metal-organic compounds
catena-Poly[[(dipyrido[3,2-a:2′,3′-c]phenazine)cobalt(II)]-μ-biphenyl-2,2′-dicarboxylato]
aDepartment of Chemistry, Baicheng Normal College, Baicheng 137000, People's Republic of China
*Correspondence e-mail: fangwei1026@yahoo.com.cn
In the title compound, [Co(C14H8O4)(C18H10N4)]n, the CoII atom is six-coordinated by four O atoms from two different biphenyl-2,2′-dicarboxylate ligands and two N atoms from the bidentate dipyrido[3,2-a:2′,3′-c]phenazine ligand in a distorted octahedral geometry. The CoII atoms are bridged by the biphenyl-2,2′-dicarboxylate ligands to form a one-dimensional chain structure. π–π interactions between neighbouring chains result in a two-dimensional supramolecular network (centroid-to-centroid separation = 3.381 Å).
Related literature
For related literature, see: Hao et al. (2004); Li et al. (2006); Noveron et al. (2002); Dickeson & Summers (1970); Li et al. (2007); Zhang et al. (2001).
Experimental
Crystal data
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Refinement
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Data collection: APEX2 (Bruker, 2006); cell SAINT (Bruker, 2002); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: SHELXTL-Plus (Sheldrick, 2008); software used to prepare material for publication: SHELXTL-Plus.
Supporting information
10.1107/S1600536808001827/at2538sup1.cif
contains datablocks global, I. DOI:Structure factors: contains datablock I. DOI: 10.1107/S1600536808001827/at2538Isup2.hkl
The L ligand was synthesized by the literature method of Dickeson & Summers (1970). A mixture of CoCl2.2H2O (0.3 mmol), L (0.1 mmol) and 2,6'-biphenyl dicarboxylic acid (0.3 mmol) in 30 ml of distilled water was stirred thoroughly for 1 h at ambient temperature. The pH value was adjusted to about 7.5 with NaOH aqueous solution. The suspension was sealed in a Teflon-lined stainless reaction vessel (40 ml) and heated at 443 K for 5 days. The vessel was cooled slowly to room temperature at a rate of 10 K h-1 before opening and yellow crystals of (I) were collected.
All H atoms were placed geometrically (C—H = 0.93 Å) and refined as riding with Uiso(H)= 1.2Ueq(carrier).
Data collection: APEX2 (Bruker, 2006); cell
SAINT (Bruker, 2002); data reduction: SAINT (Bruker, 2002); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: SHELXTL-Plus (Sheldrick, 2008); software used to prepare material for publication: SHELXTL-Plus (Sheldrick, 2008).[Co(C14H8O4)(C18H10N4)] | F(000) = 1188.0 |
