Poly[bis­[μ2-1,4-bis­(1,2,4-triazol-1-yl­meth­yl)benzene-κ2N4:N4′]bis(nitrito-κO)cobalt(II)]

Zhu, X.; Guo, Y.; Zou, Y.-L.

doi:10.1107/S1600536809039415

metal-organic compounds

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ISSN: 2056-9890

Volume 66| Part 1| January 2010| Page m85

doi:10.1107/S1600536809039415

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Poly[bis[μ₂-1,4-bis(1,2,4-triazol-1-ylmethyl)benzene-κ²N⁴:N^4′]bis(nitrito-κO)cobalt(II)]

Xia Zhu,^a ^* Ying Guo ^a and Yun-Ling Zou ^a

^aScience College, Civil Aviation University of China, Tianjin 300300, People's Republic of China
^*Correspondence e-mail: xzhu@cauc.edu.cn

(Received 22 September 2009; accepted 28 September 2009; online 19 December 2009)

The Co^II atom in the title complex, [Co(NO₂)₂(C₁₂H₁₂N₆)₂]_n, lies on an inversion center and is coordinated by four N atoms from the triazole rings of two symmetry-related pairs of 1,4-bis(1,2,4-triazol-1-ylmethyl)benzene (bbtz) ligands and two O atoms from two symmetry-related monodentate nitrate ligands in a distorted octahedral geometry. The Co atoms are bridged by four bbtz ligands, forming a two-dimensional (4,4) network parallel to (102).

Related literature

The synthesis of the ligand 1,4-bis(1,2,4-triazol-1-ylmethyl)-benzene (bbtz) was described by Peng et al. (2004 ). Several bbtz complexes have been synthesized and structurally characterized, see: Li et al. (2005 ); Wang et al. (2007 ).

Experimental

Crystal data

[Co(NO₂)₂(C₁₂H₁₂N₆)₂]
M_r = 631.50
Monoclinic, P 2₁ /c
a = 8.3037 (13) Å
b = 20.376 (3) Å
c = 8.4261 (11) Å
β = 104.390 (4)°
V = 1380.9 (3) Å³
Z = 2
Mo Kα radiation
μ = 0.68 mm⁻¹
T = 193 K
0.33 × 0.26 × 0.10 mm

Data collection

Rigaku Mercury CCD diffractometer
Absorption correction: multi-scan (REQAB; Jacobson, 1998 ) T_min = 0.806, T_max = 0.935
15379 measured reflections
3152 independent reflections
2768 reflections with I > 2σ(I)
R_int = 0.032

Refinement

R[F² > 2σ(F²)] = 0.041
wR(F²) = 0.098
S = 1.07
3152 reflections
197 parameters
H-atom parameters constrained
Δρ_max = 0.28 e Å⁻³
Δρ_min = −0.29 e Å⁻³

Table 1
Selected geometric parameters (Å, °)

Co1—O1	2.1031 (15)
Co1—N6ⁱ	2.1418 (16)
Co1—N3	2.1530 (16)

O1ⁱⁱ—Co1—O1	180
O1—Co1—N6ⁱ	85.99 (6)
N6ⁱ—Co1—N6ⁱⁱⁱ	180
O1—Co1—N3	93.70 (6)
N6ⁱ—Co1—N3	90.52 (6)
N3—Co1—N3ⁱⁱ	180
Symmetry codes: (i) $[-x+1, y-{\script{1\over 2}}, -z+{\script{1\over 2}}]$ ; (ii) -x, -y+1, -z+1; (iii) $[x-1, -y+{\script{3\over 2}}, z+{\script{1\over 2}}]$ .

Data collection: CrystalClear (Rigaku, 2000 ); cell refinement: CrystalClear; data reduction: CrystalClear; 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.

Supporting information

Crystal structure: contains datablocks I, global. DOI: 10.1107/S1600536809039415/gk2227sup1.cif

Structure factors: contains datablock I. DOI: 10.1107/S1600536809039415/gk2227Isup2.hkl

checkCIF report

Comment top

The title compound is isostructural with its azido Ni^IIanalog (Wang et al., 2007).

