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

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ISSN: 2056-9890

Chloridobis(1,10-phenanthroline-κ2N,N′)(2,2,2-tri­chloro­acetato-κO)cobalt(II)

aSchool of Electronics and Computer Science and Technology, North University of China, Taiyuan 030051, People's Republic of China, bSchool of Materials Science and Engineering, North University of China, Taiyuan 030051, People's Republic of China, and cSchool of Electronic Science and Technology, North University of China, Taiyuan 030051, People's Republic of China
*Correspondence e-mail: kxin_2010@163.com

(Received 14 December 2009; accepted 19 December 2009; online 24 December 2009)

The title compound, [Co(C2Cl3O2)Cl(C12H8N2)2], was obtained by the reaction of trichloro­acetic acid and CoCl2 in the presence of 1,10-phenanthroline. The CoII ion exhibits a distorted octa­hedral geometry, with three N atoms from two 1,10-phenanthroline ligands and the Cl ion in the equatorial plane and one O atom from the trichloro­acetate ligand and one phenanthroline N atom in axial positions. This compound is isostructural with the analogous MnII complex. The trichloro­methyl group of the trichloro­acetate ligand is disordered over two positions with occupancies of 0.190 (5) and 0.810 (5).

Related literature

For the structure of isostructural MnII complex, see: Chen et al. (2006[Chen, L., Wang, X.-W., Chen, F.-P., Chen, Y. & Chen, J.-Z. (2006). Acta Cryst. E62, m1743-m1745.]).

[Scheme 1]

Experimental

Crystal data
  • [Co(C2Cl3O2)Cl(C12H8N2)2]

  • Mr = 617.16

  • Monoclinic, P 21 /c

  • a = 18.2170 (6) Å

  • b = 10.4612 (4) Å

  • c = 14.6638 (7) Å

  • β = 112.685 (1)°

  • V = 2578.32 (18) Å3

  • Z = 4

  • Mo Kα radiation

  • μ = 1.12 mm−1

  • T = 293 K

  • 0.26 × 0.20 × 0.18 mm

Data collection
  • Bruker SMART APEX diffractometer

  • Absorption correction: multi-scan (SADABS; Sheldrick, 2005[Sheldrick, G. M. (2005). SADABS. University of Göttingen, Germany.]) Tmin = 0.760, Tmax = 0.824

  • 13155 measured reflections

  • 4536 independent reflections

  • 3821 reflections with I > 2σ(I)

  • Rint = 0.047

Refinement
  • R[F2 > 2σ(F2)] = 0.031

  • wR(F2) = 0.086

  • S = 1.01

  • 4536 reflections

  • 344 parameters

  • H-atom parameters constrained

  • Δρmax = 0.56 e Å−3

  • Δρmin = −0.62 e Å−3

Table 1
Selected bond lengths (Å)

Co1—O2 2.078 (2)
Co1—N4 2.155 (2)
Co1—N3 2.161 (2)
Co1—N2 2.172 (2)
Co1—N1 2.190 (2)
Co1—Cl4 2.3985 (6)

Data collection: SMART (Bruker, 2005[Bruker (2005). SMART and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.]); cell refinement: SAINT (Bruker, 2005[Bruker (2005). SMART and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.]); data reduction: SAINT; 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: SHELXL97.

Supporting information


Comment top

The molecular structure of the title compound is shown in Fig. 1. The Co atom exhibits a distorted octahedral geometry. The metal ion deviates from the plane defined by three N atoms from two phenantroline molecules and the chlorido ligand by 0.0881 (2) Å.

Related literature top

For the structure of isostructural MnII complex, see: Chen et al. (2006).

Experimental top

The reaction was carried out by the hydrothermal method. Trichloroacetic acid (0.082 g, 0.5 mmol), CoCl2.6H2O.(0.119 g, 0.5 mmol) and 1,10-phenanthroline (0.180 g, 1 mmol) were added to the airtight vessel containing 20 ml of water/methanol mixture in 2:1 ratio. The reaction was carried out at 303 K for 4 days and than cooled down. Resulting brown solution was filtered and brown block-shaped crystals appeared within a few days. Yield 76%; analysis calc. for C26H16Cl4CoN4O2: C 50.60, H 2.61, N 9.08%; found: C 50.91, H 2.25, N 9.34%. The elemental analyses were performed with PERKIN ELMER Model 2400 Series II.

