In the polymeric title compound, [Co(C
2O
4)(C
14H
14N
4O
2)]
n, the Co
II atom is six-coordinated by two N atoms from symmetry-related bis[(pyridin-4-yl)methyl]oxalamide (BPMO) ligands and four O atoms from two centrosymmetric oxalate anions in a distorted octahedral coordination geometry. The Co
II atoms are linked by the oxalate anions into a chain running parallel to [100]. The chains are linked by the BPMO ligands into a three-dimensional architecture. In addition, N—H

O hydrogen bonds stabilize the crystal packing.
Supporting information
CCDC reference: 1012047
Key indicators
- Single-crystal X-ray study
- T = 293 K
- Mean
(C-C) = 0.008 Å
- R factor = 0.065
- wR factor = 0.149
- Data-to-parameter ratio = 17.4
checkCIF/PLATON results
No syntax errors found
Alert level C
PLAT026_ALERT_3_C Ratio Observed / Unique Reflections too Low .... 48 %
PLAT241_ALERT_2_C High Ueq as Compared to Neighbors for ..... C14 Check
PLAT341_ALERT_3_C Low Bond Precision on C-C Bonds ............... 0.0076 Ang.
PLAT369_ALERT_2_C Long C(sp2)-C(sp2) Bond C9 - C10 ... 1.54 Ang.
PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 5.505 Check
PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 2.070 Check
Alert level G
PLAT004_ALERT_5_G Polymeric Structure Found with Dimension ....... 3 Info
PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF Please Do !
PLAT007_ALERT_5_G Number of Unrefined Donor-H Atoms .............. 2 Why ?
PLAT199_ALERT_1_G Reported _cell_measurement_temperature ..... (K) 293 Check
PLAT200_ALERT_1_G Reported _diffrn_ambient_temperature ..... (K) 293 Check
PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 57 Do !
C7 -N1 -CO1 -O2 -92.70 1.10 1.555 1.555 1.555 3.556
PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 58 Do !
C3 -N1 -CO1 -O2 84.30 1.10 1.555 1.555 1.555 3.556
PLAT910_ALERT_3_G Missing # of FCF Reflections Below Th(Min) ..... 1 Why ?
PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 128 Note
0 ALERT level A = Most likely a serious problem - resolve or explain
0 ALERT level B = A potentially serious problem, consider carefully
6 ALERT level C = Check. Ensure it is not caused by an omission or oversight
9 ALERT level G = General information/check it is not something unexpected
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
5 ALERT type 3 Indicator that the structure quality may be low
3 ALERT type 4 Improvement, methodology, query or suggestion
3 ALERT type 5 Informative message, check
The synthesis was performed under hydrothermal conditions. A mixture of
Co(CH3COO)2.4(H2O),(0.2 mmol, 0.05 g),
N,N'-Bis-pyridin-4-ylmethyl-oxalamide (0.2 mmol, 0.054 g),
sodium oxalate (0.2 mmol,0.026 g) and H2O(15 ml) in a 25 ml stainless steel
reactor with a Teflon liner was heated from 293 to 443 K in 2 h and a constant
temperature was maintained at 443 K for 72 h, after which the mixture was
cooled to 298 K. Pink crystals of (I) were recovered from the reaction.
All H atoms on C and N atoms atoms were poisitioned geometrically
and refined as riding atoms with Uiso(H) = 1.2 Ueq(C, N).
Data collection: APEX2 (Bruker, 2002); cell refinement: SAINT (Bruker, 2002); data reduction: SAINT (Bruker, 2002); program(s) used to solve structure: SHELXTL (Sheldrick, 2008); program(s) used to refine structure: SHELXTL (Sheldrick, 2008); molecular graphics: Mercury (Macrae et al., 2006); software used to prepare material for publication: SHELXTL (Sheldrick, 2008) and publCIF (Westrip, 2010).