Mr = 581.43 | Dx = 1.553 Mg m−3 |
Monoclinic, P21/c | Mo Kα radiation, λ = 0.71073 Å |
Hall symbol: -P 2ybc | Cell parameters from 2096 reflections |
a = 9.311 (4) Å | θ = 2.3–26.0° |
b = 12.521 (5) Å | µ = 0.74 mm−1 |
c = 21.831 (10) Å | T = 293 K |
β = 102.31° | Block, amethyst |
V = 2486.5 (19) Å3 | 0.44 × 0.11 × 0.07 mm |
Z = 4 |
Bruker APEXII diffractometer | 5022 independent reflections |
Radiation source: fine-focus sealed tube | 1796 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.085 |
Detector resolution: 0 pixels mm-1 | θmax = 26.2°, θmin = 1.9° |
not measured scans | h = −9→11 |
Absorption correction: multi-scan (SADABS; Bruker, 2002) | k = −15→15 |
Tmin = 0.904, Tmax = 0.951 | l = −27→18 |
13141 measured reflections |
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)] = 0.048 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.085 | H-atom parameters constrained |
S = 0.87 | w = 1/[σ2(Fo2) + (0.002P)2] where P = (Fo2 + 2Fc2)/3 |
5022 reflections | (Δ/σ)max = 0.001 |
370 parameters | Δρmax = 0.92 e Å−3 |
0 restraints | Δρmin = −0.30 e Å−3 |
[Co(C14H8O4)(C18H10N4)] | V = 2486.5 (19) Å3 |
Mr = 581.43 | Z = 4 |
Monoclinic, P21/c | Mo Kα radiation |
a = 9.311 (4) Å | µ = 0.74 mm−1 |
b = 12.521 (5) Å | T = 293 K |
c = 21.831 (10) Å | 0.44 × 0.11 × 0.07 mm |
β = 102.31° |
Bruker APEXII diffractometer | 5022 independent reflections |
Absorption correction: multi-scan (SADABS; Bruker, 2002) | 1796 reflections with I > 2σ(I) |
Tmin = 0.904, Tmax = 0.951 | Rint = 0.085 |
13141 measured reflections |
R[F2 > 2σ(F2)] = 0.048 | 0 restraints |
wR(F2) = 0.085 | H-atom parameters constrained |
S = 0.87 | Δρmax = 0.92 e Å−3 |
5022 reflections | Δρmin = −0.30 e Å−3 |
370 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 | 0.02037 (7) | 0.27680 (5) | 0.19183 (3) | 0.0511 (2) | |
O1 | 0.1414 (3) | 0.2191 (3) | 0.27808 (13) | 0.0644 (10) | |
O2 | −0.0977 (3) | 0.2343 (2) | 0.26292 (13) | 0.0526 (9) | |
N2 | 0.0064 (4) | 0.1293 (3) | 0.14589 (18) | 0.0486 (11) | |
C5 | −0.3420 (5) | 0.1185 (4) | −0.0118 (2) | 0.0458 (13) | |
N1 | −0.1583 (4) | 0.3017 (3) | 0.11521 (17) | 0.0496 (11) | |
C4 | −0.3106 (5) | 0.2151 (4) | 0.0256 (2) | 0.0455 (13) | |
C12 | −0.2475 (5) | 0.0282 (4) | 0.0016 (2) | 0.0449 (13) | |
N4 | −0.4625 (4) | 0.1169 (3) | −0.05836 (18) | 0.0521 (12) | |
