Acta Cryst. (2007). E63, m2341 [ doi:10.1107/S160053680703509X ]
![[mu]](/logos/entities/mu_rmgif.gif)
3-benzene-1,3-dicarboxylato)[2-4,4'-(propane-1,3-diyl)dipyridine]dizinc(II)]The solvothermal reaction of zinc nitrate with 4,4'-(propane-1,3-diyl)dipyridine and benzene-1,3-dicarboxylic acid in water and ethanol gave the title complex, [Zn2(C8H4O4)2(C13H14N2)]n. The structure displays distorted tetrahedral ZnO3N and square-pyramidal ZnO4N groups.
Solvothermal reactions were carried out at 150 °C for 2 d in a Teflon-lined acid digestion bomb with an internal volume of 23 ml followed by slow cooling at 6 °C/h to room temperature. A single-phase product consisting of transparent colorless crystals of was obtained from a mixture of 4,4'-(propane-1,3-diyl)dipyridine (C14H14N2, 0.0861 g), Zn(NO3)˙6H2O (0.0891 g), 1, 3-benzene dicarboxyl acid (C8H6O4, 0.0726 g), H2O (5.0 ml), ethancol (5.0 ml). Powder X-ray diffraction measurements were performed to confirm the phase purity before all chemical and physical analyses. Thermal analyses, using a Perkin- Elmer TGA7 thermal analyzer, were performed on powder samples under flowing oxygen with a heating rate of 10 °C/min. A total weight loss of 67.81% was observed from 350 to 500 °C.
H atoms were constrained to ideal geometries, with C—H = 0.93 or 0.97 Å and Uiso(H) = 1.2Ueq(C).
Data collection: APEX2 (Bruker, 2004); cell refinement: APEX2; data reduction: SAINT (Bruker, 2004); program(s) used to solve structure: SHELXS97 (Sheldrick, 1990); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: SHELXTL (Bruker, 2001); software used to prepare material for publication: SHELXTL.
![[Figure 1]](./bt2441fig1thm.gif)
| Fig. 1. ORTEP drawing of the building unit in [Zn2(C13H14N2)(C8H4O4)2]n. Thermal ellipsoids are drawn at the 50% level. |
![[Figure 2]](./bt2441fig2thm.gif)
| Fig. 2. View of [Zn2(C13H14N2)(C8H4O4)2]n along the [010] direction. |
| [Zn2(C8H4O4)2(C13H14N2)] | Z = 2 |
| Mr = 657.23 | F000 = 668 |
| Triclinic, P1 | Dx = 1.671 Mg m−3 |
| Hall symbol: -P 1 | Mo Kα radiation λ = 0.71073 Å |
| a = 9.4165 (3) Å | Cell parameters from 3205 reflections |
| b = 9.8777 (3) Å | θ = 2.4–28.1º |
| c = 15.2418 (5) Å | µ = 1.89 mm−1 |
| α = 80.7050 (10)º | T = 295 (2) K |
| β = 72.9900 (10)º | Tabular, colourless |
| γ = 75.5190 (10)º | 0.25 × 0.10 × 0.05 mm |
| V = 1306.61 (7) Å3 |
| Bruker Kappa APEXII CCD area-detector diffractometer | 6441 independent reflections |
| Radiation source: fine-focus sealed tube | 4724 reflections with I > 2σ(I) |
| Monochromator: graphite | Rint = 0.027 |
