 | 0.070* | |
| C21 | 0.22465 (19) | −0.14137 (19) | 0.63711 (17) | 0.0251 (4) | |
| C22 | 0.20320 (19) | −0.10850 (19) | 0.74957 (17) | 0.0252 (4) | |
| H22A | 0.2433 | −0.0351 | 0.7951 | 0.030* | |
| C23 | 0.12327 (19) | −0.18306 (19) | 0.79495 (17) | 0.0240 (4) | |
| C24 | 0.0677 (2) | −0.29749 (19) | 0.72797 (17) | 0.0260 (4) | |
| C25 | 0.0908 (2) | −0.3316 (2) | 0.61661 (19) | 0.0314 (5) | |
| H25A | 0.0546 | −0.4070 | 0.5719 | 0.038* | |
| C26 | 0.1675 (2) | −0.2542 (2) | 0.57121 (18) | 0.0298 (5) | |
| H26A | 0.1810 | −0.2777 | 0.4960 | 0.036* | |
| C27 | 0.29693 (19) | −0.05148 (19) | 0.58818 (17) | 0.0255 (4) | |
| C28 | 0.3919 (2) | 0.0341 (2) | 0.65183 (18) | 0.0303 (5) | |
| H28A | 0.4156 | 0.0310 | 0.7246 | 0.036* | |
| C29 | 0.4510 (2) | 0.1239 (2) | 0.60680 (19) | 0.0304 (5) | |
| H29A | 0.5150 | 0.1795 | 0.6494 | 0.036* | |
| C30 | 0.41605 (19) | 0.13164 (19) | 0.49935 (18) | 0.0261 (4) | |
| C31 | 0.32276 (19) | 0.04471 (19) | 0.43401 (17) | 0.0266 (4) | |
| C32 | 0.26553 (19) | −0.04591 (19) | 0.47919 (18) | 0.0269 (4) | |
| H32A | 0.2046 | −0.1043 | 0.4352 | 0.032* | |
| C33 | 0.08564 (19) | −0.13041 (17) | 0.90973 (17) | 0.0242 (4) | |
| C34 | −0.0092 (2) | −0.3814 (2) | 0.78063 (19) | 0.0312 (5) | |
| C35 | 0.4801 (2) | 0.2274 (2) | 0.4504 (2) | 0.0319 (5) | |
| C36 | 0.2723 (2) | 0.0462 (2) | 0.31868 (17) | 0.0281 (5) | |
| N1 | −0.3384 (2) | −0.51818 (19) | 0.43373 (19) | 0.0401 (5) | |
| N2 | 0.02360 (18) | −0.10141 (17) | 0.19870 (16) | 0.0293 (4) | |
| N3 | 0.29647 (18) | 0.14250 (18) | 0.08518 (16) | 0.0330 (4) | |
| N4 | 0.7468 (2) | 0.4445 (2) | −0.1744 (2) | 0.0491 (6) | |
| O1 | 0.16807 (14) | −0.09749 (14) | 0.98893 (12) | 0.0299 (3) | |
| O2 | −0.02537 (14) | −0.11935 (13) | 0.91601 (13) | 0.0291 (3) | |
| O3 | 0.01081 (18) | −0.38419 (15) | 0.87748 (14) | 0.0411 (4) | |
| O4 | −0.09660 (19) | −0.45426 (19) | 0.71183 (16) | 0.0562 (6) | |
| H1 | −0.1328 | −0.5005 | 0.7447 | 0.084* | |
| O5 | 0.54844 (18) | 0.31614 (16) | 0.52605 (15) | 0.0448 (5) | |
| H2 | 0.5974 | 0.3535 | 0.4947 | 0.067* | |
| O6 | 0.47072 (19) | 0.22331 (17) | 0.35211 (15) | 0.0484 (5) | |
| O7 | 0.29338 (16) | −0.03486 (15) | 0.23673 (13) | 0.0345 (4) | |
| O8 | 0.19877 (15) | 0.12079 (14) | 0.30946 (13) | 0.0327 (4) | |
Atomic displacement parameters (Å2) top| | U11 | U22 | U33 | U12 | U13 | U23 |
| Co1 | 0.02672 (17) | 0.02842 (16) | 0.02075 (16) | −0.00082 (11) | 0.00528 (11) | 0.01020 (11) |