Poly[{µ-
N,
N'-bis[(pyridin-4-yl)methyl]oxalamide}-µ-oxalato-cobalt(II)]
top
Crystal data top
[Co(C2O4)(C14H14N4O2)] | F(000) = 852 |
Mr = 417.24 | Dx = 1.581 Mg m−3 |
Monoclinic, P21/c | Mo Kα radiation, λ = 0.71073 Å |
Hall symbol: -P 2ybc | Cell parameters from 4380 reflections |
a = 8.4143 (12) Å | θ = 1.7–22.8° |
b = 24.421 (4) Å | µ = 1.02 mm−1 |
c = 9.2884 (14) Å | T = 293 K |
β = 113.322 (2)° | Block, pink |
V = 1752.7 (4) Å3 | 0.43 × 0.25 × 0.25 mm |
Z = 4 | |
Data collection top
Bruker SMART APEXII CCD diffractometer | 4254 independent reflections |
Radiation source: fine-focus sealed tube | 2027 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.085 |
phi and ω scans | θmax = 28.4°, θmin = 2.5° |
Absorption correction: multi-scan (SADABS; Sheldrick, 1996) | h = −11→10 |
Tmin = 0.740, Tmax = 0.785 | k = −32→32 |
11121 measured reflections | l = −12→10 |
Refinement top
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)] = 0.065 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.149 | H-atom parameters constrained |
S = 0.98 | w = 1/[σ2(Fo2) + (0.0591P)2] where P = (Fo2 + 2Fc2)/3 |
4254 reflections | (Δ/σ)max < 0.001 |
244 parameters | Δρmax = 0.49 e Å−3 |
0 restraints | Δρmin = −0.39 e Å−3 |
Crystal data top
[Co(C2O4)(C14H14N4O2)] | V = 1752.7 (4) Å3 |
Mr = 417.24 | Z = 4 |
Monoclinic, P21/c | Mo Kα radiation |
a = 8.4143 (12) Å | µ = 1.02 mm−1 |
b = 24.421 (4) Å | T = 293 K |
c = 9.2884 (14) Å | 0.43 × 0.25 × 0.25 mm |
β = 113.322 (2)° | |
Data collection top
Bruker SMART APEXII CCD diffractometer | 4254 independent reflections |
Absorption correction: multi-scan (SADABS; Sheldrick, 1996) | 2027 reflections with I > 2σ(I) |
Tmin = 0.740, Tmax = 0.785 | Rint = 0.085 |
11121 measured reflections | |
Refinement top
R[F2 > 2σ(F2)] = 0.065 | 0 restraints |
wR(F2) = 0.149 | H-atom parameters constrained |
S = 0.98 | Δρmax = 0.49 e Å−3 |
4254 reflections | Δρmin = −0.39 e Å−3 |
244 parameters | |
Special details top
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. |
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top | x | y | z | Uiso*/Ueq | |
C1 | 0.5475 (6) | 0.02677 (18) | 0.5426 (6) | 0.0391 (12) | |
C2 | −0.0727 (6) | 0.00051 (18) | 0.4182 (6) | 0.0373 (11) | |
C3 | 0.0325 (7) | 0.0938 (2) | 0.0435 (7) | 0.0588 (15) | |
H3A | −0.0628 | 0.0983 | 0.0692 | 0.071* | |
C4 | 0.0141 (7) | 0.1061 (2) | −0.1055 (7) | 0.0644 (16) | |
H4 | −0.0906 | 0.1187 | −0.1797 | 0.077* | |
C5 | 0.1578 (7) | 0.0990 (2) | −0.1424 (6) | 0.0553 (15) | |
H5 | 0.1507 | 0.1079 | −0.2422 | 0.066* | |
C6 | 0.3094 (6) | 0.07904 (17) | −0.0329 (6) | 0.0358 (11) | |
C7 | 0.3141 (6) | 0.06856 (18) | 0.1129 (6) | 0.0413 (12) | |