| T = 295(2) K | θmax = 28.3º |
| φ and ω scans | θmin = 1.4º |
| Absorption correction: ψ scan (SADABS; Sheldrick, 1996) | h = −11→12 |
| Tmin = 0.786, Tmax = 0.952 | k = −13→13 |
| 9800 measured reflections | l = −20→16 |
| 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)] = 0.037 | H-atom parameters constrained |
| wR(F2) = 0.106 | w = 1/[σ2(Fo2) + (0.1083P)2] where P = (Fo2 + 2Fc2)/3 |
| S = 0.90 | (Δ/σ)max = 0.016 |
| 6441 reflections | Δρmax = 0.67 e Å−3 |
| 370 parameters | Δρmin = −0.47 e Å−3 |
| Primary atom site location: structure-invariant direct methods | Extinction correction: none |
| [Zn2(C8H4O4)2(C13H14N2)] | γ = 75.5190 (10)º |
| Mr = 657.23 | V = 1306.61 (7) Å3 |
| Triclinic, P1 | Z = 2 |
| a = 9.4165 (3) Å | Mo Kα |
| b = 9.8777 (3) Å | µ = 1.89 mm−1 |
| c = 15.2418 (5) Å | T = 295 (2) K |
| α = 80.7050 (10)º | 0.25 × 0.10 × 0.05 mm |
| β = 72.9900 (10)º |
| Bruker Kappa APEXII CCD area-detector diffractometer | 6441 independent reflections |
| Absorption correction: ψ scan (SADABS; Sheldrick, 1996) | 4724 reflections with I > 2σ(I) |
| Tmin = 0.786, Tmax = 0.952 | Rint = 0.027 |
| 9800 measured reflections |
| R[F2 > 2σ(F2)] = 0.037 | 370 parameters |
| wR(F2) = 0.106 | H-atom parameters constrained |
| S = 0.90 | Δρmax = 0.67 e Å−3 |
| 6441 reflections | Δρmin = −0.47 e Å−3 |
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 | ||
| Zn1 | 0.24424 (4) | 0.91047 (3) | 0.30445 (2) | 0.03279 (10) | |
| Zn2 | 0.30801 (3) | 1.12768 (3) | 0.10530 (2) | 0.03108 (10) | |
| O1 | 0.5236 (2) | 1.0389 (2) | 0.10058 (15) | 0.0374 (5) | |
| O2 | 0.4608 (2) | 0.8956 (2) | 0.22778 (14) | 0.0370 (5) | |
| O3 | 0.1155 (2) | 1.10300 (19) | 0.32168 (15) | 0.0384 (5) | |
| O4 | 0.2380 (2) | 1.2418 (2) | 0.21163 (15) | 0.0430 (5) | |
| O5 | 0.2433 (3) | 0.7031 (2) | 0.29929 (16) | 0.0493 (6) | |
| O6 | 0.0313 (3) | 0.8241 (2) | 0.3759 (2) | 0.0635 (8) | |
| O7 | 0.2099 (2) | 0.9677 (2) | 0.12935 (19) | 0.0496 (6) | |
| O8 | 0.0359 (3) | 1.1476 (2) | 0.09523 (18) | 0.0514 (6) | |
| N1 | 0.3400 (2) | 1.2901 (2) | 0.00864 (16) | 0.0304 (5) | |
| N2 | 0.3140 (3) | 0.8916 (2) | 0.42573 (18) | 0.0366 (6) | |
| C1 | 0.5553 (3) | 0.9446 (3) | 0.1619 (2) | 0.0288 (6) | |
| C2 | 0.3959 (3) | 1.5303 (3) | −0.1078 (2) | 0.0335 (6) | |
| C3 | 0.1435 (3) | 1.2198 (3) | 0.2870 (2) | 0.0310 (6) | |
| C4 | 0.0580 (3) | 1.3460 (3) | 0.3379 (2) | 0.0316 (6) | |
| C5 | 0.7206 (3) | 0.8859 (3) | 0.15572 (19) | 0.0290 (6) | |
| C6 | 0.8239 (3) | 0.9735 (3) | 0.1293 (2) | 0.0313 (6) | |
| H6A | 0.7918 | 1.0679 | 0.1107 | 0.038* | |