| C1 | 0.0426 (14) | 0.0436 (13) | 0.0367 (13) | 0.0014 (11) | 0.0108 (11) | 0.0192 (11) |
| C2 | 0.0367 (13) | 0.0370 (12) | 0.0343 (13) | −0.0013 (10) | 0.0073 (10) | 0.0124 (10) |
| C3 | 0.0327 (11) | 0.0293 (10) | 0.0341 (12) | 0.0032 (9) | 0.0097 (9) | 0.0157 (9) |
| C4 | 0.0504 (15) | 0.0369 (12) | 0.0357 (13) | −0.0034 (11) | 0.0053 (11) | 0.0141 (10) |
| C5 | 0.0497 (15) | 0.0352 (12) | 0.0474 (15) | −0.0095 (12) | 0.0016 (12) | 0.0163 (11) |
| C6 | 0.0327 (12) | 0.0288 (10) | 0.0372 (13) | 0.0004 (9) | 0.0109 (10) | 0.0101 (9) |
| C7 | 0.0380 (13) | 0.0335 (11) | 0.0332 (12) | 0.0026 (10) | 0.0136 (10) | 0.0106 (9) |
| C8 | 0.0313 (11) | 0.0304 (10) | 0.0330 (12) | 0.0016 (9) | 0.0092 (9) | 0.0168 (9) |
| C9 | 0.0610 (17) | 0.0260 (11) | 0.0366 (13) | −0.0023 (11) | 0.0161 (12) | 0.0098 (9) |
| C10 | 0.0507 (15) | 0.0342 (12) | 0.0304 (12) | −0.0006 (11) | 0.0156 (11) | 0.0111 (9) |
| C11 | 0.0404 (14) | 0.0503 (15) | 0.0523 (16) | 0.0076 (12) | 0.0156 (12) | 0.0316 (13) |
| C12 | 0.0333 (13) | 0.0543 (15) | 0.0556 (17) | 0.0072 (11) | 0.0162 (12) | 0.0289 (13) |
| C13 | 0.0330 (12) | 0.0383 (12) | 0.0387 (13) | −0.0034 (10) | 0.0114 (10) | 0.0151 (10) |
| C14 | 0.0394 (15) | 0.0617 (18) | 0.089 (2) | 0.0074 (14) | 0.0188 (15) | 0.0543 (18) |
| C15 | 0.0317 (13) | 0.0573 (17) | 0.078 (2) | 0.0061 (12) | 0.0166 (13) | 0.0419 (16) |
| C16 | 0.0380 (14) | 0.0544 (16) | 0.0610 (18) | −0.0032 (13) | 0.0138 (13) | 0.0238 (14) |
| C17 | 0.0388 (14) | 0.0515 (15) | 0.0553 (17) | 0.0042 (12) | 0.0144 (12) | 0.0267 (13) |
| C18 | 0.0359 (13) | 0.0353 (12) | 0.0392 (13) | −0.0051 (10) | 0.0104 (10) | 0.0137 (10) |
| C19 | 0.0391 (14) | 0.0689 (18) | 0.0499 (17) | −0.0149 (14) | 0.0027 (12) | 0.0274 (15) |
| C20 | 0.0585 (19) | 0.075 (2) | 0.0430 (16) | −0.0173 (16) | 0.0041 (14) | 0.0294 (15) |
| C21 | 0.0247 (10) | 0.0301 (10) | 0.0243 (10) | 0.0007 (8) | 0.0081 (8) | 0.0141 (8) |
| C22 | 0.0261 (10) | 0.0278 (10) | 0.0218 (10) | −0.0016 (8) | 0.0055 (8) | 0.0081 (8) |
| C23 | 0.0238 (10) | 0.0301 (10) | 0.0206 (10) | 0.0009 (8) | 0.0053 (8) | 0.0116 (8) |
| C24 | 0.0272 (10) | 0.0268 (10) | 0.0247 (10) | −0.0029 (8) | 0.0059 (8) | 0.0103 (8) |
| C25 | 0.0359 (12) | 0.0273 (10) | 0.0279 (11) | −0.0058 (9) | 0.0064 (9) | 0.0050 (8) |
| C26 | 0.0348 (12) | 0.0334 (11) | 0.0214 (10) | −0.0007 (9) | 0.0085 (9) | 0.0082 (8) |
| C27 | 0.0253 (10) | 0.0299 (10) | 0.0240 (10) | −0.0001 (8) | 0.0099 (8) | 0.0119 (8) |
| C28 | 0.0306 (11) | 0.0393 (12) | 0.0224 (10) | −0.0016 (9) | 0.0043 (9) | 0.0133 (9) |