Fig. 1 shows the local coordination of the Co^II atom. In the complex the Co^II atom occupies an inversion center. The coordination geometry of the Co^II atom is a distorted octahedron. Each Co^II atom is coordinated equatorial by four nitrogen atoms from the triazole rings of four bbtz ligands [Co1—N3, 2.1530 (16) Å; Co1—N6 (-x + 1, y - 1/2, -z + 1/2), 2.1418 (16) Å], and axially by two oxygen atoms from two symmetry-related nitrite anions [Co1—O1, 2.1031 (15) Å]. The bbtz ligands shows the trans-gauche conformation, similar to the uncoordinated bbtz molecule (Peng et al., 2004).

As illustrated in Fig.2, each bbtz ligand coordinated to the Co^II atoms through its two triazole nitrogen atoms, thus acting as a bridging bidentate ligand to form a two-dimensional (4,4) network. As a consequence of the symmetry of the crystal structure, the edge lengths are equal, with a vaule of 14.4182 (14) Å. The square-grid sheets are stacked in an offset fashion parallel to the c direction. The off-set half-cell superposition of each pair of adjacent networks divides the voids into smaller rectangle. The nitrile anions of one sheet project into the holes of the next sheet. In the superposition structure, the sheets are arranged in the sequence^···A—B—A—B^··· (Fig.3).

Related literature top

The synthesis of the ligand 1,4-bis(1,2,4-triazol-1-ylmethyl)-benzene (bbtz) was described by Peng et al. (2004). Several bbtz complexes have been synthesized and structurally characterized, see: Li et al. (2005; Wang et al. (2007).

Experimental top

A H₂O/MeOH solution (20 ml, 1:1 v/v) of Co(ClO₄)₂^.6H₂O (0.50 mmol) and NaNO₂ (2.0 mmol) was added to one leg of a "H-shaped" tube, and a H₂O/MeOH solution (20 ml, 1:1 v/v) of bbtz (0.240 g, 1.00 mmol) was added to the other leg of the tube. After several weeks, the well shaped red single crystals were obtained. Found: C, 45.57; H, 3.79; N, 30.94%. Calcd. for C₂₄H_24CoN₁₄O₄: C, 45.65; H, 3.83; N, 31.06%.

Computing details top

Data collection: CrystalClear (Rigaku, 2000); cell refinement: CrystalClear (Rigaku, 2000); data reduction: CrystalClear (Rigaku, 2000); 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

	Fig. 1. The coordination environment of the Co^II atom in the title compound. Ellipsoids are drawn at the 30% probability level. [Symmetry codes # -x, -y + 1, -z + 1; $ -x + 1, y - 1/2, -z + 1/2; * x - 1, -y + 3/2, z + 1/2]. The hydrogen atoms have been omitted for clarity.
	Fig. 2. View of the two-dimensional (4,4) network of the title compound along the c direction.
	Fig. 3. The cell packing of the title compound.

Poly[bis[µ₂-1,4-bis(1,2,4-triazol-1-ylmethyl)benzene- κ²N⁴:N^4']bis(nitrito-κO)cobalt(II)] top

Crystal data top

[Co(NO₂)₂(C₁₂H₁₂N₆)₂]	F(000) = 650
M_r = 631.50	D_x = 1.519 Mg m⁻³
Monoclinic, P2₁/c	Mo Kα radiation, λ = 0.71073 Å
a = 8.3037 (13) Å	Cell parameters from 5616 reflections
b = 20.376 (3) Å	θ = 3.1–27.5°
c = 8.4261 (11) Å	µ = 0.68 mm⁻¹
β = 104.390 (4)°	T = 193 K
V = 1380.9 (3) Å³	Block, red
Z = 2	0.33 × 0.26 × 0.10 mm