| C7 | 0.9741 (3) | 0.9211 (3) | 0.1305 (2) | 0.0325 (6) | |
| C8 | 0.0772 (3) | 1.0214 (3) | 0.1158 (2) | 0.0374 (7) | |
| C9 | 0.2393 (3) | 0.9684 (3) | 0.4961 (2) | 0.0386 (7) | |
| H9A | 0.1567 | 1.0402 | 0.4894 | 0.046* | |
| C10 | 0.1208 (3) | 1.4650 (3) | 0.3214 (2) | 0.0335 (6) | |
| H10A | 0.2167 | 1.4635 | 0.2811 | 0.040* | |
| C11 | 0.0412 (3) | 1.5849 (3) | 0.3647 (2) | 0.0357 (7) | |
| C12 | 0.4767 (3) | 1.2924 (3) | −0.0497 (2) | 0.0320 (6) | |
| H12A | 0.5540 | 1.2125 | −0.0501 | 0.038* | |
| C13 | 0.4312 (4) | 1.6593 (3) | −0.1683 (2) | 0.0388 (7) | |
| H13A | 0.5396 | 1.6541 | −0.1822 | 0.047* | |
| H13B | 0.3797 | 1.7403 | −0.1341 | 0.047* | |
| C14 | 0.3868 (4) | 1.6832 (3) | −0.2583 (2) | 0.0458 (8) | |
| H14A | 0.2770 | 1.7006 | −0.2455 | 0.055* | |
| H14B | 0.4296 | 1.5994 | −0.2907 | 0.055* | |
| C15 | 0.2786 (4) | 0.9464 (3) | 0.5782 (2) | 0.0410 (7) | |
| H15A | 0.2233 | 1.0031 | 0.6253 | 0.049* | |
| C16 | 0.7711 (3) | 0.7437 (3) | 0.1791 (2) | 0.0360 (7) | |
| H16A | 0.7021 | 0.6852 | 0.1996 | 0.043* | |
| C17 | 0.2297 (3) | 1.4065 (3) | 0.0089 (2) | 0.0381 (7) | |
| H17A | 0.1340 | 1.4056 | 0.0489 | 0.046* | |
| C18 | 1.0247 (3) | 0.7780 (3) | 0.1493 (2) | 0.0413 (7) | |
| H18A | 1.1268 | 0.7414 | 0.1467 | 0.050* | |
| C19 | 0.3998 (3) | 0.8405 (3) | 0.5909 (2) | 0.0383 (7) | |
| C20 | 0.5074 (3) | 1.4081 (3) | −0.1089 (2) | 0.0346 (6) | |
| H20A | 0.6032 | 1.4045 | −0.1498 | 0.042* | |
| C21 | 0.9238 (4) | 0.6891 (3) | 0.1719 (3) | 0.0449 (8) | |
| H21A | 0.9589 | 0.5927 | 0.1823 | 0.054* | |
| C22 | 0.2527 (3) | 1.5271 (3) | −0.0475 (2) | 0.0399 (7) | |
| H22A | 0.1736 | 1.6057 | −0.0454 | 0.048* | |
| C23 | −0.1021 (4) | 1.5875 (3) | 0.4233 (3) | 0.0504 (9) | |
| H23A | −0.1569 | 1.6685 | 0.4514 | 0.061* | |
| C24 | 0.4332 (4) | 0.7888 (3) | 0.4376 (2) | 0.0486 (8) | |
| H24A | 0.4881 | 0.7343 | 0.3893 | 0.058* | |
| C25 | 0.4438 (4) | 1.8087 (3) | −0.3196 (2) | 0.0458 (8) | |
| H25A | 0.4035 | 1.8912 | −0.2858 | 0.055* | |
| H25B | 0.5538 | 1.7896 | −0.3329 | 0.055* | |
| C26 | 0.4765 (4) | 0.7614 (3) | 0.5178 (2) | 0.0489 (8) | |
| H26A | 0.5588 | 0.6886 | 0.5233 | 0.059* | |
| C27 | −0.0833 (4) | 1.3491 (3) | 0.3989 (3) | 0.0459 (8) | |
| H27A | −0.1243 | 1.2693 | 0.4124 | 0.055* | |
| C28 | −0.1645 (4) | 1.4701 (3) | 0.4403 (3) | 0.0610 (11) | |
| H28A | −0.2612 | 1.4724 | 0.4797 | 0.073* | |
| C29 | 0.1086 (4) | 0.7124 (3) | 0.3468 (2) | 0.0399 (7) |
| U11 | U22 | U33 | U12 | U13 | U23 | |
| Zn1 | 0.03078 (18) | 0.02288 (16) | 0.0417 (2) | −0.01015 (13) | −0.00201 (15) | −0.00176 (13) |