| C29 | 0.0291 (11) | 0.0323 (11) | 0.0286 (11) | −0.0067 (9) | 0.0027 (9) | 0.0109 (9) |
| C30 | 0.0251 (10) | 0.0289 (10) | 0.0263 (10) | −0.0013 (8) | 0.0069 (8) | 0.0119 (8) |
| C31 | 0.0261 (10) | 0.0312 (10) | 0.0243 (10) | −0.0011 (9) | 0.0076 (8) | 0.0118 (8) |
| C32 | 0.0251 (10) | 0.0318 (10) | 0.0247 (10) | −0.0035 (8) | 0.0056 (8) | 0.0115 (8) |
| C33 | 0.0298 (11) | 0.0209 (9) | 0.0249 (10) | −0.0001 (8) | 0.0100 (8) | 0.0109 (8) |
| C34 | 0.0342 (12) | 0.0288 (10) | 0.0312 (12) | −0.0026 (9) | 0.0093 (9) | 0.0103 (9) |
| C35 | 0.0285 (11) | 0.0344 (11) | 0.0349 (12) | −0.0033 (9) | 0.0074 (9) | 0.0155 (9) |
| C36 | 0.0278 (11) | 0.0338 (11) | 0.0232 (10) | −0.0081 (9) | 0.0044 (8) | 0.0136 (9) |
| N1 | 0.0394 (12) | 0.0381 (11) | 0.0468 (13) | −0.0028 (9) | 0.0088 (9) | 0.0215 (9) |
| N2 | 0.0314 (10) | 0.0299 (9) | 0.0291 (10) | 0.0013 (8) | 0.0056 (8) | 0.0130 (7) |
| N3 | 0.0318 (10) | 0.0367 (10) | 0.0327 (10) | −0.0005 (8) | 0.0078 (8) | 0.0143 (8) |
| N4 | 0.0441 (13) | 0.0528 (13) | 0.0494 (14) | −0.0132 (11) | 0.0161 (11) | 0.0174 (11) |
| O1 | 0.0298 (8) | 0.0388 (8) | 0.0208 (7) | 0.0028 (6) | 0.0047 (6) | 0.0070 (6) |
| O2 | 0.0276 (8) | 0.0310 (8) | 0.0322 (8) | 0.0037 (6) | 0.0097 (6) | 0.0134 (6) |
| O3 | 0.0549 (11) | 0.0380 (9) | 0.0319 (9) | −0.0068 (8) | 0.0074 (8) | 0.0173 (7) |
| O4 | 0.0526 (12) | 0.0673 (13) | 0.0427 (11) | −0.0335 (10) | −0.0005 (9) | 0.0235 (10) |
| O5 | 0.0527 (11) | 0.0393 (9) | 0.0391 (10) | −0.0201 (8) | 0.0045 (8) | 0.0162 (8) |
| O6 | 0.0568 (12) | 0.0530 (11) | 0.0345 (10) | −0.0184 (9) | 0.0026 (8) | 0.0222 (8) |
| O7 | 0.0388 (9) | 0.0409 (9) | 0.0245 (8) | 0.0020 (7) | 0.0055 (7) | 0.0107 (7) |
| O8 | 0.0385 (9) | 0.0331 (8) | 0.0275 (8) | 0.0018 (7) | 0.0024 (7) | 0.0108 (6) |
Geometric parameters (Å, °) top
| Co1—O2i | 2.0369 (16) | C17—C18 | 1.385 (4) |
| Co1—O1ii | 2.0519 (17) | C17—H17A | 0.9300 |
| Co1—O8 | 2.1394 (18) | C18—C19 | 1.376 (4) |
| Co1—N3 | 2.1716 (19) | C19—C20 | 1.391 (4) |
| Co1—O7 | 2.1885 (18) | C19—H19A | 0.9300 |
| Co1—N2 | 2.2072 (19) | C20—N4 | 1.321 (4) |
| Co1—C36 | 2.471 (2) | C20—H20A | 0.9300 |
| C1—N1 | 1.337 (3) | C21—C22 | 1.392 (3) |
| C1—C2 | 1.378 (3) | C21—C26 | 1.396 (3) |
| C1—H1A | 0.9300 | C21—C27 | 1.485 (3) |
| C2—C3 | 1.380 (3) | C22—C23 | 1.386 (3) |
| C2—H2A | 0.9300 | C22—H22A | 0.9300 |
| C3—C4 | 1.397 (3) | C23—C24 | 1.408 (3) |
| C3—C8 | 1.494 (3) | C23—C33 | 1.506 (3) |