Data collection top

Rigaku Mercury CCD diffractometer	3152 independent reflections
Radiation source: fine-focus sealed tube	2768 reflections with I > 2σ(I)
Graphite monochromator	R_int = 0.032
ω scans	θ_max = 27.5°, θ_min = 3.2°
Absorption correction: multi-scan (REQAB; Jacobson, 1998)	h = −10→10
T_min = 0.806, T_max = 0.935	k = −26→26
15379 measured reflections	l = −10→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)] = 0.041	Hydrogen site location: inferred from neighbouring sites
wR(F²) = 0.098	H-atom parameters constrained
S = 1.07	w = 1/[σ²(F_o²) + (0.0436P)² + 0.7485P] where P = (F_o² + 2F_c²)/3
3152 reflections	(Δ/σ)_max < 0.001
197 parameters	Δρ_max = 0.28 e Å⁻³
0 restraints	Δρ_min = −0.29 e Å⁻³

Crystal data top

[Co(NO₂)₂(C₁₂H₁₂N₆)₂]	V = 1380.9 (3) Å³
M_r = 631.50	Z = 2
Monoclinic, P2₁/c	Mo Kα radiation
a = 8.3037 (13) Å	µ = 0.68 mm⁻¹
b = 20.376 (3) Å	T = 193 K
c = 8.4261 (11) Å	0.33 × 0.26 × 0.10 mm
β = 104.390 (4)°

Data collection top

Rigaku Mercury CCD diffractometer	3152 independent reflections
Absorption correction: multi-scan (REQAB; Jacobson, 1998)	2768 reflections with I > 2σ(I)
T_min = 0.806, T_max = 0.935	R_int = 0.032
15379 measured reflections

Refinement top

R[F² > 2σ(F²)] = 0.041	0 restraints
wR(F²) = 0.098	H-atom parameters constrained
S = 1.07	Δρ_max = 0.28 e Å⁻³
3152 reflections	Δρ_min = −0.29 e Å⁻³
197 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	U_iso*/U_eq
Co1	0.0000	0.5000	0.5000	0.02085 (12)
O1	0.25015 (18)	0.50405 (7)	0.6333 (2)	0.0350 (4)
O2	0.48900 (19)	0.54314 (9)	0.7278 (2)	0.0461 (4)
N1	0.1620 (2)	0.57944 (8)	0.0939 (2)	0.0273 (4)
N2	−0.0036 (2)	0.58502 (11)	0.0290 (2)	0.0412 (5)
N3	0.0484 (2)	0.54604 (8)	0.2865 (2)	0.0257 (3)
N4	0.8222 (2)	0.83452 (8)	0.2102 (2)	0.0274 (4)
N5	0.9542 (2)	0.80233 (9)	0.1784 (2)	0.0349 (4)
N6	0.93982 (19)	0.90596 (8)	0.08323 (19)	0.0253 (3)
N7	0.3509 (2)	0.54893 (10)	0.6299 (2)	0.0425 (5)
C1	0.3965 (2)	0.65065 (10)	0.0737 (2)	0.0282 (4)
C2	0.5418 (3)	0.63661 (11)	0.1894 (3)	0.0343 (5)
H2A	0.5699	0.5923	0.2188	0.041*
C3	0.6470 (3)	0.68667 (11)	0.2632 (3)	0.0339 (5)
H3A	0.7471	0.6762	0.3419	0.041*
C4	0.6084 (3)	0.75136 (10)	0.2239 (2)	0.0289 (4)
C5	0.4628 (3)	0.76574 (11)	0.1061 (3)	0.0376 (5)
H5A	0.4353	0.8101	0.0766	0.045*
C6	0.3576 (3)	0.71570 (11)	0.0315 (3)	0.0364 (5)
H6A	0.2585	0.7260	−0.0488	0.044*
C7	0.2823 (3)	0.59545 (11)	−0.0029 (3)	0.0333 (5)
H7A	0.2214	0.6082	−0.1151	0.040*
H7B	0.3494	0.5560	−0.0112	0.040*
C8	0.7201 (3)	0.80549 (11)	0.3108 (3)	0.0370 (5)
H8A	0.6508	0.8403	0.3425	0.044*
H8B	0.7939	0.7877	0.4125	0.044*
C9	−0.0655 (3)	0.56403 (12)	0.1496 (3)	0.0371 (5)
H9A	−0.1817	0.5618	0.1406	0.044*
C10	0.1907 (3)	0.55662 (11)	0.2456 (2)	0.0312 (5)
H10A	0.2979	0.5489	0.3153	0.037*
C11	1.0198 (3)	0.84752 (10)	0.1016 (3)	0.0317 (5)
H11A	1.1157	0.8397	0.0621	0.038*
C12	0.8157 (2)	0.89541 (10)	0.1543 (2)	0.0269 (4)
H12A	0.7344	0.9270	0.1635	0.032*

