Di-μ2-acetato-bis{μ2-1,1′-[propane-1,3-diylbis(nitrilomethylidyne)]di-2-naphtholato}tricobalt(II)
Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S160053680702497X/bt2376sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S160053680702497X/bt2376Isup2.hkl |
CCDC reference: 650690
Key indicators
- Single-crystal X-ray study
- T = 293 K
- Mean (C-C) = 0.005 Å
- R factor = 0.041
- wR factor = 0.083
- Data-to-parameter ratio = 12.5
checkCIF/PLATON results
No syntax errors found
Alert level B PLAT029_ALERT_3_B _diffrn_measured_fraction_theta_full Low ....... 0.94
Alert level C REFLT03_ALERT_3_C Reflection count < 95% complete From the CIF: _diffrn_reflns_theta_max 25.50 From the CIF: _diffrn_reflns_theta_full 25.50 From the CIF: _reflns_number_total 3927 TEST2: Reflns within _diffrn_reflns_theta_max Count of symmetry unique reflns 4162 Completeness (_total/calc) 94.35% PLAT022_ALERT_3_C Ratio Unique / Expected Reflections too Low .... 0.94 PLAT062_ALERT_4_C Rescale T(min) & T(max) by ..................... 0.98 PLAT125_ALERT_4_C No _symmetry_space_group_name_Hall Given ....... ? PLAT410_ALERT_2_C Short Intra H...H Contact H8A .. H11 .. 1.96 Ang. PLAT410_ALERT_2_C Short Intra H...H Contact H15 .. H23A .. 1.95 Ang.
Alert level G PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature 293 K PLAT200_ALERT_1_G Check the Reported _diffrn_ambient_temperature . 293 K PLAT794_ALERT_5_G Check Predicted Bond Valency for Co1 (2) 1.95 PLAT794_ALERT_5_G Check Predicted Bond Valency for Co2 (2) 2.00
0 ALERT level A = In general: serious problem 1 ALERT level B = Potentially serious problem 6 ALERT level C = Check and explain 4 ALERT level G = General alerts; check 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 3 ALERT type 3 Indicator that the structure quality may be low 2 ALERT type 4 Improvement, methodology, query or suggestion 2 ALERT type 5 Informative message, check
For related literature, see: Diao (2007a, 2007b); Dohlakiya & Patel (2005); El-Behairy, Khalil, Ishak & Abd El-Halim (1997); Escuer et al. (2000); Eshel et al. (2000); Jiang et al. (2005); Manhas et al. (2005); Salem (2005).
N,N'-1,3-Propanediamine (0.1 mmol, 7.5 mg), 2-hydroxy-1-naphthaldehyde (0.2 mmol, 34.3 mg), and cobalt acetate (0.2 mmol, 50.0 mg) were dissolved in a methanol solution (20 ml). The mixture was stirred for half an hour at room temperature, giving a red solution. After allowing the solution to stand in dark for a week, brown block-like crystals were formed.
All H atoms were placed in idealized positions and constrained to ride on their parent atoms, with C—H = 0.93–0.96 Å, and with Uiso(H) values were fixed at 0.08 Å2.
Polynuclear complexes play an important role in the development of coordination chemistry related to magnetism and molecular architectures (Eshel et al., 2000; Jiang et al., 2005; Escuer et al., 2000; El-Behairy et al., 1997; Manhas et al., 2005). The prime strategy for designing these molecular materials is to use suitable bridging ligands that determine the nature of the magnetic interactions (Salem, 2005; Dohlakiya & Patel, 2005). We have recently reported a few polynuclear transition metal complexes (Diao, 2007a,b). As an extension of the work on the polynuclear complexes, we report herein the crystal structure of the title complex, (I).
Compound (I) is an acetate and phenolate bridged trinuclear cobalt(II) complex. The central Co atom, lying on the inversion centre, is coordinated by four O atoms from two Schiff base ligands and two O atoms from two acetate groups, forming an octahedral geometry. Each terminal Co atom is coordinated by two O and two N atoms from one Schiff base ligand and one O atom of an acetate group, forming a square pyramidal geometry.
For related literature, see: Diao (2007a, 2007b); Dohlakiya & Patel (2005); El-Behairy, Khalil, Ishak & Abd El-Halim (1997); Escuer et al. (2000); Eshel et al. (2000); Jiang et al. (2005); Manhas et al. (2005); Salem (2005).