Refinement top

H atoms were positioned geometrically and treated as riding with with C—H = 0.93 Å and Uiso(H) = 1.2Ueq(C). The trichloromethyl group is disordered. Occupancies of Cl atoms in two positions refined at 0.190 (5) and 0.810 (5).. No restraints were imposed on the geometry of the disordered group.

Computing details top

Data collection: SMART (Bruker, 2005); cell refinement: SAINT (Bruker, 2005); data reduction: SAINT (Bruker, 2005); 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: SHELXL97 (Sheldrick, 2008).

Figures top
[Figure 1] Fig. 1. The molecular structure of title compound, with atom labels and 30% probability displacement ellipsoids for non-H atoms.
Chloridobis(1,10-phenanthroline-κ2N,N')(2,2,2- trichloroacetato-κO)cobalt(II) top
Crystal data top
[Co(C2Cl3O2)Cl(C12H8N2)2]F(000) = 1244
Mr = 617.16Dx = 1.595 Mg m3
Monoclinic, P21/cMo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ybcCell parameters from 7284 reflections
a = 18.2170 (6) Åθ = 2.3–28.1°
b = 10.4612 (4) ŵ = 1.12 mm1
c = 14.6638 (7) ÅT = 293 K
β = 112.685 (1)°Block, brown
V = 2578.32 (18) Å30.26 × 0.20 × 0.18 mm
Z = 4
Data collection top
Bruker SMART APEX
diffractometer
4536 independent reflections
Radiation source: fine-focus sealed tube3821 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.047
Detector resolution: 0 pixels mm-1θmax = 25.1°, θmin = 2.3°
phi and ω scansh = 1721
Absorption correction: multi-scan
(SADABS; Sheldrick, 2005)
k = 1112
Tmin = 0.760, Tmax = 0.824l = 1716
13155 measured reflections
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)] = 0.031Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.086H-atom parameters constrained
S = 1.01 w = 1/[σ2(Fo2) + (0.042P)2 + 0.9036P]
where P = (Fo2 + 2Fc2)/3
4536 reflections(Δ/σ)max = 0.001
344 parametersΔρmax = 0.56 e Å3
0 restraintsΔρmin = 0.62 e Å3
Crystal data top
[Co(C2Cl3O2)Cl(C12H8N2)2]V = 2578.32 (18) Å3
Mr = 617.16Z = 4
Monoclinic, P21/cMo Kα radiation
a = 18.2170 (6) ŵ = 1.12 mm1
b = 10.4612 (4) ÅT = 293 K
c = 14.6638 (7) Å0.26 × 0.20 × 0.18 mm
β = 112.685 (1)°
Data collection top
Bruker SMART APEX
diffractometer
4536 independent reflections
Absorption correction: multi-scan
(SADABS; Sheldrick, 2005)
3821 reflections with I > 2σ(I)
Tmin = 0.760, Tmax = 0.824Rint = 0.047
13155 measured reflections
Refinement top
R[F2 > 2σ(F2)] = 0.0310 restraints
wR(F2) = 0.086H-atom parameters constrained
S = 1.01Δρmax = 0.56 e Å3
4536 reflectionsΔρmin = 0.62 e Å3
344 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*/UeqOcc. (<1)
Co10.290424 (16)0.88315 (3)0.12391 (2)0.03091 (10)
N10.39845 (10)0.79092 (17)0.12432 (13)0.0340 (4)
N20.36251 (10)1.04002 (17)0.10756 (13)0.0360 (4)
N30.19137 (10)1.00424 (18)0.11353 (13)0.0347 (4)
N40.22255 (11)0.89736 (17)0.03298 (13)0.0349 (4)
