metal-organic compounds\(\def\hfill{\hskip 5em}\def\hfil{\hskip 3em}\def\eqno#1{\hfil {#1}}\)

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ISSN: 2056-9890

Tris[2-(propyl­imino­meth­yl)phenolato-κ2N,O]cobalt(III)

aThe Institute of Immunology, Key Laboratory of Natural Drugs and Immunological Engineering of Henan Province, College of Medicine, Henan University, Kaifeng 475003, People's Republic of China, bCollege of Chemistry and Chemical Engineering, Henan University, Kaifeng 475003, People's Republic of China, and cCollege of Medicine, Henan University, Kaifeng 475003, People's Republic of China
*Correspondence e-mail: mayf_hd@126.com

(Received 22 April 2008; accepted 11 May 2008; online 17 May 2008)

The title compound, [Co(C10H12NO)3], was synthesized from cobalt(III) fluoride and 2-(propyl­imino­meth­yl)phenol in refluxing methanol. The CoIII ion is hexa­coordinated by three N and three O atoms from three bidentate Schiff base ligands in an octa­hedral geometry.

Related literature

For related literature, see: Chung et al. (1971[Chung, L., Rajan, K. S., Merdinger, E. & Crecz, N. (1971). Biophys. J. 11, 469-475.]); Church & Halvorson (1959[Church, B. S. & Halvorson, H. (1959). Nature (London), 183, 124-125.]); Okabe & Oya (2000[Okabe, N. & Oya, N. (2000). Acta Cryst. C56, 1416-1417.]); Serre et al. (2005[Serre, C., Marrot, J. & Ferey, G. (2005). Inorg. Chem. 44, 654-658.]); Pocker & Fong (1980[Pocker, Y. & Fong, C. T. O. (1980). Biochemistry, 19, 2045-2049.]); Scapin et al. (1997[Scapin, G., Reddy, S. G., Zheng, R. & Blanchard, J. S. (1997). Biochemistry, 36, 15081-15088.]).

[Scheme 1]

Experimental

Crystal data
  • [Co(C10H12NO)3]

  • Mr = 545.55

  • Tetragonal, I 41 /a

  • a = 19.588 (3) Å

  • c = 29.877 (6) Å

  • V = 11464 (3) Å3

  • Z = 16

  • Mo Kα radiation

  • μ = 0.63 mm−1

  • T = 293 (2) K

  • 0.43 × 0.28 × 0.22 mm

Data collection
  • Bruker APEXII CCD diffractometer

  • Absorption correction: multi-scan (SADABS; Bruker, 2001[Bruker (2001). SAINT-Plus and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.]) Tmin = 0.773, Tmax = 0.873

  • 41404 measured reflections

  • 5133 independent reflections

  • 3104 reflections with I > 2σ(I)

  • Rint = 0.075

Refinement
  • R[F2 > 2σ(F2)] = 0.047

  • wR(F2) = 0.092

  • S = 1.00

  • 5133 reflections

  • 337 parameters

  • H-atom parameters constrained

  • Δρmax = 0.29 e Å−3

  • Δρmin = −0.22 e Å−3

Data collection: APEX2 (Bruker, 2004[Bruker (2004). APEX2. Bruker AXS Inc., Madison, Wisconsin, USA.]); cell refinement: SAINT-Plus (Bruker, 2001[Bruker (2001). SAINT-Plus and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.]); data reduction: SAINT-Plus; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); molecular graphics: SHELXTL (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); software used to prepare material for publication: SHELXTL.

Supporting information


Comment top

In recent years, Schiff base ligands have been widely used as polydentate ligands, which can coordinate to transition or rare earth ions yielding complexes with interesting properties that are useful in materials science (Church & Halvorson, 1959) and in biological systems (Okabe & Oya, 2000; Serre et al., 2005; Pocker & Fong, 1980; Scapin et al., 1997). Here we report the synthesis and X-ray crystal structure analysis of the title compound, tris(N-n-propylsalicylaldiminato)cobalt(III).

The molecular structure of the title compound is shown in Fig.1. The CoIII ion is hexacoordinated by three N and three O atoms from three bidentate Schiff base ligands, in an octahedral geometry. The Co—N and Co—O bond lengths are in the ranges 1.941 (2)–1.955 (2) and 1.8681 (19)–1.8999 (19) Å, respectively.