Data collection: SMART (Bruker, 2000); cell refinement: SAINT (Bruker, 2000); data reduction: SAINT; program(s) used to solve structure: SHELXTL (Bruker, 2000); program(s) used to refine structure: SHELXTL; molecular graphics: SHELXTL; software used to prepare material for publication: SHELXTL.
Fig. 1. Molecular structure of (I). Displacement ellipsoids are drawn at the 30% probability level. Symmetry operator (A): 2 - x,-y,-z. |
[Co3(C25H20N2O2)2(C2H3O2)2] | F(000) = 1086 |
Mr = 1055.74 | Dx = 1.569 Mg m−3 |
Monoclinic, P21/n | Mo Kα radiation, λ = 0.71073 Å |
a = 11.770 (3) Å | Cell parameters from 2321 reflections |
b = 11.765 (4) Å | θ = 2.2–25.0° |
c = 16.137 (3) Å | µ = 1.17 mm−1 |
β = 90.61 (2)° | T = 293 K |
V = 2234.4 (10) Å3 | Block, brown |
Z = 2 | 0.37 × 0.33 × 0.32 mm |
Bruker SMART CCD area-detector diffractometer | 3927 independent reflections |
Radiation source: fine-focus sealed tube | 2604 reflections with I > 2σ(I) |
Graphite monochromator | Rint = 0.032 |
ω scans | θmax = 25.5°, θmin = 2.1° |
Absorption correction: multi-scan (SADABS; Bruker, 2000) | h = −14→11 |
Tmin = 0.672, Tmax = 0.707 | k = −14→12 |
7988 measured reflections | l = −18→16 |
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)] = 0.041 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.083 | H-atom parameters constrained |
S = 0.86 | w = 1/[σ2(Fo2) + (0.0348P)2] where P = (Fo2 + 2Fc2)/3 |
3927 reflections | (Δ/σ)max < 0.001 |
313 parameters | Δρmax = 0.45 e Å−3 |
0 restraints | Δρmin = −0.24 e Å−3 |
[Co3(C25H20N2O2)2(C2H3O2)2] | V = 2234.4 (10) Å3 |
Mr = 1055.74 | Z = 2 |
Monoclinic, P21/n | Mo Kα radiation |
a = 11.770 (3) Å | µ = 1.17 mm−1 |
b = 11.765 (4) Å | T = 293 K |
c = 16.137 (3) Å | 0.37 × 0.33 × 0.32 mm |
β = 90.61 (2)° |
Bruker SMART CCD area-detector diffractometer | 3927 independent reflections |
Absorption correction: multi-scan (SADABS; Bruker, 2000) | 2604 reflections with I > 2σ(I) |
Tmin = 0.672, Tmax = 0.707 | Rint = 0.032 |
7988 measured reflections |
R[F2 > 2σ(F2)] = 0.041 | 0 restraints |
wR(F2) = 0.083 | H-atom parameters constrained |
S = 0.86 | Δρmax = 0.45 e Å−3 |
3927 reflections | Δρmin = −0.24 e Å−3 |
313 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 | 0.98733 (4) | 0.16208 (3) | 0.14688 (3) | 0.04044 (15) | |
Co2 | 1.0000 | 0.0000 | 0.0000 | 0.03656 (18) | |
O1 | 0.94380 (18) | 0.00047 (16) | 0.12547 (12) | 0.0409 (6) | |
O2 | 0.96231 (18) | 0.17133 (16) | 0.02205 (12) | 0.0397 (6) | |
O3 | 1.16502 (19) | 0.03277 (18) | 0.03765 (13) | 0.0451 (6) | |