O10.11352 (10)0.7113 (2)0.04032 (17)0.0690 (6)
O20.24513 (9)0.69856 (14)0.10847 (11)0.0389 (4)
Cl10.1960 (6)0.5139 (6)0.0763 (5)0.0730 (5)0.190 (5)
Cl20.229 (3)0.430 (3)0.132 (4)0.0645 (8)0.190 (5)
Cl30.0807 (13)0.462 (2)0.0130 (11)0.1180 (11)0.190 (5)
Cl1'0.23758 (16)0.50950 (12)0.04800 (13)0.0730 (5)0.810 (5)
Cl2'0.2220 (6)0.4154 (7)0.1267 (8)0.0645 (8)0.810 (5)
Cl3'0.0798 (3)0.4598 (4)0.0455 (2)0.1180 (11)0.810 (5)
Cl40.34432 (3)0.89244 (5)0.30104 (4)0.04054 (15)
C10.17636 (16)0.5183 (2)0.02503 (19)0.0511 (6)
C20.17667 (13)0.6599 (2)0.06043 (16)0.0364 (5)
C40.41513 (14)0.6677 (2)0.13065 (18)0.0424 (5)
H40.37590.61000.12940.051*
C50.48902 (15)0.6199 (2)0.13921 (19)0.0500 (6)
H50.49800.53220.14230.060*
C60.54786 (14)0.7022 (3)0.14301 (19)0.0491 (6)
H60.59750.67120.14960.059*
C70.53335 (13)0.8331 (2)0.13705 (16)0.0395 (5)
C80.45653 (12)0.8735 (2)0.12710 (15)0.0325 (5)
C90.43734 (12)1.0069 (2)0.11826 (15)0.0327 (5)
C100.49480 (14)1.0973 (2)0.11934 (17)0.0405 (5)
C110.47207 (15)1.2252 (2)0.10689 (19)0.0505 (6)
H110.50821.28820.10710.061*
C120.39604 (16)1.2573 (2)0.0943 (2)0.0547 (7)
H120.37971.34220.08500.066*
C130.34353 (14)1.1621 (2)0.09570 (19)0.0467 (6)
H130.29221.18560.08780.056*
C140.57281 (14)1.0536 (3)0.13301 (19)0.0498 (6)
H140.61181.11310.13680.060*
C150.59105 (14)0.9289 (3)0.14048 (19)0.0506 (6)
H150.64200.90370.14800.061*
C160.23604 (15)0.8363 (3)0.10371 (17)0.0446 (6)
H160.28080.78440.08650.054*
C170.18590 (17)0.8463 (3)0.20312 (18)0.0590 (7)
H170.19630.79970.25080.071*
C180.12179 (17)0.9246 (3)0.22945 (19)0.0578 (7)
H180.08900.93400.29580.069*
C190.10473 (14)0.9916 (2)0.15691 (17)0.0431 (5)
C200.15708 (12)0.9720 (2)0.05844 (16)0.0344 (5)
C210.14063 (12)1.0312 (2)0.01997 (16)0.0328 (5)
C220.07409 (13)1.1109 (2)0.00170 (18)0.0389 (5)
C230.06112 (14)1.1647 (2)0.0780 (2)0.0465 (6)
H230.01771.21820.06710.056*
C240.11226 (15)1.1384 (3)0.1715 (2)0.0498 (6)
H240.10441.17410.22510.060*
C250.17703 (15)1.0572 (2)0.18682 (17)0.0440 (6)
H250.21151.03970.25140.053*
C260.02322 (14)1.1322 (2)0.1033 (2)0.0487 (6)
H260.02071.18570.11850.058*
C270.03816 (15)1.0759 (3)0.17682 (19)0.0509 (6)
H270.00461.09190.24200.061*
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Co10.02742 (16)0.03019 (17)0.03545 (17)0.00155 (11)0.01248 (13)0.00274 (12)
N10.0299 (9)0.0333 (10)0.0382 (10)0.0020 (8)0.0124 (8)0.0025 (8)
N20.0326 (10)0.0319 (10)0.0427 (10)0.0007 (8)0.0135 (8)0.0015 (8)
N30.0319 (9)0.0373 (10)0.0358 (9)0.0029 (8)0.0141 (8)0.0018 (8)
N40.0331 (9)0.0361 (10)0.0379 (10)0.0018 (8)0.0165 (8)0.0033 (8)
O10.0364 (10)0.0618 (12)0.1007 (16)0.0080 (9)0.0175 (10)0.0022 (12)
O20.0374 (9)0.0346 (8)0.0444 (9)0.0048 (7)0.0153 (7)0.0011 (7)
Cl10.0975 (14)0.0771 (6)0.0503 (7)0.0091 (8)0.0352 (9)0.0132 (5)