| C4—C5 | 1.387 (3) | C24—C25 | 1.385 (3) |
| C4—H4A | 0.9300 | C24—C34 | 1.492 (3) |
| C5—N1 | 1.324 (3) | C25—C26 | 1.386 (3) |
| C5—H5A | 0.9300 | C25—H25A | 0.9300 |
| C6—N2 | 1.335 (3) | C26—H26A | 0.9300 |
| C6—C7 | 1.381 (3) | C27—C32 | 1.387 (3) |
| C6—H6A | 0.9300 | C27—C28 | 1.397 (3) |
| C7—C8 | 1.395 (3) | C28—C29 | 1.391 (3) |
| C7—H7A | 0.9300 | C28—H28A | 0.9300 |
| C8—C9 | 1.377 (3) | C29—C30 | 1.385 (3) |
| C9—C10 | 1.390 (3) | C29—H29A | 0.9300 |
| C9—H9A | 0.9300 | C30—C31 | 1.401 (3) |
| C10—N2 | 1.339 (3) | C30—C35 | 1.494 (3) |
| C10—H10A | 0.9300 | C31—C32 | 1.391 (3) |
| C11—N3 | 1.329 (3) | C31—C36 | 1.502 (3) |
| C11—C12 | 1.386 (3) | C32—H32A | 0.9300 |
| C11—H11A | 0.9300 | C33—O1 | 1.249 (3) |
| C12—C13 | 1.378 (3) | C33—O2 | 1.253 (3) |
| C12—H12A | 0.9300 | C34—O3 | 1.212 (3) |
| C13—C14 | 1.378 (4) | C34—O4 | 1.308 (3) |
| C13—C18 | 1.492 (3) | C35—O6 | 1.201 (3) |
| C14—C15 | 1.386 (4) | C35—O5 | 1.319 (3) |
| C14—H14A | 0.9300 | C36—O7 | 1.250 (3) |
| C15—N3 | 1.328 (3) | C36—O8 | 1.261 (3) |
| C15—H15A | 0.9300 | O1—Co1iii | 2.0519 (17) |
| C16—N4 | 1.342 (4) | O2—Co1i | 2.0369 (16) |
| C16—C17 | 1.378 (3) | O4—H1 | 0.8200 |
| C16—H16A | 0.9300 | O5—H2 | 0.8200 |
| | | |
| O2i—Co1—O1ii | 99.25 (7) | C19—C18—C13 | 119.9 (2) |
| O2i—Co1—O8 | 103.34 (7) | C17—C18—C13 | 122.2 (2) |
| O1ii—Co1—O8 | 157.16 (7) | C18—C19—C20 | 119.6 (3) |
| O2i—Co1—N3 | 89.85 (7) | C18—C19—H19A | 120.2 |
| O1ii—Co1—N3 | 85.19 (7) | C20—C19—H19A | 120.2 |
| O8—Co1—N3 | 91.48 (7) | N4—C20—C19 | 122.4 (3) |
| O2i—Co1—O7 | 164.24 (6) | N4—C20—H20A | 118.8 |
| O1ii—Co1—O7 | 96.34 (7) | C19—C20—H20A | 118.8 |
| O8—Co1—O7 | 60.97 (7) | C22—C21—C26 | 118.49 (18) |
| N3—Co1—O7 | 89.13 (7) | C22—C21—C27 | 119.44 (19) |
| O2i—Co1—N2 | 96.19 (7) | C26—C21—C27 | 121.79 (19) |
| O1ii—Co1—N2 | 94.62 (7) | C23—C22—C21 | 121.28 (19) |
| O8—Co1—N2 | 86.34 (7) | C23—C22—H22A | 119.4 |
| N3—Co1—N2 | 173.91 (7) | C21—C22—H22A | 119.4 |
| O7—Co1—N2 | 84.84 (7) | C22—C23—C24 | 119.57 (19) |
| O2i—Co1—C36 | 134.01 (8) | C22—C23—C33 | 117.84 (18) |
| O1ii—Co1—C36 | 126.68 (8) | C24—C23—C33 | 122.03 (17) |
| O8—Co1—C36 | 30.67 (7) | C25—C24—C23 | 119.23 (18) |
| N3—Co1—C36 | 91.59 (7) | C25—C24—C34 | 121.77 (19) |
| O7—Co1—C36 | 30.34 (7) | C23—C24—C34 | 118.92 (19) |
| N2—Co1—C36 | 83.63 (7) | C24—C25—C26 | 120.6 (2) |
| N1—C1—C2 | 122.7 (2) | C24—C25—H25A | 119.7 |
| N1—C1—H1A | 118.6 | C26—C25—H25A | 119.7 |
| C2—C1—H1A | 118.6 | C25—C26—C21 | 120.8 (2) |
