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In the structure of the title complex, [CoCl2(C9H7N)2], the Co atom is coordinated by two chloride ligands and by two N atoms from two quinoline ligands. The geometry around the Co atom is slightly distorted tetrahedral, with Co-N bond lengths of 2.0697 (18) Å, Co-Cl bond lengths of 2.2445 (7) Å, and N-Co-N and Cl-Co-Cl bond angles of 107.16 (10) and 113.44 (4)°, respectively. The molecule has twofold rotation symmetry.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536801019420/cv6072sup1.cif
Contains datablocks I, global

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536801019420/cv6072Isup2.hkl
Contains datablock I

CCDC reference: 177185

Key indicators

  • Single-crystal X-ray study
  • T = 293 K
  • Mean [sigma](C-C) = 0.004 Å
  • R factor = 0.029
  • wR factor = 0.081
  • Data-to-parameter ratio = 13.3

checkCIF results

No syntax errors found

ADDSYM reports no extra symmetry








Computing details top

Data collection: SMART (Siemens, 1996); cell refinement: SAINT (Siemens, 1994); data reduction: SHELXTL XPREP (Siemens, 1994); program(s) used to solve structure: SHELXTL (Siemens, 1994); program(s) used to refine structure: SHELXTL; molecular graphics: SHELXTL (Sheldrick, 1997); software used to prepare material for publication: SHELXTL.

dichlorobis(quinoline-N)cobalt(II) top
Crystal data top
[CoCl2(C9H7N)2]F(000) = 394
Mr = 388.14Dx = 1.604 Mg m3
Monoclinic, P2/nMo Kα radiation, λ = 0.71073 Å
a = 7.7864 (8) ÅCell parameters from 2138 reflections
b = 7.0874 (7) Åθ = 2.8–25.0°
c = 14.5616 (15) ŵ = 1.40 mm1
β = 90.174 (2)°T = 293 K
V = 803.58 (14) Å3Sheet, purple
Z = 20.24 × 0.18 × 0.10 mm
Data collection top
Siemens SMART CCD
diffractometer
1401 independent reflections
Radiation source: fine-focus sealed tube1202 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.020
ω scansθmax = 25.0°, θmin = 2.8°
Absorption correction: empirical (using intensity measurements)
(SADABS; Sheldrick, 1996)
h = 89
Tmin = 0.673, Tmax = 0.869k = 87
2782 measured reflectionsl = 1317
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)] = 0.029Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.081H-atom parameters constrained
S = 1.02 w = 1/[σ2(Fo2) + (0.0483P)2 + 0.1707P]
where P = (Fo2 + 2Fc2)/3
1401 reflections(Δ/σ)max = 0.006
105 parametersΔρmax = 0.22 e Å3
0 restraintsΔρmin = 0.32 e Å3
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
Co0.25000.30796 (6)0.25000.03620 (17)
Cl0.00916 (9)0.13418 (10)0.25389 (4)0.0511 (2)
N0.2226 (3)0.4813 (3)0.36339 (12)0.0346 (4)
C10.1539 (3)0.6516 (3)0.35280 (17)0.0425 (6)
H10.12470.68930.29360.051*
C20.1224 (4)0.7778 (3)0.42432 (19)0.0480 (6)
H20.07400.89540.41260.058*
C30.1638 (4)0.7254 (3)0.51173 (19)0.0464 (6)
H30.14490.80750.56050.056*
C50.2784 (4)0.4821 (4)0.61718 (16)0.0477 (7)
H50.26390.56180.66730.057*
C40.2355 (3)0.5460 (3)0.52753 (15)0.0361 (5)
C70.3650 (4)0.1845 (4)0.55494 (18)0.0464 (6)
H70.40720.06340.56480.056*
C60.3404 (4)0.3051 (4)0.63000 (17)0.0483 (7)
H60.36680.26360.68900.058*
C80.3280 (3)0.2417 (4)0.46766 (16)0.0405 (6)
H80.34590.16030.41850.049*
C90.2625 (3)0.4247 (3)0.45214 (14)0.0319 (5)
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Co0.0497 (3)0.0354 (3)0.0234 (2)0.0000.00188 (19)0.000
Cl0.0620 (5)0.0537 (4)0.0376 (4)0.0154 (3)0.0020 (3)0.0023 (3)
N0.0417 (11)0.0349 (10)0.0271 (9)0.0022 (8)0.0024 (8)0.0009 (8)
C10.0480 (15)0.0445 (13)0.0350 (13)0.0070 (11)0.0011 (11)0.0049 (10)
C20.0590 (17)0.0330 (13)0.0519 (16)0.0079 (12)0.0055 (13)0.0016 (11)
C30.0615 (17)0.0347 (13)0.0429 (14)0.0025 (12)0.0093 (13)0.0088 (11)
C50.0609 (17)0.0561 (16)0.0261 (12)0.0030 (13)0.0015 (11)0.0081 (11)
C40.0393 (13)0.0390 (13)0.0301 (11)0.0048 (10)0.0000 (9)0.0052 (9)
C70.0521 (16)0.0518 (15)0.0354 (13)0.0129 (12)0.0012 (12)0.0086 (11)
C60.0511 (16)0.0671 (18)0.0267 (12)0.0033 (13)0.0043 (11)0.0061 (12)
C80.0510 (15)0.0408 (12)0.0298 (12)0.0084 (11)0.0022 (10)0.0004 (10)
C90.0358 (12)0.0352 (11)0.0246 (10)0.0002 (10)0.0003 (9)0.0004 (9)
Geometric parameters (Å, º) top
Co—N2.0697 (18)C3—C41.407 (3)
Co—Ni2.0697 (18)C5—C61.357 (4)
Co—Cl2.2445 (7)C5—C41.421 (3)
Co—Cli2.2445 (7)C4—C91.411 (3)
N—C11.329 (3)C7—C81.364 (3)
N—C91.388 (3)C7—C61.401 (4)
C1—C21.395 (4)C8—C91.412 (3)
C2—C31.364 (4)
N—Co—Ni107.16 (10)C2—C3—C4119.4 (2)
N—Co—Cl102.56 (6)C6—C5—C4120.3 (2)
Ni—Co—Cl115.72 (5)C9—C4—C3118.9 (2)
N—Co—Cli115.72 (5)C9—C4—C5119.1 (2)
Ni—Co—Cli102.56 (6)C3—C4—C5122.0 (2)
Cl—Co—Cli113.44 (4)C8—C7—C6121.1 (2)
C1—N—C9117.4 (2)C5—C6—C7120.4 (2)
C1—N—Co119.27 (16)C7—C8—C9119.8 (2)
C9—N—Co123.23 (14)N—C9—C4121.0 (2)
N—C1—C2124.6 (2)N—C9—C8119.64 (19)
C3—C2—C1118.7 (2)C4—C9—C8119.3 (2)
Symmetry code: (i) x+1/2, y, z+1/2.
 

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