C13 | −0.1245 (5) | 0.0309 (4) | 0.0561 (2) | 0.0454 (13) | |
N3 | −0.2692 (4) | −0.0605 (3) | −0.03208 (19) | 0.0512 (11) | |
C18 | −0.1927 (5) | 0.2156 (4) | 0.0769 (2) | 0.0436 (12) | |
C17 | −0.1001 (5) | 0.1222 (4) | 0.0925 (2) | 0.0422 (13) | |
C19 | 0.0254 (5) | 0.2107 (4) | 0.2984 (2) | 0.0457 (13) | |
C6 | −0.4883 (5) | 0.0253 (5) | −0.0920 (2) | 0.0519 (14) | |
C20 | 0.0350 (5) | 0.1783 (3) | 0.3653 (2) | 0.0395 (12) | |
C31 | −0.2806 (5) | 0.0171 (4) | 0.3290 (2) | 0.0454 (13) | |
C26 | −0.2356 (5) | 0.1185 (4) | 0.3516 (2) | 0.0461 (13) | |
C11 | −0.3907 (6) | −0.0624 (4) | −0.0800 (2) | 0.0526 (14) | |
C23 | 0.0737 (5) | 0.1393 (4) | 0.4925 (2) | 0.0661 (16) | |
H23A | 0.0846 | 0.1279 | 0.5354 | 0.079* | |
C21 | 0.1700 (5) | 0.1932 (3) | 0.4056 (2) | 0.0498 (14) | |
H21A | 0.2490 | 0.2170 | 0.3894 | 0.060* | |
C3 | −0.3955 (5) | 0.3080 (4) | 0.0141 (2) | 0.0569 (15) | |
H3B | −0.4744 | 0.3108 | −0.0201 | 0.068* | |
C25 | −0.0827 (5) | 0.1402 (4) | 0.3883 (2) | 0.0454 (13) | |
C24 | −0.0610 (5) | 0.1215 (4) | 0.4522 (2) | 0.0587 (15) | |
H24A | −0.1390 | 0.0963 | 0.4686 | 0.070* | |
C30 | −0.4302 (6) | −0.0057 (4) | 0.3079 (2) | 0.0628 (16) | |
H30A | −0.4597 | −0.0743 | 0.2944 | 0.075* | |
C7 | −0.6179 (5) | 0.0173 (4) | −0.1408 (2) | 0.0602 (16) | |
H7A | −0.6833 | 0.0743 | −0.1490 | 0.072* | |
C14 | −0.0337 (5) | −0.0574 (4) | 0.0756 (2) | 0.0569 (15) | |
H14A | −0.0458 | −0.1199 | 0.0520 | 0.068* | |
C27 | −0.3441 (6) | 0.1970 (4) | 0.3493 (2) | 0.0624 (15) | |
H27A | −0.3163 | 0.2656 | 0.3634 | 0.075* | |
C2 | −0.3632 (5) | 0.3954 (4) | 0.0528 (2) | 0.0692 (17) | |
H2B | −0.4201 | 0.4570 | 0.0460 | 0.083* | |
C16 | 0.0876 (5) | 0.0434 (5) | 0.1629 (2) | 0.0578 (15) | |
H16A | 0.1594 | 0.0471 | 0.1997 | 0.069* | |
C1 | −0.2411 (5) | 0.3880 (4) | 0.1032 (2) | 0.0574 (15) | |
H1B | −0.2174 | 0.4469 | 0.1294 | 0.069* | |
C10 | −0.4203 (6) | −0.1538 (4) | −0.1182 (3) | 0.0649 (16) | |
H10A | −0.3551 | −0.2110 | −0.1123 | 0.078* | |
C15 | 0.0737 (5) | −0.0517 (4) | 0.1299 (3) | 0.0635 (16) | |
H15A | 0.1344 | −0.1097 | 0.1438 | 0.076* | |
C22 | 0.1907 (5) | 0.1739 (4) | 0.4688 (2) | 0.0571 (15) | |
H22A | 0.2823 | 0.1840 | 0.4951 | 0.069* | |
C29 | −0.5345 (6) | 0.0734 (5) | 0.3071 (2) | 0.0678 (16) | |
H29A | −0.6337 | 0.0578 | 0.2932 | 0.081* | |
C28 | −0.4916 (6) | 0.1750 (5) | 0.3267 (2) | 0.0697 (17) | |
H28A | −0.5613 | 0.2287 | 0.3248 | 0.084* | |