O4 | 1.15744 (19) | 0.14127 (18) | 0.15148 (13) | 0.0455 (6) | |
N1 | 0.9624 (2) | 0.1354 (2) | 0.27103 (16) | 0.0404 (7) | |
N2 | 0.9711 (2) | 0.3328 (2) | 0.15027 (16) | 0.0388 (7) | |
C1 | 0.9099 (3) | −0.0671 (3) | 0.2633 (2) | 0.0367 (8) | |
C2 | 0.9091 (3) | −0.0797 (3) | 0.1763 (2) | 0.0354 (8) | |
C3 | 0.8677 (3) | −0.1826 (3) | 0.1412 (2) | 0.0418 (9) | |
H3A | 0.8624 | −0.1889 | 0.0819 | 0.080* | |
C4 | 0.8370 (3) | −0.2703 (3) | 0.1894 (2) | 0.0459 (9) | |
H4A | 0.8077 | −0.3379 | 0.1637 | 0.080* | |
C5 | 0.8134 (3) | −0.3600 (3) | 0.3257 (2) | 0.0491 (10) | |
H5A | 0.7868 | −0.4276 | 0.2985 | 0.080* | |
C6 | 0.8199 (3) | −0.3570 (3) | 0.4096 (2) | 0.0544 (10) | |
H6A | 0.7960 | −0.4211 | 0.4419 | 0.080* | |
C7 | 0.8608 (3) | −0.2584 (3) | 0.4477 (2) | 0.0568 (11) | |
H7A | 0.8680 | −0.2565 | 0.5070 | 0.080* | |
C8 | 0.8907 (3) | −0.1649 (3) | 0.4025 (2) | 0.0488 (9) | |
H8A | 0.9195 | −0.0988 | 0.4305 | 0.080* | |
C9 | 0.8441 (3) | −0.2658 (3) | 0.2771 (2) | 0.0391 (8) | |
C10 | 0.8816 (3) | −0.1639 (3) | 0.3151 (2) | 0.0388 (8) | |
C11 | 0.9360 (3) | 0.0383 (3) | 0.3032 (2) | 0.0419 (9) | |
H11 | 0.9336 | 0.0369 | 0.3608 | 0.050* | |
C12 | 0.9865 (3) | 0.2281 (3) | 0.3306 (2) | 0.0497 (10) | |
H12A | 1.0675 | 0.2322 | 0.3374 | 0.080* | |
H12B | 0.9546 | 0.2095 | 0.3835 | 0.080* | |
C13 | 0.9476 (3) | 0.3436 (3) | 0.3019 (2) | 0.0488 (9) | |
H13A | 0.9546 | 0.3965 | 0.3469 | 0.080* | |
H13B | 0.8685 | 0.3371 | 0.2876 | 0.080* | |
C14 | 1.0077 (3) | 0.3899 (3) | 0.2268 (2) | 0.0473 (9) | |
H14A | 0.9952 | 0.4702 | 0.2217 | 0.080* | |
H14B | 1.0876 | 0.3773 | 0.2347 | 0.080* | |
C15 | 0.9328 (3) | 0.3953 (3) | 0.0914 (2) | 0.0410 (9) | |
H15 | 0.9318 | 0.4730 | 0.1019 | 0.049* | |
C16 | 0.8909 (3) | 0.3609 (2) | 0.0109 (2) | 0.0366 (8) | |
C17 | 0.9088 (3) | 0.2510 (3) | −0.0204 (2) | 0.0368 (8) | |
C18 | 0.8683 (3) | 0.2252 (3) | −0.10198 (19) | 0.0415 (9) | |
H18A | 0.8832 | 0.1512 | −0.1244 | 0.080* | |
C19 | 0.8109 (3) | 0.3032 (3) | −0.1478 (2) | 0.0445 (9) | |
H19A | 0.7852 | 0.2833 | −0.2026 | 0.080* | |
C20 | 0.7206 (3) | 0.4910 (3) | −0.1634 (2) | 0.0497 (9) | |
H20A | 0.6939 | 0.4688 | −0.2174 | 0.080* | |
C21 | 0.6942 (3) | 0.5958 (3) | −0.1325 (2) | 0.0557 (10) | |
H21A | 0.6491 | 0.6481 | −0.1645 | 0.080* | |
C22 | 0.7337 (3) | 0.6249 (3) | −0.0535 (2) | 0.0604 (11) | |
H22A | 0.7150 | 0.6982 | −0.0312 | 0.080* | |
C23 | 0.7984 (3) | 0.5520 (3) | −0.0082 (2) | 0.0554 (11) | |
H23A | 0.8260 | 0.5757 | 0.0453 | 0.080* | |
C24 | 0.8269 (3) | 0.4429 (3) | −0.0374 (2) | 0.0398 (8) | |