H7 | 0.4172 | 0.0555 | 0.1884 | 0.050* | |
C8 | 0.4646 (6) | 0.06836 (16) | −0.0724 (6) | 0.0398 (12) | |
H8A | 0.5578 | 0.0537 | 0.0195 | 0.048* | |
H8B | 0.4343 | 0.0409 | −0.1543 | 0.048* | |
C9 | 0.5876 (6) | 0.15839 (19) | −0.0278 (6) | 0.0372 (11) | |
C10 | 0.6436 (5) | 0.20856 (18) | −0.0958 (6) | 0.0353 (11) | |
C11 | 0.7359 (6) | 0.30333 (18) | −0.0376 (6) | 0.0411 (12) | |
H11A | 0.7224 | 0.3306 | 0.0328 | 0.049* | |
H11B | 0.6576 | 0.3130 | −0.1432 | 0.049* | |
C12 | 0.9189 (6) | 0.30606 (19) | −0.0279 (5) | 0.0396 (12) | |
C13 | 1.0379 (7) | 0.2660 (2) | 0.0275 (7) | 0.0700 (18) | |
H13 | 1.0094 | 0.2334 | 0.0632 | 0.084* | |
C14 | 1.2033 (7) | 0.2734 (2) | 0.0312 (8) | 0.083 (2) | |
H14 | 1.2859 | 0.2458 | 0.0666 | 0.100* | |
C15 | 1.2411 (7) | 0.3229 (2) | −0.0193 (7) | 0.0631 (16) | |
H15 | 1.3517 | 0.3281 | −0.0165 | 0.076* | |
C16 | 0.9683 (6) | 0.35427 (19) | −0.0767 (6) | 0.0431 (12) | |
H16 | 0.8861 | 0.3819 | −0.1153 | 0.052* | |
N1 | 0.1806 (5) | 0.07571 (16) | 0.1551 (5) | 0.0455 (11) | |
N2 | 0.5257 (5) | 0.11716 (15) | −0.1243 (4) | 0.0403 (10) | |
H2 | 0.5213 | 0.1190 | −0.2183 | 0.048* | |
N3 | 0.6855 (4) | 0.25082 (15) | 0.0010 (4) | 0.0423 (10) | |
H3 | 0.6826 | 0.2467 | 0.0918 | 0.051* | |
N4 | 1.1276 (5) | 0.36374 (16) | −0.0717 (5) | 0.0439 (10) | |
O1 | −0.0491 (4) | 0.02611 (12) | 0.3106 (4) | 0.0434 (8) | |
O2 | −0.2077 (4) | −0.02540 (13) | 0.4033 (4) | 0.0503 (9) | |
O3 | 0.4618 (4) | 0.07115 (12) | 0.5055 (4) | 0.0446 (9) | |
O4 | 0.6991 (4) | 0.02217 (12) | 0.6401 (4) | 0.0494 (9) | |
O5 | 0.5999 (5) | 0.15868 (13) | 0.1070 (4) | 0.0612 (11) | |
O6 | 0.6455 (4) | 0.20801 (12) | −0.2267 (4) | 0.0464 (8) | |
Co1 | 0.20072 (8) | 0.05586 (2) | 0.38091 (8) | 0.0405 (2) | |
Atomic displacement parameters (Å2) top | U11 | U22 | U33 | U12 | U13 | U23 |
C1 | 0.035 (3) | 0.043 (3) | 0.049 (3) | 0.003 (2) | 0.026 (3) | −0.001 (2) |
C2 | 0.034 (3) | 0.033 (2) | 0.051 (3) | 0.002 (2) | 0.023 (2) | −0.008 (2) |
C3 | 0.050 (4) | 0.067 (4) | 0.068 (4) | 0.013 (3) | 0.034 (3) | 0.009 (3) |
C4 | 0.043 (4) | 0.087 (4) | 0.053 (4) | 0.018 (3) | 0.009 (3) | 0.015 (3) |
C5 | 0.063 (4) | 0.061 (4) | 0.044 (4) | 0.003 (3) | 0.023 (3) | 0.001 (3) |
C6 | 0.037 (3) | 0.026 (2) | 0.043 (3) | −0.004 (2) | 0.015 (3) | −0.005 (2) |
C7 | 0.034 (3) | 0.044 (3) | 0.046 (3) | 0.006 (2) | 0.016 (2) | 0.004 (3) |
C8 | 0.053 (3) | 0.027 (2) | 0.048 (3) | −0.004 (2) | 0.029 (3) | −0.001 (2) |
C9 | 0.035 (3) | 0.041 (3) | 0.037 (3) | −0.010 (2) | 0.016 (2) | −0.002 (2) |
C10 | 0.034 (3) | 0.039 (3) | 0.038 (3) | −0.010 (2) | 0.019 (2) | −0.001 (2) |