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
Co1	0.01814 (19)	0.02220 (19)	0.0236 (2)	−0.00012 (13)	0.00787 (14)	0.00201 (14)
O1	0.0210 (7)	0.0348 (8)	0.0459 (9)	−0.0049 (6)	0.0020 (6)	0.0075 (7)
O2	0.0229 (8)	0.0624 (11)	0.0527 (10)	−0.0088 (7)	0.0087 (7)	−0.0060 (9)
N1	0.0262 (9)	0.0307 (9)	0.0257 (8)	−0.0063 (7)	0.0079 (7)	0.0017 (7)
N2	0.0296 (10)	0.0549 (13)	0.0378 (10)	−0.0010 (9)	0.0058 (8)	0.0142 (9)
N3	0.0251 (8)	0.0266 (8)	0.0273 (8)	0.0002 (6)	0.0101 (6)	0.0036 (7)
N4	0.0262 (8)	0.0276 (8)	0.0291 (9)	−0.0053 (7)	0.0083 (7)	−0.0024 (7)
N5	0.0296 (9)	0.0304 (9)	0.0455 (11)	0.0004 (7)	0.0108 (8)	0.0020 (8)
N6	0.0221 (8)	0.0260 (8)	0.0289 (8)	−0.0026 (6)	0.0084 (6)	−0.0019 (7)
N7	0.0331 (10)	0.0523 (12)	0.0406 (11)	−0.0124 (9)	0.0061 (8)	0.0041 (9)
C1	0.0274 (10)	0.0323 (11)	0.0283 (10)	−0.0054 (8)	0.0135 (8)	0.0017 (8)
C2	0.0330 (11)	0.0293 (11)	0.0412 (12)	−0.0004 (9)	0.0101 (9)	0.0087 (9)
C3	0.0288 (11)	0.0365 (11)	0.0342 (11)	−0.0014 (9)	0.0034 (9)	0.0089 (9)
C4	0.0293 (10)	0.0314 (10)	0.0284 (10)	−0.0053 (8)	0.0118 (8)	0.0013 (8)
C5	0.0344 (12)	0.0282 (11)	0.0499 (14)	−0.0001 (9)	0.0098 (10)	0.0077 (10)
C6	0.0284 (11)	0.0389 (12)	0.0394 (12)	0.0001 (9)	0.0035 (9)	0.0091 (10)
C7	0.0368 (12)	0.0396 (12)	0.0281 (10)	−0.0116 (9)	0.0167 (9)	−0.0018 (9)
C8	0.0424 (13)	0.0397 (12)	0.0323 (11)	−0.0137 (10)	0.0154 (10)	−0.0017 (10)
C9	0.0244 (11)	0.0480 (13)	0.0404 (12)	0.0020 (9)	0.0110 (9)	0.0111 (10)
C10	0.0249 (10)	0.0411 (12)	0.0280 (10)	−0.0036 (8)	0.0069 (8)	0.0064 (9)
C11	0.0244 (10)	0.0303 (10)	0.0414 (12)	−0.0003 (8)	0.0099 (9)	−0.0019 (9)
C12	0.0242 (10)	0.0267 (10)	0.0309 (10)	−0.0022 (8)	0.0088 (8)	−0.0022 (8)