C25 | 0.7865 (3) | 0.4134 (3) | −0.1165 (2) | 0.0390 (8) | |
C26 | 1.3363 (3) | 0.0714 (3) | 0.1094 (2) | 0.0684 (12) | |
H26A | 1.3701 | 0.0566 | 0.0566 | 0.080* | |
H26B | 1.3529 | 0.0097 | 0.1465 | 0.080* | |
H26C | 1.3666 | 0.1407 | 0.1318 | 0.080* | |
C27 | 1.2099 (3) | 0.0826 (3) | 0.0986 (2) | 0.0417 (9) |
U11 | U22 | U33 | U12 | U13 | U23 | |
Co1 | 0.0557 (3) | 0.0357 (3) | 0.0299 (3) | 0.0030 (2) | 0.0046 (2) | −0.0040 (2) |
Co2 | 0.0490 (4) | 0.0338 (3) | 0.0270 (4) | 0.0048 (3) | 0.0043 (3) | −0.0027 (3) |
O1 | 0.0589 (16) | 0.0341 (12) | 0.0299 (14) | 0.0000 (11) | 0.0084 (11) | −0.0010 (11) |
O2 | 0.0565 (16) | 0.0313 (11) | 0.0313 (14) | 0.0058 (11) | 0.0013 (11) | −0.0032 (10) |
O3 | 0.0463 (16) | 0.0503 (14) | 0.0387 (15) | 0.0043 (11) | 0.0018 (12) | −0.0072 (12) |
O4 | 0.0517 (16) | 0.0486 (14) | 0.0362 (15) | 0.0058 (11) | −0.0015 (12) | −0.0063 (11) |
N1 | 0.0506 (19) | 0.0381 (16) | 0.0324 (18) | 0.0000 (13) | 0.0027 (14) | −0.0056 (13) |
N2 | 0.0478 (19) | 0.0343 (14) | 0.0343 (17) | 0.0022 (13) | −0.0016 (14) | −0.0033 (14) |
C1 | 0.042 (2) | 0.0394 (19) | 0.029 (2) | 0.0004 (15) | 0.0037 (16) | −0.0009 (16) |
C2 | 0.039 (2) | 0.0370 (19) | 0.030 (2) | 0.0047 (15) | 0.0035 (16) | −0.0010 (16) |
C3 | 0.052 (2) | 0.0390 (19) | 0.034 (2) | −0.0020 (16) | 0.0086 (17) | −0.0056 (16) |
C4 | 0.053 (3) | 0.041 (2) | 0.043 (3) | −0.0027 (17) | 0.0077 (18) | −0.0085 (18) |
C5 | 0.054 (3) | 0.044 (2) | 0.049 (3) | −0.0059 (17) | 0.0082 (19) | 0.0035 (18) |
C6 | 0.057 (3) | 0.057 (2) | 0.049 (3) | −0.0078 (19) | 0.012 (2) | 0.014 (2) |
C7 | 0.065 (3) | 0.070 (3) | 0.036 (2) | −0.004 (2) | 0.005 (2) | 0.008 (2) |
C8 | 0.057 (3) | 0.055 (2) | 0.035 (2) | −0.0049 (19) | 0.0078 (18) | 0.0027 (19) |
C9 | 0.041 (2) | 0.0382 (19) | 0.038 (2) | 0.0007 (15) | 0.0070 (17) | −0.0005 (17) |
C10 | 0.039 (2) | 0.045 (2) | 0.033 (2) | 0.0039 (16) | 0.0063 (16) | 0.0028 (17) |
C11 | 0.051 (2) | 0.050 (2) | 0.025 (2) | −0.0043 (17) | 0.0029 (16) | 0.0012 (17) |
C12 | 0.071 (3) | 0.046 (2) | 0.032 (2) | −0.0096 (18) | 0.0030 (19) | −0.0083 (17) |
C13 | 0.062 (3) | 0.043 (2) | 0.042 (2) | −0.0078 (18) | 0.0055 (19) | −0.0175 (18) |
C14 | 0.059 (3) | 0.044 (2) | 0.038 (2) | −0.0038 (17) | −0.0046 (19) | −0.0080 (17) |
C15 | 0.052 (2) | 0.0312 (18) | 0.040 (2) | 0.0012 (16) | 0.0055 (18) | −0.0044 (17) |
C16 | 0.046 (2) | 0.0338 (18) | 0.030 (2) | 0.0008 (15) | 0.0029 (16) | −0.0014 (15) |
C17 | 0.041 (2) | 0.0379 (18) | 0.031 (2) | −0.0001 (16) | 0.0045 (16) | 0.0031 (16) |