C11 | 0.048 (3) | 0.040 (3) | 0.044 (3) | −0.010 (2) | 0.027 (3) | 0.001 (2) |
C12 | 0.043 (3) | 0.042 (3) | 0.034 (3) | −0.013 (2) | 0.016 (2) | −0.001 (2) |
C13 | 0.052 (4) | 0.045 (3) | 0.109 (6) | −0.009 (3) | 0.028 (4) | 0.015 (3) |
C14 | 0.050 (4) | 0.046 (4) | 0.142 (7) | 0.003 (3) | 0.026 (4) | 0.016 (4) |
C15 | 0.045 (3) | 0.048 (3) | 0.104 (5) | −0.003 (3) | 0.036 (3) | −0.003 (3) |
C16 | 0.039 (3) | 0.045 (3) | 0.052 (3) | −0.006 (2) | 0.024 (3) | 0.001 (3) |
N1 | 0.041 (3) | 0.047 (2) | 0.054 (3) | 0.0103 (19) | 0.024 (2) | 0.009 (2) |
N2 | 0.052 (3) | 0.041 (2) | 0.035 (2) | −0.0080 (19) | 0.026 (2) | −0.0039 (19) |
N3 | 0.052 (3) | 0.045 (2) | 0.038 (3) | −0.0204 (19) | 0.026 (2) | −0.005 (2) |
N4 | 0.039 (2) | 0.042 (2) | 0.058 (3) | −0.0088 (19) | 0.027 (2) | −0.005 (2) |
O1 | 0.040 (2) | 0.044 (2) | 0.048 (2) | 0.0012 (15) | 0.0202 (17) | 0.0061 (17) |
O2 | 0.042 (2) | 0.057 (2) | 0.055 (2) | −0.0090 (17) | 0.0222 (18) | −0.0050 (18) |
O3 | 0.0356 (19) | 0.0339 (18) | 0.070 (3) | 0.0063 (14) | 0.0269 (18) | 0.0041 (16) |
O4 | 0.037 (2) | 0.041 (2) | 0.065 (3) | 0.0040 (16) | 0.0145 (19) | −0.0052 (17) |
O5 | 0.098 (3) | 0.050 (2) | 0.044 (2) | −0.036 (2) | 0.037 (2) | −0.0086 (18) |
O6 | 0.064 (2) | 0.044 (2) | 0.041 (2) | −0.0107 (16) | 0.0318 (19) | −0.0026 (16) |
Co1 | 0.0349 (4) | 0.0385 (4) | 0.0551 (5) | 0.0057 (3) | 0.0253 (3) | 0.0030 (3) |
Geometric parameters (Å, º) top
C1—O4 | 1.243 (5) | C11—N3 | 1.440 (5) |
C1—O3 | 1.271 (5) | C11—C12 | 1.508 (6) |
C1—C1i | 1.573 (9) | C11—H11A | 0.9700 |
C2—O2 | 1.259 (5) | C11—H11B | 0.9700 |
C2—O1 | 1.260 (5) | C12—C13 | 1.348 (6) |
C2—C2ii | 1.527 (9) | C12—C16 | 1.383 (6) |
C3—N1 | 1.342 (6) | C13—C14 | 1.390 (7) |
C3—C4 | 1.363 (7) | C13—H13 | 0.9300 |
C3—H3A | 0.9300 | C14—C15 | 1.380 (7) |
C4—C5 | 1.392 (7) | C14—H14 | 0.9300 |
C4—H4 | 0.9300 | C15—N4 | 1.332 (6) |
C5—C6 | 1.369 (6) | C15—H15 | 0.9300 |
C5—H5 | 0.9300 | C16—N4 | 1.343 (5) |
C6—C7 | 1.364 (6) | C16—H16 | 0.9300 |
C6—C8 | 1.512 (6) | N1—Co1 | 2.093 (4) |
C7—N1 | 1.339 (5) | N2—H2 | 0.8600 |
C7—H7 | 0.9300 | N3—H3 | 0.8600 |
C8—N2 | 1.454 (5) | N4—Co1iii | 2.155 (4) |
C8—H8A | 0.9700 | O1—Co1 | 2.070 (3) |
C8—H8B | 0.9700 | O2—Co1ii | 2.117 (3) |
C9—O5 | 1.215 (5) | O3—Co1 | 2.072 (3) |
C9—N2 | 1.311 (5) | O4—Co1i | 2.124 (3) |
C9—C10 | 1.535 (6) | Co1—O2ii | 2.117 (3) |
C10—O6 | 1.222 (5) | Co1—O4i | 2.124 (3) |
C10—N3 | 1.322 (5) | Co1—N4iv | 2.155 (4) |
| | | |
O4—C1—O3 | 125.7 (4) | C12—C13—H13 | 120.0 |
O4—C1—C1i | 117.5 (5) | C14—C13—H13 | 120.0 |
O3—C1—C1i | 116.8 (6) | C15—C14—C13 | 117.9 (5) |
O2—C2—O1 | 125.5 (4) | C15—C14—H14 | 121.0 |
O2—C2—C2ii | 115.7 (6) | C13—C14—H14 | 121.0 |