Cl20.085 (2)0.039 (2)0.0671 (15)0.0147 (14)0.0268 (15)0.0094 (15)
Cl30.0788 (7)0.0729 (7)0.132 (2)0.0317 (5)0.0366 (18)0.0075 (18)
Cl1'0.0975 (14)0.0771 (6)0.0503 (7)0.0091 (8)0.0352 (9)0.0132 (5)
Cl2'0.085 (2)0.039 (2)0.0671 (15)0.0147 (14)0.0268 (15)0.0094 (15)
Cl3'0.0788 (7)0.0729 (7)0.132 (2)0.0317 (5)0.0366 (18)0.0075 (18)
Cl40.0363 (3)0.0438 (3)0.0378 (3)0.0023 (2)0.0102 (2)0.0029 (2)
C10.0529 (15)0.0415 (14)0.0488 (14)0.0056 (12)0.0083 (12)0.0031 (12)
C20.0328 (12)0.0406 (12)0.0364 (11)0.0010 (10)0.0141 (10)0.0060 (10)
C40.0405 (13)0.0347 (12)0.0517 (14)0.0037 (10)0.0175 (11)0.0037 (11)
C50.0478 (15)0.0431 (14)0.0580 (16)0.0132 (12)0.0191 (13)0.0008 (12)
C60.0373 (13)0.0576 (16)0.0536 (15)0.0134 (12)0.0187 (11)0.0004 (13)
C70.0326 (12)0.0509 (14)0.0351 (12)0.0039 (11)0.0132 (10)0.0011 (11)
C80.0291 (11)0.0394 (12)0.0281 (10)0.0001 (9)0.0101 (9)0.0000 (9)
C90.0296 (11)0.0386 (12)0.0288 (10)0.0033 (9)0.0100 (9)0.0014 (9)
C100.0383 (13)0.0444 (14)0.0375 (12)0.0103 (10)0.0131 (10)0.0036 (10)
C110.0487 (15)0.0430 (15)0.0584 (15)0.0164 (12)0.0190 (13)0.0025 (12)
C120.0532 (15)0.0335 (13)0.0740 (18)0.0048 (11)0.0207 (14)0.0020 (13)
C130.0406 (13)0.0348 (13)0.0637 (16)0.0012 (11)0.0189 (12)0.0033 (12)
C140.0342 (13)0.0600 (17)0.0561 (15)0.0138 (12)0.0185 (11)0.0052 (13)
C150.0294 (12)0.0687 (18)0.0535 (15)0.0018 (12)0.0159 (11)0.0054 (14)
C160.0477 (13)0.0512 (14)0.0424 (13)0.0060 (12)0.0257 (11)0.0028 (12)
C170.0686 (18)0.077 (2)0.0373 (13)0.0120 (16)0.0266 (13)0.0001 (13)
C180.0593 (17)0.0757 (19)0.0336 (13)0.0056 (15)0.0126 (12)0.0058 (13)
C190.0401 (13)0.0494 (14)0.0367 (12)0.0021 (11)0.0114 (10)0.0057 (11)
C200.0304 (11)0.0355 (12)0.0370 (11)0.0028 (9)0.0128 (9)0.0039 (10)
C210.0270 (11)0.0298 (11)0.0405 (12)0.0017 (9)0.0118 (9)0.0034 (9)
C220.0293 (11)0.0332 (12)0.0515 (14)0.0003 (9)0.0128 (10)0.0035 (10)
C230.0375 (13)0.0414 (13)0.0639 (16)0.0083 (11)0.0233 (12)0.0014 (12)
C240.0509 (15)0.0520 (15)0.0535 (15)0.0090 (12)0.0278 (13)0.0039 (13)
C250.0454 (13)0.0492 (14)0.0395 (12)0.0066 (11)0.0186 (11)0.0003 (11)
C260.0337 (12)0.0450 (14)0.0580 (16)0.0089 (11)0.0073 (11)0.0098 (12)
C270.0426 (14)0.0561 (16)0.0428 (13)0.0062 (12)0.0040 (11)0.0097 (13)
Geometric parameters (Å, º) top
Co1—O22.078 (2)C9—C101.406 (3)
Co1—N42.155 (2)C10—C111.392 (4)
Co1—N32.161 (2)C10—C141.431 (3)
Co1—N22.172 (2)C11—C121.367 (4)
Co1—N12.190 (2)C11—H110.9300
Co1—Cl42.3985 (6)C12—C131.386 (3)
N1—C41.320 (3)C12—H120.9300
N1—C81.355 (3)C13—H130.9300
N2—C131.316 (3)C14—C151.340 (4)
N2—C91.356 (3)C14—H140.9300
N3—C251.321 (3)C15—H150.9300
N3—C211.356 (3)C16—C171.394 (3)
N4—C161.320 (3)C16—H160.9300
N4—C201.352 (3)C17—C181.355 (4)
O1—C21.199 (3)C17—H170.9300
O2—C21.240 (3)C18—C191.405 (4)
Cl1—C11.658 (6)C18—H180.9300
Cl2—C11.75 (5)C19—C201.405 (3)
Cl3—C11.72 (2)C19—C271.435 (4)