C18 | 0.055 (2) | 0.0402 (19) | 0.029 (2) | 0.0029 (16) | 0.0049 (18) | −0.0025 (16) |
C19 | 0.052 (2) | 0.046 (2) | 0.036 (2) | −0.0022 (17) | −0.0017 (18) | −0.0021 (17) |
C20 | 0.053 (2) | 0.049 (2) | 0.047 (2) | −0.0042 (18) | −0.0040 (18) | 0.0018 (19) |
C21 | 0.060 (3) | 0.048 (2) | 0.059 (3) | 0.0060 (19) | −0.003 (2) | 0.012 (2) |
C22 | 0.084 (3) | 0.042 (2) | 0.056 (3) | 0.015 (2) | 0.000 (2) | −0.001 (2) |
C23 | 0.081 (3) | 0.040 (2) | 0.044 (2) | 0.013 (2) | −0.006 (2) | −0.0053 (18) |
C24 | 0.048 (2) | 0.0349 (18) | 0.036 (2) | −0.0028 (16) | 0.0049 (17) | 0.0029 (16) |
C25 | 0.047 (2) | 0.0387 (19) | 0.032 (2) | −0.0002 (16) | −0.0004 (17) | 0.0019 (16) |
C26 | 0.057 (3) | 0.079 (3) | 0.069 (3) | 0.016 (2) | −0.011 (2) | −0.012 (2) |
C27 | 0.048 (3) | 0.0341 (19) | 0.043 (3) | 0.0043 (17) | 0.0031 (19) | 0.0078 (18) |
Co1—O1 | 1.998 (2) | C8—H8A | 0.9597 |
Co1—O4 | 2.018 (2) | C9—C10 | 1.415 (4) |
Co1—N2 | 2.019 (3) | C11—H11 | 0.9300 |
Co1—O2 | 2.036 (2) | C12—C13 | 1.506 (4) |
Co1—N1 | 2.052 (3) | C12—H12A | 0.9597 |
Co2—O3 | 2.065 (2) | C12—H12B | 0.9603 |
Co2—O3i | 2.065 (2) | C13—C14 | 1.510 (4) |
Co2—O2i | 2.095 (2) | C13—H13A | 0.9599 |
Co2—O2 | 2.095 (2) | C13—H13B | 0.9597 |
Co2—O1i | 2.137 (2) | C14—H14A | 0.9598 |
Co2—O1 | 2.137 (2) | C14—H14B | 0.9597 |
O1—C2 | 1.318 (3) | C15—C16 | 1.442 (4) |
O2—C17 | 1.317 (3) | C15—H15 | 0.9300 |
O3—C27 | 1.257 (4) | C16—C17 | 1.406 (4) |
O4—C27 | 1.263 (4) | C16—C24 | 1.446 (4) |
N1—C11 | 1.294 (4) | C17—C18 | 1.428 (4) |
N1—C12 | 1.479 (4) | C18—C19 | 1.356 (4) |
N2—C15 | 1.279 (3) | C18—H18A | 0.9599 |
N2—C14 | 1.467 (4) | C19—C25 | 1.421 (4) |
C1—C2 | 1.412 (4) | C19—H19A | 0.9600 |
C1—C11 | 1.429 (4) | C20—C21 | 1.366 (4) |
C1—C10 | 1.453 (4) | C20—C25 | 1.413 (4) |
C2—C3 | 1.421 (4) | C20—H20A | 0.9600 |
C3—C4 | 1.344 (4) | C21—C22 | 1.396 (5) |
C3—H3A | 0.9602 | C21—H21A | 0.9599 |
C4—C9 | 1.418 (4) | C22—C23 | 1.355 (4) |
C4—H4A | 0.9599 | C22—H22A | 0.9599 |
C5—C6 | 1.356 (4) | C23—C24 | 1.409 (4) |
C5—C9 | 1.408 (4) | C23—H23A | 0.9600 |
C5—H5A | 0.9598 | C24—C25 | 1.402 (4) |
C6—C7 | 1.396 (5) | C26—C27 | 1.502 (5) |
C6—H6A | 0.9600 | C26—H26A | 0.9600 |
C7—C8 | 1.367 (4) | C26—H26B | 0.9600 |
C7—H7A | 0.9602 | C26—H26C | 0.9600 |
C8—C10 | 1.413 (4) | ||
O1—Co1—O4 | 98.24 (9) | C8—C10—C9 | 116.5 (3) |
O1—Co1—N2 | 158.02 (10) | C8—C10—C1 | 124.4 (3) |
O4—Co1—N2 | 102.36 (10) | C9—C10—C1 | 119.1 (3) |
O1—Co1—O2 | 81.12 (8) | N1—C11—C1 | 129.6 (3) |
O4—Co1—O2 | 100.13 (9) | N1—C11—H11 | 115.2 |