Related literature top

For related literature, see: Church & Halvorson (1959); Okabe & Oya (2000); Serre et al. (2005); Pocker & Fong (1980); Scapin et al. (1997).

Experimental top

A mixture of cobalt(III) fluoride (0.5 mmol) and N-n-propylsalicylaldimine (0.5 mmol) in 40 ml methanol solution was refluxed for 5 h. The filtrate from the resulting soution was allowed to evaporate at room temperature for three days. Red crystals were obtained with a yield of 21%. Anal. Calc. for C30H36CoN3O3: C 65.99, H 6.60, N 7.70%; Found: C 65.91, H 6.53, N 7.64%.

Refinement top

All H atoms were placed in calculated positions with C—H = 0.93Å and refined as riding with Uiso(H) = 1.2Ueq(carrier).

Computing details top

Data collection: APEX2 (Bruker, 2004); cell refinement: SAINT-Plus (Bruker, 2001); data reduction: SAINT-Plus (Bruker, 2001); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: SHELXTL (Sheldrick, 2008); software used to prepare material for publication: SHELXTL (Sheldrick, 2008).

Figures top
[Figure 1] Fig. 1. The molecular structure of (I), drawn with 30% probability displacement ellipsoids for the non-hydrogen atoms.
Tris[2-(propyliminomethyl)phenolato-κ2N,O]cobalt(III) top
Crystal data top
[Co(C10H12NO)3]Dx = 1.264 Mg m3
Mr = 545.55Mo Kα radiation, λ = 0.71073 Å
Tetragonal, I41/aCell parameters from 5133 reflections
Hall symbol: -I 4adθ = 1.2–25.3°
a = 19.588 (3) ŵ = 0.63 mm1
c = 29.877 (6) ÅT = 293 K
V = 11464 (3) Å3Block, red
Z = 160.43 × 0.28 × 0.22 mm
F(000) = 4608
Data collection top
Bruker APEXII CCD
diffractometer
5133 independent reflections
Radiation source: fine-focus sealed tube3104 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.075
ϕ and ω scansθmax = 25.3°, θmin = 1.2°
Absorption correction: multi-scan
(SADABS; Bruker, 2001)
h = 2322
Tmin = 0.773, Tmax = 0.873k = 2323
41404 measured reflectionsl = 3535
Refinement top
Refinement on F2Primary atom site location: structure-invariant direct methods
Least-squares matrix: fullSecondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.047Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.092H-atom parameters constrained
S = 1.00 w = 1/[σ2(Fo2) + (0.0331P)2]
where P = (Fo2 + 2Fc2)/3
5133 reflections(Δ/σ)max < 0.001
337 parametersΔρmax = 0.29 e Å3
0 restraintsΔρmin = 0.22 e Å3
Crystal data top
[Co(C10H12NO)3]Z = 16
Mr = 545.55Mo Kα radiation
Tetragonal, I41/aµ = 0.63 mm1
a = 19.588 (3) ÅT = 293 K
c = 29.877 (6) Å0.43 × 0.28 × 0.22 mm
V = 11464 (3) Å3
Data collection top
Bruker APEXII CCD
diffractometer
5133 independent reflections
Absorption correction: multi-scan
(SADABS; Bruker, 2001)
3104 reflections with I > 2σ(I)
Tmin = 0.773, Tmax = 0.873Rint = 0.075
41404 measured reflections
Refinement top
R[F2 > 2σ(F2)] = 0.0470 restraints
wR(F2) = 0.092H-atom parameters constrained
S = 1.00Δρmax = 0.29 e Å3
5133 reflectionsΔρmin = 0.22 e Å3
337 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
xyzUiso*/Ueq