Cl1'—C11.822 (3)C20—C211.436 (3)
Cl2'—C11.766 (11)C21—C221.403 (3)
Cl3'—C11.770 (4)C22—C231.398 (3)
C1—C21.569 (3)C22—C261.436 (3)
C4—C51.395 (3)C23—C241.355 (4)
C4—H40.9300C23—H230.9300
C5—C61.359 (4)C24—C251.400 (3)
C5—H50.9300C24—H240.9300
C6—C71.390 (4)C25—H250.9300
C6—H60.9300C26—C271.346 (4)
C7—C81.415 (3)C26—H260.9300
C7—C151.439 (3)C27—H270.9300
C8—C91.432 (3)
O2—Co1—N484.70 (6)N2—C9—C10122.7 (2)
O2—Co1—N3104.56 (6)N2—C9—C8117.34 (19)
N4—Co1—N376.40 (7)C10—C9—C8120.0 (2)
O2—Co1—N2157.18 (6)C11—C10—C9117.6 (2)
N4—Co1—N287.28 (7)C11—C10—C14123.7 (2)
N3—Co1—N294.21 (7)C9—C10—C14118.8 (2)
O2—Co1—N184.80 (6)C12—C11—C10119.2 (2)
N4—Co1—N1100.27 (7)C12—C11—H11120.4
N3—Co1—N1169.56 (7)C10—C11—H11120.4
N2—Co1—N175.65 (7)C11—C12—C13119.4 (2)
O2—Co1—Cl497.77 (5)C11—C12—H12120.3
N4—Co1—Cl4168.35 (5)C13—C12—H12120.3
N3—Co1—Cl491.98 (5)N2—C13—C12123.4 (2)
N2—Co1—Cl494.39 (5)N2—C13—H13118.3
N1—Co1—Cl491.31 (5)C12—C13—H13118.3
C4—N1—C8117.74 (19)C15—C14—C10121.6 (2)
C4—N1—Co1127.80 (15)C15—C14—H14119.2
C8—N1—Co1114.18 (14)C10—C14—H14119.2
C13—N2—C9117.68 (19)C14—C15—C7121.3 (2)
C13—N2—Co1127.44 (15)C14—C15—H15119.3
C9—N2—Co1114.68 (14)C7—C15—H15119.3
C25—N3—C21117.66 (19)N4—C16—C17122.7 (2)
C25—N3—Co1127.58 (15)N4—C16—H16118.7
C21—N3—Co1114.71 (14)C17—C16—H16118.7
C16—N4—C20118.3 (2)C18—C17—C16119.2 (2)
C16—N4—Co1126.95 (16)C18—C17—H17120.4
C20—N4—Co1114.59 (14)C16—C17—H17120.4
C2—O2—Co1129.44 (15)C17—C18—C19120.3 (2)
C2—C1—Cl1110.4 (3)C17—C18—H18119.9
C2—C1—Cl3107.9 (8)C19—C18—H18119.9
Cl1—C1—Cl3104.0 (7)C20—C19—C18116.4 (2)
C2—C1—Cl2105.5 (12)C20—C19—C27119.0 (2)
Cl1—C1—Cl2123.8 (18)C18—C19—C27124.7 (2)
Cl3—C1—Cl2104.3 (15)N4—C20—C19123.0 (2)
C2—C1—Cl2'110.8 (3)N4—C20—C21117.54 (19)
C2—C1—Cl3'113.3 (2)C19—C20—C21119.4 (2)
Cl2'—C1—Cl3'108.8 (3)N3—C21—C22123.0 (2)
C2—C1—Cl1'108.47 (17)N3—C21—C20116.70 (18)
Cl2'—C1—Cl1'105.7 (4)C22—C21—C20120.3 (2)
Cl3'—C1—Cl1'109.5 (2)C23—C22—C21117.4 (2)
O1—C2—O2130.7 (2)C23—C22—C26123.7 (2)
O1—C2—C1117.5 (2)C21—C22—C26118.9 (2)
O2—C2—C1111.7 (2)C24—C23—C22119.5 (2)
N1—C4—C5123.0 (2)C24—C23—H23120.3
N1—C4—H4118.5C22—C23—H23120.3
C5—C4—H4118.5C23—C24—C25119.6 (2)
C6—C5—C4119.7 (2)C23—C24—H24120.2
C6—C5—H5120.2C25—C24—H24120.2
C4—C5—H5120.2N3—C25—C24122.9 (2)
C5—C6—C7119.6 (2)N3—C25—H25118.6
C5—C6—H6120.2C24—C25—H25118.6
C7—C6—H6120.2C27—C26—C22120.9 (2)
C6—C7—C8117.2 (2)C27—C26—H26119.5
C6—C7—C15124.4 (2)C22—C26—H26119.5
C8—C7—C15118.4 (2)C26—C27—C19121.5 (2)
N1—C8—C7122.8 (2)C26—C27—H27119.3
N1—C8—C9117.28 (18)C19—C27—H27119.3
C7—C8—C9119.9 (2)
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
C17—H17···O2i0.932.543.364 (3)148
C11—H11···Cl4ii0.932.733.548 (2)148
C23—H23···O1iii0.932.423.249 (3)149
Symmetry codes: (i) x, y+3/2, z1/2; (ii) x+1, y+1/2, z+1/2; (iii) x, y+2, z.