N2—Co1—O2 | 87.76 (9) | C1—C11—H11 | 115.2 |
O1—Co1—N1 | 89.09 (9) | N1—C12—C13 | 114.2 (3) |
O4—Co1—N1 | 95.61 (10) | N1—C12—H12A | 107.2 |
N2—Co1—N1 | 96.38 (10) | C13—C12—H12A | 106.7 |
O2—Co1—N1 | 162.48 (10) | N1—C12—H12B | 109.6 |
O3—Co2—O3i | 180.00 (17) | C13—C12—H12B | 111.0 |
O3—Co2—O2i | 91.69 (8) | H12A—C12—H12B | 107.9 |
O3i—Co2—O2i | 88.31 (8) | C12—C13—C14 | 115.4 (3) |
O3—Co2—O2 | 88.31 (8) | C12—C13—H13A | 109.2 |
O3i—Co2—O2 | 91.69 (8) | C14—C13—H13A | 109.7 |
O2i—Co2—O2 | 180.00 (15) | C12—C13—H13B | 107.0 |
O3—Co2—O1i | 88.83 (9) | C14—C13—H13B | 107.4 |
O3i—Co2—O1i | 91.17 (9) | H13A—C13—H13B | 107.9 |
O2i—Co2—O1i | 76.60 (7) | N2—C14—C13 | 112.0 (3) |
O2—Co2—O1i | 103.40 (7) | N2—C14—H14A | 109.6 |
O3—Co2—O1 | 91.17 (9) | C13—C14—H14A | 110.6 |
O3i—Co2—O1 | 88.83 (9) | N2—C14—H14B | 108.7 |
O2i—Co2—O1 | 103.40 (7) | C13—C14—H14B | 107.7 |
O2—Co2—O1 | 76.60 (7) | H14A—C14—H14B | 108.2 |
O1i—Co2—O1 | 180.00 (15) | N2—C15—C16 | 128.5 (3) |
C2—O1—Co1 | 130.82 (19) | N2—C15—H15 | 115.8 |
C2—O1—Co2 | 133.59 (18) | C16—C15—H15 | 115.8 |
Co1—O1—Co2 | 94.87 (8) | C17—C16—C15 | 122.1 (3) |
C17—O2—Co1 | 128.05 (19) | C17—C16—C24 | 119.9 (3) |
C17—O2—Co2 | 134.18 (19) | C15—C16—C24 | 118.0 (3) |
Co1—O2—Co2 | 95.05 (8) | O2—C17—C16 | 122.7 (3) |
C27—O3—Co2 | 134.7 (2) | O2—C17—C18 | 118.8 (3) |
C27—O4—Co1 | 122.2 (2) | C16—C17—C18 | 118.5 (3) |
C11—N1—C12 | 115.8 (3) | C19—C18—C17 | 121.3 (3) |
C11—N1—Co1 | 124.3 (2) | C19—C18—H18A | 120.0 |
C12—N1—Co1 | 119.57 (19) | C17—C18—H18A | 118.7 |
C15—N2—C14 | 117.4 (3) | C18—C19—C25 | 121.7 (3) |
C15—N2—Co1 | 125.8 (2) | C18—C19—H19A | 119.2 |
C14—N2—Co1 | 116.8 (2) | C25—C19—H19A | 119.2 |
C2—C1—C11 | 122.5 (3) | C21—C20—C25 | 120.9 (3) |
C2—C1—C10 | 119.4 (3) | C21—C20—H20A | 120.3 |
C11—C1—C10 | 118.1 (3) | C25—C20—H20A | 118.8 |
O1—C2—C1 | 123.1 (3) | C20—C21—C22 | 118.7 (3) |
O1—C2—C3 | 117.9 (3) | C20—C21—H21A | 120.6 |
C1—C2—C3 | 119.0 (3) | C22—C21—H21A | 120.7 |
C4—C3—C2 | 121.1 (3) | C23—C22—C21 | 121.1 (3) |
C4—C3—H3A | 120.1 | C23—C22—H22A | 119.8 |
C2—C3—H3A | 118.8 | C21—C22—H22A | 119.1 |
C3—C4—C9 | 122.4 (3) | C22—C23—C24 | 122.1 (3) |
C3—C4—H4A | 118.9 | C22—C23—H23A | 118.9 |
C9—C4—H4A | 118.6 | C24—C23—H23A | 119.0 |
C6—C5—C9 | 121.6 (3) | C25—C24—C23 | 116.7 (3) |
C6—C5—H5A | 119.6 | C25—C24—C16 | 119.7 (3) |
C9—C5—H5A | 118.8 | C23—C24—C16 | 123.5 (3) |
C5—C6—C7 | 118.4 (3) | C24—C25—C20 | 120.4 (3) |
C5—C6—H6A | 120.4 | C24—C25—C19 | 118.8 (3) |
C7—C6—H6A | 121.1 | C20—C25—C19 | 120.7 (3) |