Co10.226327 (19)0.48151 (2)0.006993 (12)0.05600 (15)
C10.12898 (15)0.41326 (14)0.06122 (9)0.0523 (7)
C20.06948 (15)0.37334 (14)0.06292 (10)0.0618 (8)
H20.05620.34900.03760.074*
C30.03038 (16)0.36939 (16)0.10098 (12)0.0729 (9)
H30.00900.34290.10100.087*
C40.04897 (19)0.40445 (17)0.13924 (11)0.0760 (10)
H40.02200.40190.16480.091*
C50.10674 (18)0.44248 (16)0.13916 (9)0.0674 (8)
H50.12000.46480.16520.081*
C60.14739 (15)0.44903 (14)0.10029 (9)0.0547 (7)
C70.20795 (17)0.48916 (16)0.10226 (10)0.0664 (9)
H70.22250.50260.13050.080*
C80.3095 (2)0.5453 (3)0.07921 (14)0.1220 (15)
H8A0.33710.51420.09680.146*
H8B0.33310.55160.05100.146*
C90.3108 (3)0.6025 (3)0.0992 (2)0.1486 (18)
H9A0.28880.59680.12810.235*
H9B0.28320.63430.08210.235*
C100.3811 (2)0.6360 (2)0.10728 (15)0.1317 (16)
H10A0.41460.60110.11240.198*
H10B0.37860.66530.13300.198*
H10C0.39370.66230.08150.198*
C110.34024 (18)0.54969 (19)0.03344 (10)0.0704 (9)
C120.36719 (19)0.6075 (2)0.05589 (12)0.0967 (12)
H120.34050.64650.05880.116*
C130.4318 (2)0.6068 (3)0.07339 (13)0.1169 (15)
H130.44820.64530.08810.140*
C140.4726 (2)0.5506 (3)0.06963 (14)0.1170 (16)
H140.51620.55070.08190.140*
C150.44864 (19)0.4935 (3)0.04758 (13)0.1026 (13)
H150.47670.45540.04480.123*
C160.38243 (17)0.4920 (2)0.02915 (11)0.0738 (9)
C170.36155 (18)0.43177 (19)0.00564 (10)0.0754 (10)
H170.39440.39790.00250.090*
C180.29465 (17)0.35230 (18)0.03437 (11)0.0838 (10)
H18A0.26670.35850.06090.101*
H18B0.33910.33610.04400.101*
C190.2619 (2)0.29876 (19)0.00453 (14)0.1015 (12)
H19A0.25420.25800.02220.122*
H19B0.21760.31560.00500.122*
C200.3010 (2)0.2796 (2)0.03554 (17)0.1486 (18)
H20A0.30960.31950.05330.223*
H20B0.27530.24720.05280.223*
H20C0.34360.25950.02670.223*
C210.15472 (16)0.43302 (15)0.06742 (9)0.0538 (7)
C220.14576 (18)0.37797 (15)0.09769 (10)0.0669 (9)
H220.18290.35080.10530.080*
C230.0827 (2)0.36426 (17)0.11598 (10)0.0717 (9)
H230.07810.32720.13520.086*
C240.02697 (18)0.40319 (16)0.10686 (10)0.0719 (9)
H240.01490.39370.12020.086*
C250.03369 (16)0.45678 (16)0.07764 (10)0.0674 (9)
H250.00410.48380.07130.081*
C260.09572 (16)0.47160 (14)0.05731 (9)0.0554 (7)
C270.09995 (15)0.52896 (15)0.02763 (10)0.0632 (8)
H270.06360.55950.02840.076*
C280.14549 (16)0.60718 (16)0.02585 (11)0.0804 (10)
H28A0.18960.62930.02320.096*
H28B0.13960.59520.05710.096*
C290.09207 (19)0.65893 (16)0.01440 (11)0.0851 (10)
H29A0.04710.63900.01820.102*
H29B0.09700.67260.01670.102*
C300.0990 (2)0.72063 (16)0.04423 (12)0.0996 (12)
H30A0.08630.70870.07430.149*
H30B0.06960.75630.03350.149*
H30C0.14550.73620.04390.149*
N10.24463 (13)0.50871 (13)0.06881 (8)0.0667 (7)
N20.30289 (13)0.41897 (13)0.01157 (8)0.0649 (7)
N30.14848 (12)0.54281 (12)0.00012 (8)0.0595 (6)
O10.16488 (9)0.41360 (9)0.02443 (6)0.0589 (5)
O20.27882 (10)0.55441 (10)0.01683 (7)0.0712 (6)
O30.21526 (10)0.44676 (10)0.05193 (6)0.0622 (5)
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Co10.0519 (3)0.0672 (3)0.0489 (2)0.0033 (2)0.00188 (19)0.0004 (2)
C10.058 (2)0.0494 (18)0.0493 (18)0.0086 (15)0.0039 (15)0.0060 (14)