| C3—C2—C1 | 119.9 (2) | C25—C26—H26A | 119.6 |
| C3—C2—H2A | 120.1 | C21—C26—H26A | 119.6 |
| C1—C2—H2A | 120.1 | C32—C27—C28 | 118.43 (18) |
| C2—C3—C4 | 117.3 (2) | C32—C27—C21 | 119.95 (19) |
| C2—C3—C8 | 121.7 (2) | C28—C27—C21 | 121.48 (18) |
| C4—C3—C8 | 121.0 (2) | C29—C28—C27 | 120.23 (19) |
| C5—C4—C3 | 119.0 (2) | C29—C28—H28A | 119.9 |
| C5—C4—H4A | 120.5 | C27—C28—H28A | 119.9 |
| C3—C4—H4A | 120.5 | C30—C29—C28 | 121.0 (2) |
| N1—C5—C4 | 123.1 (2) | C30—C29—H29A | 119.5 |
| N1—C5—H5A | 118.5 | C28—C29—H29A | 119.5 |
| C4—C5—H5A | 118.5 | C29—C30—C31 | 119.22 (18) |
| N2—C6—C7 | 123.8 (2) | C29—C30—C35 | 121.1 (2) |
| N2—C6—H6A | 118.1 | C31—C30—C35 | 119.62 (19) |
| C7—C6—H6A | 118.1 | C32—C31—C30 | 119.32 (19) |
| C6—C7—C8 | 119.6 (2) | C32—C31—C36 | 116.05 (18) |
| C6—C7—H7A | 120.2 | C30—C31—C36 | 124.49 (17) |
| C8—C7—H7A | 120.2 | C27—C32—C31 | 121.76 (19) |
| C9—C8—C7 | 116.82 (19) | C27—C32—H32A | 119.1 |
| C9—C8—C3 | 122.9 (2) | C31—C32—H32A | 119.1 |
| C7—C8—C3 | 120.2 (2) | O1—C33—O2 | 126.0 (2) |
| C8—C9—C10 | 119.9 (2) | O1—C33—C23 | 117.37 (19) |
| C8—C9—H9A | 120.0 | O2—C33—C23 | 116.58 (19) |
| C10—C9—H9A | 120.0 | O3—C34—O4 | 123.4 (2) |
| N2—C10—C9 | 123.3 (2) | O3—C34—C24 | 122.6 (2) |
| N2—C10—H10A | 118.3 | O4—C34—C24 | 113.95 (19) |
| C9—C10—H10A | 118.3 | O6—C35—O5 | 123.6 (2) |
| N3—C11—C12 | 124.4 (2) | O6—C35—C30 | 123.3 (2) |
| N3—C11—H11A | 117.8 | O5—C35—C30 | 113.08 (19) |
| C12—C11—H11A | 117.8 | O7—C36—O8 | 122.0 (2) |
| C13—C12—C11 | 118.7 (2) | O7—C36—C31 | 119.0 (2) |
| C13—C12—H12A | 120.6 | O8—C36—C31 | 118.4 (2) |
| C11—C12—H12A | 120.6 | O7—C36—Co1 | 62.22 (12) |
| C14—C13—C12 | 117.2 (2) | O8—C36—Co1 | 59.96 (11) |
| C14—C13—C18 | 121.8 (2) | C31—C36—Co1 | 168.81 (14) |
| C12—C13—C18 | 121.1 (2) | C5—N1—C1 | 117.9 (2) |
| C13—C14—C15 | 120.2 (2) | C6—N2—C10 | 116.49 (19) |
| C13—C14—H14A | 119.9 | C6—N2—Co1 | 121.34 (15) |
| C15—C14—H14A | 119.9 | C10—N2—Co1 | 121.53 (16) |
| N3—C15—C14 | 122.8 (3) | C15—N3—C11 | 116.5 (2) |
| N3—C15—H15A | 118.6 | C15—N3—Co1 | 122.41 (17) |
| C14—C15—H15A | 118.6 | C11—N3—Co1 | 120.75 (16) |
| N4—C16—C17 | 122.6 (3) | C20—N4—C16 | 118.2 (2) |
| N4—C16—H16A | 118.7 | C33—O1—Co1iii | 124.20 (15) |
| C17—C16—H16A | 118.7 | C33—O2—Co1i | 139.83 (13) |
| C16—C17—C18 | 119.3 (3) | C34—O4—H1 | 109.2 |
| C16—C17—H17A | 120.4 | C35—O5—H2 | 109.2 |
| C18—C17—H17A | 120.4 | C36—O7—Co1 | 87.44 (14) |
| C19—C18—C17 | 117.8 (2) | C36—O8—Co1 | 89.37 (13) |