C8—C7—C6 | 121.6 (3) | C27—C26—H26A | 109.5 |
C8—C7—H7A | 119.5 | C27—C26—H26B | 109.5 |
C6—C7—H7A | 118.9 | H26A—C26—H26B | 109.5 |
C7—C8—C10 | 121.4 (3) | C27—C26—H26C | 109.5 |
C7—C8—H8A | 119.5 | H26A—C26—H26C | 109.5 |
C10—C8—H8A | 119.1 | H26B—C26—H26C | 109.5 |
C5—C9—C10 | 120.4 (3) | O3—C27—O4 | 125.4 (3) |
C5—C9—C4 | 121.0 (3) | O3—C27—C26 | 117.2 (3) |
C10—C9—C4 | 118.6 (3) | O4—C27—C26 | 117.4 (3) |
Symmetry code: (i) −x+2, −y, −z. |
Experimental details
Crystal data | |
Chemical formula | [Co3(C25H20N2O2)2(C2H3O2)2] |
Mr | 1055.74 |
Crystal system, space group | Monoclinic, P21/n |
Temperature (K) | 293 |
a, b, c (Å) | 11.770 (3), 11.765 (4), 16.137 (3) |
β (°) | 90.61 (2) |
V (Å3) | 2234.4 (10) |
Z | 2 |
Radiation type | Mo Kα |
µ (mm−1) | 1.17 |
Crystal size (mm) | 0.37 × 0.33 × 0.32 |
Data collection | |
Diffractometer | Bruker SMART CCD area-detector |
Absorption correction | Multi-scan (SADABS; Bruker, 2000) |
Tmin, Tmax | 0.672, 0.707 |
No. of measured, independent and observed [I > 2σ(I)] reflections | 7988, 3927, 2604 |
Rint | 0.032 |
(sin θ/λ)max (Å−1) | 0.606 |
Refinement | |
R[F2 > 2σ(F2)], wR(F2), S | 0.041, 0.083, 0.86 |
No. of reflections | 3927 |
No. of parameters | 313 |
H-atom treatment | H-atom parameters constrained |
Δρmax, Δρmin (e Å−3) | 0.45, −0.24 |
Computer programs: SMART (Bruker, 2000), SAINT (Bruker, 2000), SAINT, SHELXTL (Bruker, 2000), SHELXTL.
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Polynuclear complexes play an important role in the development of coordination chemistry related to magnetism and molecular architectures (Eshel et al., 2000; Jiang et al., 2005; Escuer et al., 2000; El-Behairy et al., 1997; Manhas et al., 2005). The prime strategy for designing these molecular materials is to use suitable bridging ligands that determine the nature of the magnetic interactions (Salem, 2005; Dohlakiya & Patel, 2005). We have recently reported a few polynuclear transition metal complexes (Diao, 2007a,b). As an extension of the work on the polynuclear complexes, we report herein the crystal structure of the title complex, (I).
Compound (I) is an acetate and phenolate bridged trinuclear cobalt(II) complex. The central Co atom, lying on the inversion centre, is coordinated by four O atoms from two Schiff base ligands and two O atoms from two acetate groups, forming an octahedral geometry. Each terminal Co atom is coordinated by two O and two N atoms from one Schiff base ligand and one O atom of an acetate group, forming a square pyramidal geometry.