C20.065 (2)0.060 (2)0.060 (2)0.0047 (17)0.0069 (17)0.0039 (16)
C30.062 (2)0.076 (2)0.080 (2)0.0011 (18)0.0054 (19)0.020 (2)
C40.087 (3)0.082 (3)0.059 (2)0.004 (2)0.012 (2)0.0108 (19)
C50.087 (3)0.069 (2)0.0460 (19)0.009 (2)0.0033 (18)0.0024 (15)
C60.064 (2)0.0570 (19)0.0434 (17)0.0091 (16)0.0052 (15)0.0019 (14)
C70.077 (2)0.076 (2)0.0454 (18)0.0046 (19)0.0104 (17)0.0060 (17)
C80.127 (4)0.149 (4)0.089 (3)0.038 (3)0.005 (3)0.034 (3)
C90.145 (4)0.137 (4)0.164 (5)0.003 (3)0.043 (4)0.037 (3)
C100.123 (4)0.114 (3)0.158 (4)0.065 (3)0.028 (3)0.001 (3)
C110.057 (2)0.093 (3)0.061 (2)0.010 (2)0.0089 (18)0.0071 (19)
C120.067 (3)0.124 (3)0.099 (3)0.012 (2)0.004 (2)0.030 (2)
C130.075 (3)0.169 (5)0.107 (3)0.030 (3)0.002 (3)0.050 (3)
C140.065 (3)0.183 (5)0.103 (3)0.014 (3)0.017 (2)0.025 (3)
C150.060 (3)0.155 (4)0.093 (3)0.005 (3)0.002 (2)0.005 (3)
C160.052 (2)0.108 (3)0.062 (2)0.002 (2)0.0023 (17)0.001 (2)
C170.064 (2)0.095 (3)0.067 (2)0.021 (2)0.0136 (19)0.001 (2)
C180.079 (2)0.090 (3)0.082 (2)0.021 (2)0.0080 (19)0.019 (2)
C190.107 (3)0.075 (3)0.122 (3)0.013 (2)0.001 (3)0.002 (2)
C200.145 (4)0.137 (4)0.164 (5)0.003 (3)0.043 (4)0.037 (3)
C210.066 (2)0.0570 (19)0.0383 (16)0.0073 (17)0.0011 (15)0.0092 (14)
C220.089 (3)0.063 (2)0.0491 (18)0.0159 (19)0.0059 (18)0.0077 (16)
C230.103 (3)0.060 (2)0.0524 (19)0.006 (2)0.012 (2)0.0017 (15)
C240.086 (3)0.067 (2)0.063 (2)0.006 (2)0.0177 (18)0.0015 (18)
C250.069 (2)0.065 (2)0.069 (2)0.0059 (17)0.0114 (17)0.0030 (18)
C260.063 (2)0.0517 (18)0.0515 (18)0.0050 (16)0.0064 (15)0.0026 (15)
C270.057 (2)0.063 (2)0.069 (2)0.0084 (16)0.0028 (17)0.0052 (17)
C280.072 (2)0.080 (2)0.090 (2)0.006 (2)0.0137 (19)0.023 (2)
C290.102 (3)0.070 (2)0.084 (2)0.005 (2)0.005 (2)0.0036 (19)
C300.125 (3)0.063 (2)0.110 (3)0.003 (2)0.007 (2)0.019 (2)
N10.0612 (17)0.0784 (19)0.0604 (17)0.0057 (14)0.0059 (14)0.0099 (14)
N20.0602 (17)0.0818 (19)0.0527 (15)0.0094 (15)0.0065 (13)0.0049 (14)
N30.0533 (15)0.0673 (17)0.0578 (16)0.0018 (13)0.0015 (12)0.0110 (13)
O10.0628 (13)0.0681 (13)0.0459 (11)0.0031 (10)0.0027 (10)0.0061 (10)
O20.0530 (13)0.0765 (14)0.0840 (15)0.0001 (11)0.0039 (11)0.0079 (12)
O30.0566 (13)0.0831 (14)0.0468 (12)0.0152 (11)0.0020 (10)0.0057 (10)
Geometric parameters (Å, º) top
Co1—O11.8681 (19)C15—C161.409 (4)
Co1—O21.898 (2)C15—H150.930
Co1—O31.8999 (19)C16—C171.432 (4)
Co1—N21.941 (2)C17—N21.283 (4)
Co1—N31.952 (2)C17—H170.930
Co1—N11.955 (2)C18—N21.482 (4)
C1—O11.305 (3)C18—C191.519 (4)
C1—C21.405 (4)C18—H18A0.970
C1—C61.409 (4)C18—H18B0.970
C2—C31.373 (4)C19—C201.470 (5)
C2—H20.930C19—H19A0.970
C3—C41.383 (4)C19—H19B0.970
C3—H30.930C20—H20A0.960
C4—C51.355 (4)C20—H20B0.960
C4—H40.930C20—H20C0.960
C5—C61.414 (4)C21—O31.301 (3)
C5—H50.930C21—C221.418 (4)
C6—C71.424 (4)C21—C261.414 (4)
C7—N11.289 (3)C22—C231.377 (4)
C7—H70.930C22—H220.930
C8—C91.271 (5)C23—C241.359 (4)
C8—N11.492 (4)C23—H230.930
C8—H8A0.970C24—C251.372 (4)
C8—H8B0.970C24—H240.930
C9—C101.544 (6)C25—C261.389 (4)