| Zn2 | 0.02863 (18) | 0.02833 (17) | 0.0366 (2) | −0.01020 (13) | −0.00876 (14) | 0.00277 (13) |
| O1 | 0.0292 (10) | 0.0389 (11) | 0.0433 (13) | −0.0121 (8) | −0.0106 (9) | 0.0084 (9) |
| O2 | 0.0273 (10) | 0.0429 (11) | 0.0391 (12) | −0.0130 (8) | −0.0049 (9) | 0.0024 (9) |
| O3 | 0.0415 (12) | 0.0244 (9) | 0.0452 (13) | −0.0114 (8) | −0.0043 (10) | 0.0013 (9) |
| O4 | 0.0519 (13) | 0.0372 (11) | 0.0392 (13) | −0.0224 (10) | 0.0025 (10) | −0.0082 (9) |
| O5 | 0.0537 (14) | 0.0450 (12) | 0.0490 (14) | −0.0304 (11) | 0.0059 (11) | −0.0095 (11) |
| O6 | 0.0561 (15) | 0.0274 (11) | 0.107 (2) | −0.0089 (11) | −0.0170 (15) | −0.0150 (13) |
| O7 | 0.0226 (10) | 0.0428 (12) | 0.0868 (19) | −0.0120 (9) | −0.0108 (11) | −0.0146 (12) |
| O8 | 0.0489 (14) | 0.0424 (12) | 0.0679 (17) | −0.0229 (10) | −0.0192 (12) | 0.0085 (11) |
| N1 | 0.0292 (12) | 0.0281 (11) | 0.0324 (13) | −0.0063 (9) | −0.0070 (10) | −0.0002 (9) |
| N2 | 0.0374 (14) | 0.0303 (12) | 0.0376 (14) | −0.0067 (10) | −0.0042 (11) | −0.0025 (10) |
| C1 | 0.0249 (13) | 0.0296 (13) | 0.0361 (16) | −0.0107 (11) | −0.0091 (12) | −0.0055 (11) |
| C2 | 0.0398 (16) | 0.0302 (14) | 0.0329 (15) | −0.0106 (12) | −0.0123 (13) | 0.0001 (11) |
| C3 | 0.0273 (14) | 0.0290 (13) | 0.0384 (16) | −0.0084 (11) | −0.0101 (12) | −0.0015 (12) |
| C4 | 0.0303 (14) | 0.0245 (13) | 0.0392 (17) | −0.0093 (11) | −0.0065 (12) | −0.0005 (11) |
| C5 | 0.0256 (13) | 0.0323 (14) | 0.0315 (15) | −0.0101 (11) | −0.0092 (11) | −0.0010 (11) |
| C6 | 0.0270 (13) | 0.0307 (13) | 0.0362 (16) | −0.0093 (11) | −0.0063 (12) | −0.0020 (11) |
| C7 | 0.0263 (14) | 0.0378 (15) | 0.0361 (16) | −0.0116 (11) | −0.0065 (12) | −0.0066 (12) |
| C8 | 0.0257 (14) | 0.0468 (17) | 0.0417 (18) | −0.0153 (12) | −0.0022 (13) | −0.0107 (14) |
| C9 | 0.0388 (16) | 0.0299 (14) | 0.0434 (18) | −0.0033 (12) | −0.0084 (14) | −0.0041 (13) |
| C10 | 0.0341 (15) | 0.0271 (13) | 0.0370 (16) | −0.0132 (11) | −0.0026 (13) | 0.0011 (12) |
| C11 | 0.0369 (16) | 0.0246 (13) | 0.0439 (18) | −0.0117 (11) | −0.0045 (13) | −0.0014 (12) |
| C12 | 0.0284 (14) | 0.0280 (13) | 0.0368 (16) | −0.0027 (11) | −0.0073 (12) | −0.0024 (11) |
| C13 | 0.0461 (18) | 0.0315 (14) | 0.0405 (18) | −0.0148 (13) | −0.0127 (14) | 0.0050 (13) |
| C14 | 0.057 (2) | 0.0438 (17) | 0.0442 (19) | −0.0259 (15) | −0.0205 (17) | 0.0104 (14) |
| C15 | 0.0496 (18) | 0.0342 (15) | 0.0372 (17) | −0.0087 (13) | −0.0072 (15) | −0.0062 (13) |
| C16 | 0.0339 (15) | 0.0327 (14) | 0.0478 (19) | −0.0138 (12) | −0.0168 (14) | −0.0003 (13) |
| C17 | 0.0267 (14) | 0.0403 (16) | 0.0392 (17) | −0.0045 (12) | −0.0001 (13) | −0.0011 (13) |