| Symmetry codes: (i) −x, −y, −z+1; (ii) x, y, z−1; (iii) x, y, z+1. |
Hydrogen-bond geometry (Å, °) top
| D—H···A | D—H | H···A | D···A | D—H···A |
| O4—H1···N4iv | 0.82 | 1.85 | 2.624 (3) | 157 |
| O5—H2···N1v | 0.82 | 1.88 | 2.655 (2) | 157 |
| Symmetry codes: (iv) x−1, y−1, z+1; (v) x+1, y+1, z. |
Table 1
Selected geometric parameters (Å, °) top| Co1—O2i | 2.0369 (16) | Co1—N3 | 2.1716 (19) |
| Co1—O1ii | 2.0519 (17) | Co1—O7 | 2.1885 (18) |
| Co1—O8 | 2.1394 (18) | Co1—N2 | 2.2072 (19) |
| | | |
| O2i—Co1—O1ii | 99.25 (7) | O8—Co1—O7 | 60.97 (7) |
| O2i—Co1—O8 | 103.34 (7) | N3—Co1—O7 | 89.13 (7) |
| O1ii—Co1—O8 | 157.16 (7) | O2i—Co1—N2 | 96.19 (7) |
| O2i—Co1—N3 | 89.85 (7) | O1ii—Co1—N2 | 94.62 (7) |
| O1ii—Co1—N3 | 85.19 (7) | O8—Co1—N2 | 86.34 (7) |
| O8—Co1—N3 | 91.48 (7) | N3—Co1—N2 | 173.91 (7) |
| O2i—Co1—O7 | 164.24 (6) | O7—Co1—N2 | 84.84 (7) |
| O1ii—Co1—O7 | 96.34 (7) | | |
| Symmetry codes: (i) −x, −y, −z+1; (ii) x, y, z−1. |
Table 2
Hydrogen-bond geometry (Å, °) top
| D—H···A | D—H | H···A | D···A | D—H···A |
| O4—H1···N4iii | 0.82 | 1.85 | 2.624 (3) | 157 |
| O5—H2···N1iv | 0.82 | 1.88 | 2.655 (2) | 157 |
| Symmetry codes: (iii) x−1, y−1, z+1; (iv) x+1, y+1, z. |
This work was financially supported by the National Natural Science Foundation of China (grant No. 20701006), the Foundation for Excellent Youth of Jilin, China (grant No. 20070103) and the Science Foundation for Young Teachers of Northeast Normal University (grant No. 20070303).
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Wang, X.-L., Qin, C., Wang, E.-B. & Xu, L. (2005). Eur. J. Inorg. Chem. pp. 3418–3421 Please provide replacement Fig. 2. Current version is black all over
Metal–carboxylate coordination polymers have emerged as an important family in the past few years (Wang et al., 2005; Hao et al., 2005). We report here the structure of the title compound. The asymmetric unit contains one CoII atom, one 4,4'-dicarboxybiphenyl-3,3'-dicarboxylate (bpdc) ligand and two 4,4'-bipyridine (4,4'-bpy) ligands. The CoII atom has a distorted octahedral coordination geometry, defined by four O atoms from the bpdc ligands and two N atoms from the 4,4'-bpy ligands. The adjacent CoII atoms are linked by the bpdc ligands to generate a one-dimensional chain running along the crystallographic c axis. In the crystal structure, the adjacent one-dimensional chains are further connected with O—H···N hydrogen bonds, forming a two-dimensional supramolecular network.