C9—H9A0.970C25—H250.930
C9—H9B0.970C26—C271.434 (4)
C10—H10A0.960C27—N31.286 (3)
C10—H10B0.960C27—H270.930
C10—H10C0.960C28—N31.482 (3)
C11—O21.305 (3)C28—C291.497 (4)
C11—C121.418 (4)C28—H28A0.970
C11—C161.407 (4)C28—H28B0.970
C12—C131.369 (5)C29—C301.508 (4)
C12—H120.930C29—H29A0.970
C13—C141.366 (5)C29—H29B0.970
C13—H130.930C30—H30A0.960
C14—C151.380 (5)C30—H30B0.960
C14—H140.930C30—H30C0.960
O1—Co1—O2171.62 (8)N2—C17—C16127.8 (3)
O1—Co1—O385.97 (8)N2—C17—H17116.1
O2—Co1—O389.08 (9)C16—C17—H17116.1
O1—Co1—N291.64 (10)N2—C18—C19112.6 (3)
O2—Co1—N294.74 (10)N2—C18—H18A109.1
O3—Co1—N285.83 (9)C19—C18—H18A109.1
O1—Co1—N388.00 (9)N2—C18—H18B109.1
O2—Co1—N385.39 (9)C19—C18—H18B109.1
O3—Co1—N391.74 (9)H18A—C18—H18B107.8
N2—Co1—N3177.56 (10)C20—C19—C18115.7 (3)
O1—Co1—N192.80 (10)C20—C19—H19A108.3
O2—Co1—N192.85 (10)C18—C19—H19A108.3
O3—Co1—N1173.60 (9)C20—C19—H19B108.4
N2—Co1—N187.93 (10)C18—C19—H19B108.4
N3—Co1—N194.50 (10)H19A—C19—H19B107.4
O1—C1—C2118.7 (3)C19—C20—H20A109.5
O1—C1—C6123.9 (3)C19—C20—H20B109.5
C2—C1—C6117.4 (3)H20A—C20—H20B109.5
C3—C2—C1121.6 (3)C19—C20—H20C109.5
C3—C2—H2119.2H20A—C20—H20C109.5
C1—C2—H2119.2H20B—C20—H20C109.5
C4—C3—C2120.7 (3)O3—C21—C22119.8 (3)
C4—C3—H3119.7O3—C21—C26124.0 (3)
C2—C3—H3119.7C22—C21—C26116.2 (3)
C5—C4—C3119.5 (3)C23—C22—C21120.8 (3)
C5—C4—H4120.3C23—C22—H22119.6
C3—C4—H4120.3C21—C22—H22119.6
C4—C5—C6121.5 (3)C24—C23—C22122.1 (3)
C4—C5—H5119.3C24—C23—H23119.0
C6—C5—H5119.3C22—C23—H23118.9
C5—C6—C1119.4 (3)C25—C24—C23118.7 (3)
C5—C6—C7119.0 (3)C25—C24—H24120.7
C1—C6—C7121.5 (3)C23—C24—H24120.7
N1—C7—C6126.6 (3)C24—C25—C26121.5 (3)
N1—C7—H7116.7C24—C25—H25119.3
C6—C7—H7116.7C26—C25—H25119.3
C9—C8—N1122.6 (5)C25—C26—C21120.7 (3)
C9—C8—H8A106.7C25—C26—C27119.0 (3)
N1—C8—H8A106.7C21—C26—C27120.3 (3)
C9—C8—H8B106.7N3—C27—C26127.1 (3)
N1—C8—H8B106.7N3—C27—H27116.4
H8A—C8—H8B106.6C26—C27—H27116.4
C8—C9—C10117.7 (5)N3—C28—C29119.0 (3)
C8—C9—H9A107.9N3—C28—H28A107.6
C10—C9—H9A107.9C29—C28—H28A107.6
C8—C9—H9B107.9N3—C28—H28B107.6
C10—C9—H9B107.9C29—C28—H28B107.6
H9A—C9—H9B107.2H28A—C28—H28B107.0
C9—C10—H10A109.5C28—C29—C30110.2 (3)
C9—C10—H10B109.5C28—C29—H29A109.6
H10A—C10—H10B109.5C30—C29—H29A109.6
C9—C10—H10C109.5C28—C29—H29B109.6
H10A—C10—H10C109.5C30—C29—H29B109.6
H10B—C10—H10C109.5H29A—C29—H29B108.1
O2—C11—C12117.8 (3)C29—C30—H30A109.5
O2—C11—C16124.4 (3)C29—C30—H30B109.5
C12—C11—C16117.8 (3)H30A—C30—H30B109.5
C13—C12—C11121.1 (4)C29—C30—H30C109.5
C13—C12—H12119.4H30A—C30—H30C109.5
C11—C12—H12119.4H30B—C30—H30C109.5
C14—C13—C12121.1 (4)C7—N1—C8117.1 (3)
C14—C13—H13119.4C7—N1—Co1123.3 (2)
C12—C13—H13119.4C8—N1—Co1118.9 (2)
C15—C14—C13119.6 (4)C17—N2—C18117.0 (3)
C15—C14—H14120.2C17—N2—Co1122.7 (2)
C13—C14—H14120.2C18—N2—Co1120.3 (2)
C14—C15—C16121.1 (4)C27—N3—C28119.0 (2)
C14—C15—H15119.4C27—N3—Co1121.2 (2)
C16—C15—H15119.4C28—N3—Co1119.82 (19)
C15—C16—C11119.2 (4)C1—O1—Co1125.85 (17)
C15—C16—C17118.2 (4)C11—O2—Co1126.1 (2)
C11—C16—C17122.6 (3)C21—O3—Co1120.51 (17)