| C18 | 0.0276 (15) | 0.0423 (16) | 0.059 (2) | −0.0053 (12) | −0.0186 (15) | −0.0076 (15) |
| C19 | 0.0435 (17) | 0.0345 (15) | 0.0368 (17) | −0.0176 (13) | −0.0082 (14) | 0.0065 (13) |
| C20 | 0.0308 (15) | 0.0367 (15) | 0.0325 (16) | −0.0092 (12) | −0.0020 (12) | −0.0008 (12) |
| C21 | 0.0403 (17) | 0.0327 (15) | 0.069 (2) | −0.0052 (13) | −0.0287 (17) | −0.0048 (15) |
| C22 | 0.0340 (16) | 0.0306 (14) | 0.0487 (19) | 0.0018 (12) | −0.0089 (14) | −0.0029 (13) |
| C23 | 0.0416 (18) | 0.0315 (16) | 0.069 (2) | −0.0091 (13) | 0.0055 (17) | −0.0150 (15) |
| C24 | 0.0465 (19) | 0.0460 (18) | 0.042 (2) | 0.0059 (15) | −0.0057 (16) | −0.0095 (15) |
| C25 | 0.058 (2) | 0.0431 (17) | 0.0401 (19) | −0.0219 (15) | −0.0161 (16) | 0.0071 (14) |
| C26 | 0.0408 (18) | 0.0487 (19) | 0.046 (2) | 0.0058 (15) | −0.0097 (16) | 0.0005 (15) |
| C27 | 0.0411 (17) | 0.0290 (14) | 0.064 (2) | −0.0169 (13) | −0.0002 (16) | −0.0052 (14) |
| C28 | 0.0400 (19) | 0.0398 (18) | 0.087 (3) | −0.0165 (15) | 0.0186 (19) | −0.0128 (18) |
| C29 | 0.0487 (19) | 0.0289 (14) | 0.0449 (19) | −0.0182 (13) | −0.0102 (15) | 0.0001 (13) |
| Zn1—O3 | 1.9944 (19) | C9—H9A | 0.9300 |
| Zn1—O2 | 2.0142 (19) | C10—C11 | 1.385 (4) |
| Zn1—O5 | 2.065 (2) | C10—H10A | 0.9300 |
| Zn1—N2 | 2.103 (3) | C11—C23 | 1.380 (4) |
| Zn1—O6 | 2.283 (2) | C11—C29iii | 1.501 (4) |
| Zn1—C29 | 2.497 (3) | C12—C20 | 1.372 (4) |
| Zn2—O7 | 1.957 (2) | C12—H12A | 0.9300 |
| Zn2—O4 | 1.981 (2) | C13—C14 | 1.514 (4) |
| Zn2—O1 | 1.9848 (19) | C13—H13A | 0.9700 |
| Zn2—N1 | 2.014 (2) | C13—H13B | 0.9700 |
| Zn2—C8 | 2.595 (3) | C14—C25 | 1.537 (4) |
| O1—C1 | 1.255 (3) | C14—H14A | 0.9700 |
| O2—C1 | 1.253 (3) | C14—H14B | 0.9700 |
| O3—C3 | 1.246 (3) | C15—C19 | 1.378 (4) |
| O4—C3 | 1.256 (3) | C15—H15A | 0.9300 |
| O5—C29 | 1.252 (4) | C16—C21 | 1.382 (4) |
| O6—C29 | 1.229 (4) | C16—H16A | 0.9300 |
| O7—C8 | 1.292 (3) | C17—C22 | 1.376 (4) |
| O8—C8 | 1.227 (4) | C17—H17A | 0.9300 |
| N1—C12 | 1.336 (3) | C18—C21 | 1.385 (4) |
| N1—C17 | 1.342 (3) | C18—H18A | 0.9300 |
| N2—C9 | 1.332 (4) | C19—C26 | 1.378 (5) |
| N2—C24 | 1.347 (4) | C19—C25iv | 1.503 (4) |
| C1—C5 | 1.499 (3) | C20—H20A | 0.9300 |
| C2—C20 | 1.387 (4) | C21—H21A | 0.9300 |
| C2—C22 | 1.397 (4) | C22—H22A | 0.9300 |
| C2—C13 | 1.496 (4) | C23—C28 | 1.383 (4) |
| C3—C4 | 1.500 (4) | C23—H23A | 0.9300 |
| C4—C27 | 1.378 (4) | C24—C26 | 1.366 (5) |
| C4—C10 | 1.400 (4) | C24—H24A | 0.9300 |
| C5—C16 | 1.390 (4) | C25—C19v | 1.503 (4) |
| C5—C6 | 1.392 (3) | C25—H25A | 0.9700 |
| C6—C7 | 1.383 (4) | C25—H25B | 0.9700 |