C8 | −0.6444 (6) | −0.0731 (5) | −0.1747 (2) | 0.0716 (18) | |
H8A | −0.7299 | −0.0790 | −0.2055 | 0.086* | |
C9 | −0.5458 (7) | −0.1579 (5) | −0.1642 (2) | 0.0695 (17) | |
H9A | −0.5655 | −0.2188 | −0.1890 | 0.083* | |
C32 | −0.1725 (6) | −0.0692 (4) | 0.3244 (2) | 0.0483 (14) | |
O3 | −0.1965 (3) | −0.1613 (3) | 0.34207 (15) | 0.0616 (10) | |
O4 | −0.0650 (3) | −0.0519 (2) | 0.30026 (15) | 0.0594 (10) |
U11 | U22 | U33 | U12 | U13 | U23 | |
Co1 | 0.0506 (4) | 0.0622 (5) | 0.0386 (4) | −0.0010 (4) | 0.0055 (3) | 0.0012 (4) |
O1 | 0.0366 (19) | 0.114 (3) | 0.044 (2) | 0.004 (2) | 0.0134 (17) | 0.015 (2) |
O2 | 0.0424 (19) | 0.076 (2) | 0.038 (2) | 0.0024 (18) | 0.0062 (16) | 0.0077 (18) |
N2 | 0.050 (3) | 0.051 (3) | 0.043 (3) | 0.000 (2) | 0.004 (2) | 0.005 (2) |
C5 | 0.039 (3) | 0.064 (4) | 0.036 (3) | −0.006 (3) | 0.013 (3) | 0.007 (3) |
N1 | 0.048 (3) | 0.059 (3) | 0.040 (3) | 0.005 (2) | 0.006 (2) | 0.000 (2) |
C4 | 0.036 (3) | 0.060 (4) | 0.040 (3) | −0.003 (3) | 0.006 (2) | 0.002 (3) |
C12 | 0.043 (3) | 0.056 (4) | 0.038 (3) | −0.008 (3) | 0.013 (3) | 0.004 (3) |
N4 | 0.046 (3) | 0.072 (3) | 0.039 (3) | −0.008 (2) | 0.009 (2) | 0.001 (2) |
C13 | 0.042 (3) | 0.054 (4) | 0.042 (3) | −0.003 (3) | 0.014 (3) | 0.006 (3) |
N3 | 0.051 (3) | 0.060 (3) | 0.045 (3) | −0.013 (2) | 0.015 (2) | −0.006 (2) |
C18 | 0.040 (3) | 0.056 (4) | 0.036 (3) | −0.005 (3) | 0.012 (2) | 0.001 (3) |
C17 | 0.039 (3) | 0.051 (4) | 0.039 (3) | −0.005 (3) | 0.014 (3) | 0.007 (3) |
C19 | 0.047 (3) | 0.046 (3) | 0.043 (3) | −0.002 (3) | 0.007 (3) | −0.005 (3) |
C6 | 0.051 (4) | 0.066 (4) | 0.040 (4) | −0.015 (3) | 0.014 (3) | −0.002 (3) |
C20 | 0.038 (3) | 0.047 (3) | 0.031 (3) | 0.001 (3) | 0.001 (2) | 0.000 (2) |
C31 | 0.039 (3) | 0.062 (4) | 0.035 (3) | −0.001 (3) | 0.008 (3) | 0.002 (3) |
C26 | 0.039 (3) | 0.066 (4) | 0.037 (3) | 0.003 (3) | 0.014 (3) | 0.009 (3) |
C11 | 0.060 (4) | 0.063 (4) | 0.041 (4) | −0.022 (3) | 0.025 (3) | −0.004 (3) |
C23 | 0.063 (4) | 0.097 (5) | 0.035 (3) | 0.011 (4) | 0.003 (3) | 0.007 (3) |
C21 | 0.049 (3) | 0.060 (4) | 0.041 (3) | −0.003 (3) | 0.012 (3) | −0.005 (3) |
C3 | 0.042 (3) | 0.072 (4) | 0.052 (4) | 0.004 (3) | 0.001 (3) | 0.004 (3) |
C25 | 0.040 (3) | 0.055 (3) | 0.041 (3) | 0.003 (3) | 0.005 (3) | 0.001 (3) |
C24 | 0.049 (3) | 0.084 (4) | 0.043 (4) | −0.005 (3) | 0.011 (3) | 0.004 (3) |
C30 | 0.056 (4) | 0.076 (4) | 0.056 (4) | −0.003 (3) | 0.010 (3) | 0.004 (3) |