Experimental details

Crystal data
Chemical formula[Co(C10H12NO)3]
Mr545.55
Crystal system, space groupTetragonal, I41/a
Temperature (K)293
a, c (Å)19.588 (3), 29.877 (6)
V3)11464 (3)
Z16
Radiation typeMo Kα
µ (mm1)0.63
Crystal size (mm)0.43 × 0.28 × 0.22
Data collection
DiffractometerBruker APEXII CCD
diffractometer
Absorption correctionMulti-scan
(SADABS; Bruker, 2001)
Tmin, Tmax0.773, 0.873
No. of measured, independent and
observed [I > 2σ(I)] reflections
41404, 5133, 3104
Rint0.075
(sin θ/λ)max1)0.601
Refinement
R[F2 > 2σ(F2)], wR(F2), S 0.047, 0.092, 1.00
No. of reflections5133
No. of parameters337
H-atom treatmentH-atom parameters constrained
Δρmax, Δρmin (e Å3)0.29, 0.22

Computer programs: APEX2 (Bruker, 2004), SAINT-Plus (Bruker, 2001), SHELXS97 (Sheldrick, 2008), SHELXL97 (Sheldrick, 2008), SHELXTL (Sheldrick, 2008).

 

Acknowledgements

The authors are grateful for financial support from the Scientific Research Foundation of Outstanding Talented Persons of Henan Province (grant No. 74200510014).

References

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