O1—C2—C2ii | 118.8 (5) | N4—C15—C14 | 123.5 (5) |
N1—C3—C4 | 123.7 (5) | N4—C15—H15 | 118.2 |
N1—C3—H3A | 118.2 | C14—C15—H15 | 118.2 |
C4—C3—H3A | 118.2 | N4—C16—C12 | 124.1 (4) |
C3—C4—C5 | 117.5 (5) | N4—C16—H16 | 117.9 |
C3—C4—H4 | 121.2 | C12—C16—H16 | 117.9 |
C5—C4—H4 | 121.2 | C7—N1—C3 | 116.5 (5) |
C6—C5—C4 | 120.4 (5) | C7—N1—Co1 | 121.2 (3) |
C6—C5—H5 | 119.8 | C3—N1—Co1 | 122.2 (3) |
C4—C5—H5 | 119.8 | C9—N2—C8 | 120.0 (4) |
C7—C6—C5 | 117.2 (4) | C9—N2—H2 | 120.0 |
C7—C6—C8 | 121.4 (4) | C8—N2—H2 | 120.0 |
C5—C6—C8 | 121.5 (4) | C10—N3—C11 | 123.5 (4) |
N1—C7—C6 | 124.7 (5) | C10—N3—H3 | 118.3 |
N1—C7—H7 | 117.7 | C11—N3—H3 | 118.3 |
C6—C7—H7 | 117.7 | C15—N4—C16 | 116.4 (4) |
N2—C8—C6 | 113.1 (3) | C15—N4—Co1iii | 122.3 (3) |
N2—C8—H8A | 109.0 | C16—N4—Co1iii | 120.8 (3) |
C6—C8—H8A | 109.0 | C2—O1—Co1 | 112.5 (3) |
N2—C8—H8B | 109.0 | C2—O2—Co1ii | 112.7 (3) |
C6—C8—H8B | 109.0 | C1—O3—Co1 | 111.1 (3) |
H8A—C8—H8B | 107.8 | C1—O4—Co1i | 110.2 (3) |
O5—C9—N2 | 123.9 (4) | O1—Co1—O3 | 163.58 (13) |
O5—C9—C10 | 120.3 (4) | O1—Co1—N1 | 95.51 (15) |
N2—C9—C10 | 115.8 (4) | O3—Co1—N1 | 99.50 (14) |
O6—C10—N3 | 125.5 (4) | O1—Co1—O2ii | 79.59 (13) |
O6—C10—C9 | 121.8 (4) | O3—Co1—O2ii | 84.77 (12) |
N3—C10—C9 | 112.7 (4) | N1—Co1—O2ii | 172.33 (14) |
N3—C11—C12 | 114.8 (4) | O1—Co1—O4i | 92.68 (12) |
N3—C11—H11A | 108.6 | O3—Co1—O4i | 80.86 (12) |
C12—C11—H11A | 108.6 | N1—Co1—O4i | 89.62 (14) |
N3—C11—H11B | 108.6 | O2ii—Co1—O4i | 84.76 (13) |
C12—C11—H11B | 108.6 | O1—Co1—N4iv | 92.74 (13) |
H11A—C11—H11B | 107.6 | O3—Co1—N4iv | 92.70 (13) |
C13—C12—C16 | 117.9 (4) | N1—Co1—N4iv | 94.43 (15) |
C13—C12—C11 | 125.3 (4) | O2ii—Co1—N4iv | 91.71 (14) |
C16—C12—C11 | 116.8 (4) | O4i—Co1—N4iv | 172.90 (15) |
C12—C13—C14 | 120.0 (5) | | |
| | | |
N1—C3—C4—C5 | 0.2 (9) | C14—C15—N4—Co1iii | 171.3 (5) |
C3—C4—C5—C6 | 1.7 (8) | C12—C16—N4—C15 | 1.5 (8) |
C4—C5—C6—C7 | −2.3 (7) | C12—C16—N4—Co1iii | −171.1 (4) |
C4—C5—C6—C8 | 177.0 (5) | O2—C2—O1—Co1 | −173.9 (3) |
C5—C6—C7—N1 | 1.0 (7) | C2ii—C2—O1—Co1 | 5.5 (6) |
C8—C6—C7—N1 | −178.3 (4) | O1—C2—O2—Co1ii | −174.5 (3) |
C7—C6—C8—N2 | −121.0 (5) | C2ii—C2—O2—Co1ii | 6.2 (6) |
C5—C6—C8—N2 | 59.8 (6) | O4—C1—O3—Co1 | −166.2 (4) |
O5—C9—C10—O6 | 174.2 (4) | C1i—C1—O3—Co1 | 13.8 (6) |
N2—C9—C10—O6 | −6.6 (6) | O3—C1—O4—Co1i | −166.7 (4) |
O5—C9—C10—N3 | −6.6 (6) | C1i—C1—O4—Co1i | 13.4 (6) |
N2—C9—C10—N3 | 172.6 (4) | C2—O1—Co1—O3 | 11.5 (6) |
N3—C11—C12—C13 | −6.9 (7) | C2—O1—Co1—N1 | 167.5 (3) |
N3—C11—C12—C16 | 174.7 (4) | C2—O1—Co1—O2ii | −6.5 (3) |
C16—C12—C13—C14 | −1.3 (9) | C2—O1—Co1—O4i | 77.7 (3) |
C11—C12—C13—C14 | −179.7 (5) | C2—O1—Co1—N4iv | −97.7 (3) |