C7 | 0.052 (4) | 0.084 (5) | 0.043 (4) | −0.016 (3) | 0.009 (3) | 0.004 (3) |
C14 | 0.053 (3) | 0.062 (4) | 0.060 (4) | −0.010 (3) | 0.022 (3) | −0.002 (3) |
C27 | 0.053 (4) | 0.069 (4) | 0.067 (4) | 0.003 (3) | 0.018 (3) | 0.002 (3) |
C2 | 0.066 (4) | 0.069 (4) | 0.065 (4) | −0.002 (3) | −0.003 (3) | −0.011 (4) |
C16 | 0.051 (3) | 0.072 (4) | 0.048 (4) | 0.005 (3) | 0.007 (3) | 0.008 (4) |
C1 | 0.058 (4) | 0.057 (4) | 0.055 (4) | 0.011 (3) | 0.009 (3) | −0.014 (3) |
C10 | 0.076 (4) | 0.068 (4) | 0.058 (4) | −0.015 (3) | 0.029 (3) | −0.010 (3) |
C15 | 0.062 (4) | 0.061 (4) | 0.068 (4) | 0.001 (3) | 0.016 (3) | 0.001 (4) |
C22 | 0.047 (3) | 0.074 (4) | 0.046 (4) | 0.002 (3) | −0.001 (3) | −0.002 (3) |
C29 | 0.037 (3) | 0.103 (5) | 0.062 (4) | −0.004 (4) | 0.006 (3) | 0.006 (4) |
C28 | 0.048 (4) | 0.091 (5) | 0.073 (4) | 0.011 (4) | 0.019 (3) | 0.007 (4) |
C8 | 0.074 (5) | 0.097 (5) | 0.044 (4) | −0.028 (4) | 0.011 (3) | 0.004 (4) |
C9 | 0.090 (5) | 0.079 (5) | 0.042 (4) | −0.034 (4) | 0.019 (4) | −0.016 (3) |
C32 | 0.052 (4) | 0.056 (4) | 0.032 (3) | −0.001 (4) | −0.002 (3) | −0.007 (3) |
O3 | 0.066 (2) | 0.057 (2) | 0.070 (3) | 0.004 (2) | 0.032 (2) | 0.006 (2) |
O4 | 0.050 (2) | 0.068 (3) | 0.063 (2) | 0.003 (2) | 0.019 (2) | 0.004 (2) |
Co1—O3i | 2.087 (3) | C23—C22 | 1.372 (5) |
Co1—N2 | 2.093 (4) | C23—C24 | 1.388 (5) |
Co1—O1 | 2.105 (3) | C23—H23A | 0.9300 |
Co1—N1 | 2.115 (4) | C21—C22 | 1.374 (5) |
Co1—O2 | 2.151 (3) | C21—H21A | 0.9300 |
Co1—O4i | 2.185 (3) | C3—C2 | 1.376 (5) |
Co1—C19 | 2.460 (5) | C3—H3B | 0.9300 |
Co1—C32i | 2.463 (6) | C25—C24 | 1.386 (5) |
O1—C19 | 1.256 (4) | C24—H24A | 0.9300 |
O2—C19 | 1.274 (4) | C30—C29 | 1.384 (6) |
N2—C16 | 1.322 (5) | C30—H30A | 0.9300 |
N2—C17 | 1.363 (5) | C7—C8 | 1.346 (6) |
C5—N4 | 1.344 (5) | C7—H7A | 0.9300 |
C5—C12 | 1.424 (6) | C14—C15 | 1.381 (6) |
C5—C4 | 1.454 (6) | C14—H14A | 0.9300 |
N1—C1 | 1.322 (5) | C27—C28 | 1.384 (6) |
N1—C18 | 1.360 (5) | C27—H27A | 0.9300 |
C4—C18 | 1.391 (5) | C2—C1 | 1.406 (5) |
C4—C3 | 1.398 (5) | C2—H2B | 0.9300 |
C12—N3 | 1.323 (5) | C16—C15 | 1.383 (5) |
C12—C13 | 1.465 (5) | C16—H16A | 0.9300 |
N4—C6 | 1.355 (5) | C1—H1B | 0.9300 |
C13—C17 | 1.384 (6) | C10—C9 | 1.369 (6) |
C13—C14 | 1.402 (6) | C10—H10A | 0.9300 |
N3—C11 | 1.367 (5) | C15—H15A | 0.9300 |
C18—C17 | 1.450 (6) | C22—H22A | 0.9300 |
C19—C20 | 1.501 (6) | C29—C28 | 1.374 (6) |