Experimental details

Crystal data
Chemical formula[Co(C2Cl3O2)Cl(C12H8N2)2]
Mr617.16
Crystal system, space groupMonoclinic, P21/c
Temperature (K)293
a, b, c (Å)18.2170 (6), 10.4612 (4), 14.6638 (7)
β (°) 112.685 (1)
V3)2578.32 (18)
Z4
Radiation typeMo Kα
µ (mm1)1.12
Crystal size (mm)0.26 × 0.20 × 0.18
Data collection
DiffractometerBruker SMART APEX
diffractometer
Absorption correctionMulti-scan
(SADABS; Sheldrick, 2005)
Tmin, Tmax0.760, 0.824
No. of measured, independent and
observed [I > 2σ(I)] reflections
13155, 4536, 3821
Rint0.047
(sin θ/λ)max1)0.596
Refinement
R[F2 > 2σ(F2)], wR(F2), S 0.031, 0.086, 1.01
No. of reflections4536
No. of parameters344
H-atom treatmentH-atom parameters constrained
Δρmax, Δρmin (e Å3)0.56, 0.62

Computer programs: SMART (Bruker, 2005), SAINT (Bruker, 2005), SHELXS97 (Sheldrick, 2008), SHELXL97 (Sheldrick, 2008), SHELXTL (Sheldrick, 2008).

Selected bond lengths (Å) top
Co1—O22.078 (2)Co1—N22.172 (2)
Co1—N42.155 (2)Co1—N12.190 (2)
Co1—N32.161 (2)Co1—Cl42.3985 (6)
 

References

First citationBruker (2005). SMART and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.  Google Scholar
First citationChen, L., Wang, X.-W., Chen, F.-P., Chen, Y. & Chen, J.-Z. (2006). Acta Cryst. E62, m1743–m1745.  Web of Science CSD CrossRef IUCr Journals Google Scholar
First citationSheldrick, G. M. (2005). SADABS. University of Göttingen, Germany.  Google Scholar
First citationSheldrick, G. M. (2008). Acta Cryst. A64, 112–122.  Web of Science CrossRef CAS IUCr Journals Google Scholar

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