| C6—H6A | 0.9300 | C26—H26A | 0.9300 |
| C7—C18 | 1.385 (4) | C27—C28 | 1.384 (5) |
| C7—C8i | 1.502 (4) | C27—H27A | 0.9300 |
| C8—C7ii | 1.502 (4) | C28—H28A | 0.9300 |
| C9—C15 | 1.377 (4) | C29—C11vi | 1.501 (4) |
| O3—Zn1—O2 | 117.24 (8) | C4—C10—H10A | 119.8 |
| O3—Zn1—O5 | 144.99 (9) | C23—C11—C10 | 119.6 (2) |
| O2—Zn1—O5 | 94.47 (8) | C23—C11—C29iii | 120.0 (3) |
| O3—Zn1—N2 | 94.66 (9) | C10—C11—C29iii | 120.4 (3) |
| O2—Zn1—N2 | 90.59 (9) | N1—C12—C20 | 122.6 (2) |
| O5—Zn1—N2 | 99.74 (10) | N1—C12—H12A | 118.7 |
| O3—Zn1—O6 | 88.02 (8) | C20—C12—H12A | 118.7 |
| O2—Zn1—O6 | 153.83 (8) | C2—C13—C14 | 115.5 (2) |
| O5—Zn1—O6 | 59.36 (8) | C2—C13—H13A | 108.4 |
| N2—Zn1—O6 | 94.23 (10) | C14—C13—H13A | 108.4 |
| O3—Zn1—C29 | 116.59 (9) | C2—C13—H13B | 108.4 |
| O2—Zn1—C29 | 124.47 (10) | C14—C13—H13B | 108.4 |
| O5—Zn1—C29 | 30.00 (9) | H13A—C13—H13B | 107.5 |
| N2—Zn1—C29 | 97.81 (10) | C13—C14—C25 | 111.1 (3) |
| O6—Zn1—C29 | 29.37 (9) | C13—C14—H14A | 109.4 |
| O7—Zn2—O4 | 111.71 (10) | C25—C14—H14A | 109.4 |
| O7—Zn2—O1 | 103.59 (8) | C13—C14—H14B | 109.4 |
| O4—Zn2—O1 | 104.62 (9) | C25—C14—H14B | 109.4 |
| O7—Zn2—N1 | 138.30 (10) | H14A—C14—H14B | 108.0 |
| O4—Zn2—N1 | 95.43 (9) | C19—C15—C9 | 120.1 (3) |
| O1—Zn2—N1 | 99.11 (8) | C19—C15—H15A | 119.9 |
| O7—Zn2—C8 | 28.87 (9) | C9—C15—H15A | 119.9 |
| O4—Zn2—C8 | 103.93 (9) | C21—C16—C5 | 120.1 (3) |
| O1—Zn2—C8 | 131.74 (9) | C21—C16—H16A | 120.0 |
| N1—Zn2—C8 | 115.91 (10) | C5—C16—H16A | 120.0 |
| C1—O1—Zn2 | 120.01 (17) | N1—C17—C22 | 122.6 (3) |
| C1—O2—Zn1 | 148.88 (18) | N1—C17—H17A | 118.7 |
| C3—O3—Zn1 | 130.23 (19) | C22—C17—H17A | 118.7 |
| C3—O4—Zn2 | 126.95 (18) | C7—C18—C21 | 120.3 (3) |
| C29—O5—Zn1 | 94.45 (18) | C7—C18—H18A | 119.9 |
| C29—O6—Zn1 | 84.99 (19) | C21—C18—H18A | 119.9 |
| C8—O7—Zn2 | 104.15 (18) | C15—C19—C26 | 116.5 (3) |
| C12—N1—C17 | 118.1 (2) | C15—C19—C25iv | 122.2 (3) |
| C12—N1—Zn2 | 120.91 (18) | C26—C19—C25iv | 121.2 (3) |
| C17—N1—Zn2 | 120.47 (19) | C12—C20—C2 | 120.1 (3) |
| C9—N2—C24 | 117.0 (3) | C12—C20—H20A | 119.9 |
| C9—N2—Zn1 | 123.8 (2) | C2—C20—H20A | 119.9 |
| C24—N2—Zn1 | 119.0 (2) | C16—C21—C18 | 120.0 (3) |
| O1—C1—O2 | 125.6 (2) | C16—C21—H21A | 120.0 |
| O1—C1—C5 | 117.0 (2) | C18—C21—H21A | 120.0 |
| O2—C1—C5 | 117.4 (2) | C17—C22—C2 | 119.4 (3) |
| C20—C2—C22 | 117.1 (2) | C17—C22—H22A | 120.3 |
| C20—C2—C13 | 120.4 (3) | C2—C22—H22A | 120.3 |
| C22—C2—C13 | 122.5 (3) | C11—C23—C28 | 120.2 (3) |
| O3—C3—O4 | 125.4 (3) | C11—C23—H23A | 119.9 |
| O3—C3—C4 | 118.4 (3) | C28—C23—H23A | 119.9 |