C6—C11 | 1.414 (6) | C29—H29A | 0.9300 |
C6—C7 | 1.432 (6) | C28—H28A | 0.9300 |
C20—C25 | 1.384 (5) | C8—C9 | 1.390 (6) |
C20—C21 | 1.385 (5) | C8—H8A | 0.9300 |
C31—C26 | 1.394 (6) | C9—H9A | 0.9300 |
C31—C30 | 1.400 (5) | C32—O4 | 1.246 (5) |
C31—C32 | 1.494 (6) | C32—O3 | 1.252 (5) |
C26—C27 | 1.403 (5) | C32—Co1ii | 2.463 (6) |
C26—C25 | 1.502 (5) | O3—Co1ii | 2.087 (3) |
C11—C10 | 1.409 (6) | O4—Co1ii | 2.185 (3) |
O3i—Co1—N2 | 97.50 (14) | C31—C26—C27 | 117.8 (5) |
O3i—Co1—O1 | 97.66 (12) | C31—C26—C25 | 122.2 (5) |
N2—Co1—O1 | 95.31 (15) | C27—C26—C25 | 119.0 (5) |
O3i—Co1—N1 | 102.12 (13) | N3—C11—C10 | 119.5 (6) |
N2—Co1—N1 | 78.05 (16) | N3—C11—C6 | 121.5 (5) |
O1—Co1—N1 | 159.78 (13) | C10—C11—C6 | 119.0 (5) |
O3i—Co1—O2 | 155.35 (12) | C22—C23—C24 | 119.6 (5) |
N2—Co1—O2 | 97.96 (13) | C22—C23—H23A | 120.2 |
O1—Co1—O2 | 61.86 (10) | C24—C23—H23A | 120.2 |
N1—Co1—O2 | 99.79 (13) | C22—C21—C20 | 121.8 (5) |
O3i—Co1—O4i | 60.87 (12) | C22—C21—H21A | 119.1 |
N2—Co1—O4i | 153.61 (14) | C20—C21—H21A | 119.1 |
O1—Co1—O4i | 102.11 (12) | C2—C3—C4 | 120.6 (5) |
N1—Co1—O4i | 91.27 (14) | C2—C3—H3B | 119.7 |
O2—Co1—O4i | 107.67 (12) | C4—C3—H3B | 119.7 |
O3i—Co1—C19 | 127.04 (14) | C20—C25—C24 | 117.8 (4) |
N2—Co1—C19 | 98.21 (15) | C20—C25—C26 | 127.0 (4) |
O1—Co1—C19 | 30.71 (11) | C24—C25—C26 | 115.1 (4) |
N1—Co1—C19 | 130.56 (15) | C25—C24—C23 | 121.9 (5) |
O2—Co1—C19 | 31.16 (11) | C25—C24—H24A | 119.0 |
O4i—Co1—C19 | 106.91 (14) | C23—C24—H24A | 119.0 |
O3i—Co1—C32i | 30.54 (13) | C29—C30—C31 | 120.3 (5) |
N2—Co1—C32i | 126.93 (16) | C29—C30—H30A | 119.9 |
O1—Co1—C32i | 100.54 (13) | C31—C30—H30A | 119.9 |
N1—Co1—C32i | 98.65 (15) | C8—C7—C6 | 119.6 (5) |
O2—Co1—C32i | 134.08 (15) | C8—C7—H7A | 120.2 |
O4i—Co1—C32i | 30.36 (12) | C6—C7—H7A | 120.2 |
C19—Co1—C32i | 120.29 (15) | C15—C14—C13 | 120.0 (5) |
C19—O1—Co1 | 90.5 (3) | C15—C14—H14A | 120.0 |
C19—O2—Co1 | 87.9 (3) | C13—C14—H14A | 120.0 |
C16—N2—C17 | 117.1 (4) | C28—C27—C26 | 121.7 (5) |
C16—N2—Co1 | 127.6 (4) | C28—C27—H27A | 119.2 |
C17—N2—Co1 | 115.3 (3) | C26—C27—H27A | 119.2 |
N4—C5—C12 | 121.5 (5) | C3—C2—C1 | 117.6 (5) |
N4—C5—C4 | 118.2 (5) | C3—C2—H2B | 121.2 |
C12—C5—C4 | 120.3 (5) | C1—C2—H2B | 121.2 |
C1—N1—C18 | 118.4 (4) | N2—C16—C15 | 124.8 (5) |
C1—N1—Co1 | 127.2 (4) | N2—C16—H16A | 117.6 |
C18—N1—Co1 | 114.3 (3) | C15—C16—H16A | 117.6 |
C18—C4—C3 | 117.4 (5) | N1—C1—C2 | 123.3 (5) |