C12—C13—C14—C15 | 1.6 (10) | C1—O3—Co1—O1 | 51.8 (6) |
C13—C14—C15—N4 | −0.3 (10) | C1—O3—Co1—N1 | −104.0 (3) |
C13—C12—C16—N4 | −0.3 (8) | C1—O3—Co1—O2ii | 69.6 (3) |
C11—C12—C16—N4 | 178.2 (4) | C1—O3—Co1—O4i | −15.9 (3) |
C6—C7—N1—C3 | 0.9 (7) | C1—O3—Co1—N4iv | 161.1 (3) |
C6—C7—N1—Co1 | 178.1 (3) | C7—N1—Co1—O1 | −142.6 (3) |
C4—C3—N1—C7 | −1.5 (8) | C3—N1—Co1—O1 | 34.4 (4) |
C4—C3—N1—Co1 | −178.7 (4) | C7—N1—Co1—O3 | 30.7 (4) |
O5—C9—N2—C8 | 0.8 (7) | C3—N1—Co1—O3 | −152.3 (4) |
C10—C9—N2—C8 | −178.3 (4) | C7—N1—Co1—O2ii | −92.7 (11) |
C6—C8—N2—C9 | 64.2 (6) | C3—N1—Co1—O2ii | 84.3 (11) |
O6—C10—N3—C11 | 1.6 (7) | C7—N1—Co1—O4i | −50.0 (4) |
C9—C10—N3—C11 | −177.5 (4) | C3—N1—Co1—O4i | 127.0 (4) |
C12—C11—N3—C10 | −77.4 (6) | C7—N1—Co1—N4iv | 124.2 (4) |
C14—C15—N4—C16 | −1.2 (9) | C3—N1—Co1—N4iv | −58.8 (4) |
Symmetry codes: (i) −x+1, −y, −z+1; (ii) −x, −y, −z+1; (iii) x+1, −y+1/2, z−1/2; (iv) x−1, −y+1/2, z+1/2. |
Hydrogen-bond geometry (Å, º) top
D—H···A | D—H | H···A | D···A | D—H···A |
N3—H3···O6v | 0.86 | 2.14 | 2.863 (5) | 142 |
Symmetry code: (v) x, −y+1/2, z+1/2. |
Hydrogen-bond geometry (Å, º) top
D—H···A | D—H | H···A | D···A | D—H···A |
N3—H3···O6i | 0.86 | 2.14 | 2.863 (5) | 141.6 |
Symmetry code: (i) x, −y+1/2, z+1/2. |
Design of effective ligands and the proper choice of metal centers are the keys to design and construct novel metal-organic frameworks (Kitagawa et al., 2004; Ma et al., 2009). These complexes can be specially designed by the careful selection of metal cations with preferred coordination geometries, the nature of the anions, the structure of the connecting ligands, and the reaction conditions (Li et al., 2005; Wang et al., 2007). We selected oxalic acid as an organic carboxylate anion and N,N'-Bis-pyridin-4-ylmethyl-oxalamide (BPMO) as a N-donor neutral ligand, generating a coordination compound, [Co(C2O4)(BPMO)]n, which is reported here.
In the asymmetric unit of the title compound, [Co(C2O4)(BPMO)]n, the central CoII is six-coordinated by two nitrogen atoms from different BPMO ligands and four oxygen atoms from two oxalate anions in a distorted octahedral coordination geometry. The Co—N and Co—O distances are comparable to those found in other crystallographically characterized CoII complexes (Ma et al., 2005). The CoII atoms are linked by the oxalate anions to give a one-dimensional chain. The chains are linked by BPMO ligands and extend the chains into a three-dimensional supramolecular architecture. Moreover, the hydrogen bonds between the N-donor neutral ligand and oxalate, are crucial for stabilizing the three-dimensional framework.