| O4—C3—C4 | 116.3 (2) | N2—C24—C26 | 122.5 (3) |
| C27—C4—C10 | 119.0 (3) | N2—C24—H24A | 118.8 |
| C27—C4—C3 | 121.5 (2) | C26—C24—H24A | 118.8 |
| C10—C4—C3 | 119.4 (3) | C19v—C25—C14 | 113.8 (3) |
| C16—C5—C6 | 119.3 (2) | C19v—C25—H25A | 108.8 |
| C16—C5—C1 | 120.1 (2) | C14—C25—H25A | 108.8 |
| C6—C5—C1 | 120.6 (2) | C19v—C25—H25B | 108.8 |
| C7—C6—C5 | 120.5 (2) | C14—C25—H25B | 108.8 |
| C7—C6—H6A | 119.8 | H25A—C25—H25B | 107.7 |
| C5—C6—H6A | 119.8 | C24—C26—C19 | 120.8 (3) |
| C6—C7—C18 | 119.4 (2) | C24—C26—H26A | 119.6 |
| C6—C7—C8i | 119.2 (2) | C19—C26—H26A | 119.6 |
| C18—C7—C8i | 121.3 (3) | C4—C27—C28 | 120.4 (3) |
| O8—C8—O7 | 122.0 (3) | C4—C27—H27A | 119.8 |
| O8—C8—C7ii | 121.9 (3) | C28—C27—H27A | 119.8 |
| O7—C8—C7ii | 116.0 (3) | C27—C28—C23 | 120.2 (3) |
| O8—C8—Zn2 | 75.05 (16) | C27—C28—H28A | 119.9 |
| O7—C8—Zn2 | 46.98 (13) | C23—C28—H28A | 119.9 |
| C7ii—C8—Zn2 | 163.0 (2) | O6—C29—O5 | 121.2 (3) |
| N2—C9—C15 | 123.1 (3) | O6—C29—C11vi | 120.4 (3) |
| N2—C9—H9A | 118.5 | O5—C29—C11vi | 118.4 (3) |
| C15—C9—H9A | 118.5 | O6—C29—Zn1 | 65.64 (16) |
| C11—C10—C4 | 120.5 (3) | O5—C29—Zn1 | 55.55 (14) |
| C11—C10—H10A | 119.8 | C11vi—C29—Zn1 | 173.8 (2) |
| Symmetry codes: (i) x+1, y, z; (ii) x−1, y, z; (iii) x, y+1, z; (iv) x, y−1, z+1; (v) x, y+1, z−1; (vi) x, y−1, z. |
This research was supported by the National Science Council of the Republic of China (grant No. NSC95–2113-M-033–014-MY2) and the project of the specific research fields in Chung Yuan Christian University, Taiwan (grant No. CYCU-95-CR—CH).
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The synthesis of coordination polymers, or so-called metal-organic framework (MOF), has been a subject of intense research owing to their interesting structural chemistry and potential applications in gas storage, separation, catalysis, magnetism, luminescence. A large number of these materials have been synthesized by hydro(solvo)thermal reactions with organic pyridines and carboxyl acids (Kitagawa et al., 2004). They commonly adopt 3-D framework structures via employed metal ions as connectors and rigid or flexible organic ligands as linkers. As a further study of such complex, we report the title compound (Fig. 1) which is isotypic with [ZnCo(C13H14N2)(C8H4O4)2]n (Chen et al., 2006) (Fig. 2). All the geometric parameters are within normal ranges. The two Zn sites are four- and five-coordinated by the one N atoms of the 4,4'-(propane-1,3-diyl)dipyridines and three or four O atoms of the carboxylate anions, giving distorted tetrahedra and square pyramidal geometry.