C18—C4—C5 | 119.0 (5) | N1—C1—H1B | 118.3 |
C3—C4—C5 | 123.5 (4) | C2—C1—H1B | 118.3 |
N3—C12—C5 | 122.5 (5) | C9—C10—C11 | 119.5 (5) |
N3—C12—C13 | 118.1 (5) | C9—C10—H10A | 120.2 |
C5—C12—C13 | 119.3 (5) | C11—C10—H10A | 120.2 |
C5—N4—C6 | 116.5 (4) | C14—C15—C16 | 117.5 (5) |
C17—C13—C14 | 117.5 (5) | C14—C15—H15A | 121.2 |
C17—C13—C12 | 119.3 (5) | C16—C15—H15A | 121.2 |
C14—C13—C12 | 123.0 (5) | C23—C22—C21 | 118.9 (4) |
C12—N3—C11 | 116.3 (4) | C23—C22—H22A | 120.6 |
N1—C18—C4 | 122.7 (5) | C21—C22—H22A | 120.6 |
N1—C18—C17 | 116.4 (4) | C28—C29—C30 | 120.1 (5) |
C4—C18—C17 | 120.9 (5) | C28—C29—H29A | 119.9 |
N2—C17—C13 | 123.1 (5) | C30—C29—H29A | 119.9 |
N2—C17—C18 | 115.9 (5) | C29—C28—C27 | 119.7 (5) |
C13—C17—C18 | 121.0 (5) | C29—C28—H28A | 120.1 |
O1—C19—O2 | 119.7 (4) | C27—C28—H28A | 120.1 |
O1—C19—C20 | 119.3 (4) | C7—C8—C9 | 121.0 (6) |
O2—C19—C20 | 120.9 (4) | C7—C8—H8A | 119.5 |
O1—C19—Co1 | 58.8 (2) | C9—C8—H8A | 119.5 |
O2—C19—Co1 | 60.9 (2) | C10—C9—C8 | 121.5 (6) |
C20—C19—Co1 | 175.4 (3) | C10—C9—H9A | 119.2 |
N4—C6—C11 | 121.6 (5) | C8—C9—H9A | 119.2 |
N4—C6—C7 | 119.1 (5) | O4—C32—O3 | 120.2 (5) |
C11—C6—C7 | 119.3 (5) | O4—C32—C31 | 121.1 (5) |
C25—C20—C21 | 119.9 (4) | O3—C32—C31 | 118.6 (5) |
C25—C20—C19 | 124.0 (4) | O4—C32—Co1ii | 62.4 (3) |
C21—C20—C19 | 116.0 (4) | O3—C32—Co1ii | 57.9 (3) |
C26—C31—C30 | 120.3 (5) | C31—C32—Co1ii | 172.7 (3) |
C26—C31—C32 | 121.8 (5) | C32—O3—Co1ii | 91.6 (3) |
C30—C31—C32 | 117.9 (5) | C32—O4—Co1ii | 87.3 (3) |
Symmetry codes: (i) −x, y+1/2, −z+1/2; (ii) −x, y−1/2, −z+1/2. |
Experimental details
Crystal data | |
Chemical formula | [Co(C14H8O4)(C18H10N4)] |
Mr | 581.43 |
Crystal system, space group | Monoclinic, P21/c |
Temperature (K) | 293 |
a, b, c (Å) | 9.311 (4), 12.521 (5), 21.831 (10) |
β (°) | 102.31 |
V (Å3) | 2486.5 (19) |
Z | 4 |
Radiation type | Mo Kα |
µ (mm−1) | 0.74 |
Crystal size (mm) | 0.44 × 0.11 × 0.07 |
Data collection | |
Diffractometer | Bruker APEXII diffractometer |
Absorption correction | Multi-scan (SADABS; Bruker, 2002) |
Tmin, Tmax | 0.904, 0.951 |
No. of measured, independent and observed [I > 2σ(I)] reflections | 13141, 5022, 1796 |
Rint | 0.085 |
(sin θ/λ)max (Å−1) | 0.622 |
Refinement | |
R[F2 > 2σ(F2)], wR(F2), S | 0.048, 0.085, 0.87 |
No. of reflections | 5022 |
No. of parameters | 370 |
H-atom treatment | H-atom parameters constrained |
Δρmax, Δρmin (e Å−3) | 0.92, −0.30 |
Computer programs: APEX2 (Bruker, 2006), SAINT (Bruker, 2002), SHELXS97 (Sheldrick, 2008), SHELXL97 (Sheldrick, 2008), SHELXTL-Plus (Sheldrick, 2008).
Co1—O3i | 2.087 (3) | Co1—N1 | 2.115 (4) |
Co1—N2 | 2.093 (4) | Co1—O2 | 2.151 (3) |
Co1—O1 | 2.105 (3) | Co1—O4i | 2.185 (3) |
N2—Co1—O1 | 95.31 (15) | N2—Co1—O2 | 97.96 (13) |
N2—Co1—N1 | 78.05 (16) | O1—Co1—O2 | 61.86 (10) |
O1—Co1—N1 | 159.78 (13) | N1—Co1—O2 | 99.79 (13) |
Symmetry code: (i) −x, y+1/2, −z+1/2. |
Acknowledgements
The authors thank Baicheng Normal College for supporting this work.
References
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This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
Metal-organic hybrid compounds have attracted considerable interest and importance in recent years, not only due to their intriguing structural motifs but also their potential applications in areas such as catalysis, medicine and host–guest chemistry (Hao et al., 2004). The chelating ligand 1,10-phenanthroline (phen) and its derivatives have been widely used in the construction of metal-organic coordination polymers (Li et al., 2006). On the other hand, carboxylate ligands have already been proven to be efficient for the generation of a helical coordination polymer (Li et al., 2007), so we reacted dipydo[3,2 - a:2',3'-c]phenazine with cobalt and biphenyl-2,2'-dicarboxylate, resulting in the title molecular complex, [Co(C14H8O4)(C18H10N4)]n, (I)
Compound (I) is a one-dimensional chain structure, which is constructed from one CoII atom, one L ligand and two biphenyl-2,2'-dicarboxylate dianion (Fig. 1). The CoII center is six-coordinated by two N atoms from the bidentate L ligand and four O atoms from two different 2,6'-biphenyl dicarboxylic acid ligands to result in a substantially distorted cis-CoN2O4 octahedron. The mean Co—O and Co—N distances are 2.112 (3) and 2.104 (4) Å, respectively. The C—O bond lengths of the 2,6'-biphenyl dicarboxylic acid groups imply electronic delocalizations of the negative charges.
Neighboring CoII atoms are bridged by the biphenyl-2,2'-dicarboxylate ligands, forming a one-dimensional chain structure as shown in (Fig. 2). Then, neighbouring chains are connected by π-π interactions, generating a two-dimensional supramolecular structure (Fig. 3). The π-π stacking distances are 3.381Å between L ligands. Similar values are seen in related structures (Noveron et al., 2002).