Geometric parameters (Å, º) top

Co1—O1ⁱ	2.1031 (15)	C1—C2	1.380 (3)
Co1—O1	2.1031 (15)	C1—C6	1.389 (3)
Co1—N6ⁱⁱ	2.1418 (16)	C1—C7	1.509 (3)
Co1—N6ⁱⁱⁱ	2.1418 (16)	C2—C3	1.385 (3)
Co1—N3	2.1530 (16)	C2—H2A	0.9500
Co1—N3ⁱ	2.1530 (16)	C3—C4	1.377 (3)
O1—N7	1.245 (2)	C3—H3A	0.9500
O2—N7	1.240 (2)	C4—C5	1.391 (3)
N1—C10	1.325 (3)	C4—C8	1.509 (3)
N1—N2	1.353 (2)	C5—C6	1.387 (3)
N1—C7	1.475 (2)	C5—H5A	0.9500
N2—C9	1.319 (3)	C6—H6A	0.9500
N3—C10	1.328 (2)	C7—H7A	0.9900
N3—C9	1.348 (3)	C7—H7B	0.9900
N4—C12	1.324 (3)	C8—H8A	0.9900
N4—N5	1.360 (2)	C8—H8B	0.9900
N4—C8	1.465 (3)	C9—H9A	0.9500
N5—C11	1.319 (3)	C10—H10A	0.9500
N6—C12	1.331 (2)	C11—H11A	0.9500
N6—C11	1.353 (3)	C12—H12A	0.9500
N6—Co1^iv	2.1418 (16)

O1ⁱ—Co1—O1	180.0	C4—C3—C2	120.9 (2)
O1ⁱ—Co1—N6ⁱⁱ	94.01 (6)	C4—C3—H3A	119.6
O1—Co1—N6ⁱⁱ	85.99 (6)	C2—C3—H3A	119.6
O1ⁱ—Co1—N6ⁱⁱⁱ	85.99 (6)	C3—C4—C5	118.83 (19)
O1—Co1—N6ⁱⁱⁱ	94.01 (6)	C3—C4—C8	120.3 (2)
N6ⁱⁱ—Co1—N6ⁱⁱⁱ	180.00 (8)	C5—C4—C8	120.85 (19)
O1ⁱ—Co1—N3	86.30 (6)	C6—C5—C4	120.4 (2)
O1—Co1—N3	93.70 (6)	C6—C5—H5A	119.8
N6ⁱⁱ—Co1—N3	90.52 (6)	C4—C5—H5A	119.8
N6ⁱⁱⁱ—Co1—N3	89.48 (6)	C5—C6—C1	120.3 (2)
O1ⁱ—Co1—N3ⁱ	93.70 (6)	C5—C6—H6A	119.8
O1—Co1—N3ⁱ	86.30 (6)	C1—C6—H6A	119.8
N6ⁱⁱ—Co1—N3ⁱ	89.48 (6)	N1—C7—C1	111.64 (17)
N6ⁱⁱⁱ—Co1—N3ⁱ	90.52 (6)	N1—C7—H7A	109.3
N3—Co1—N3ⁱ	180.00 (8)	C1—C7—H7A	109.3
N7—O1—Co1	126.67 (14)	N1—C7—H7B	109.3
C10—N1—N2	109.92 (16)	C1—C7—H7B	109.3
C10—N1—C7	128.82 (18)	H7A—C7—H7B	108.0
N2—N1—C7	121.23 (17)	N4—C8—C4	112.87 (17)
C9—N2—N1	102.28 (17)	N4—C8—H8A	109.0
C10—N3—C9	102.35 (17)	C4—C8—H8A	109.0
C10—N3—Co1	130.55 (14)	N4—C8—H8B	109.0
C9—N3—Co1	126.63 (14)	C4—C8—H8B	109.0
C12—N4—N5	110.21 (16)	H8A—C8—H8B	107.8
C12—N4—C8	127.34 (18)	N2—C9—N3	115.02 (19)
N5—N4—C8	122.01 (17)	N2—C9—H9A	122.5
C11—N5—N4	102.19 (17)	N3—C9—H9A	122.5
C12—N6—C11	102.66 (16)	N3—C10—N1	110.43 (18)
C12—N6—Co1^iv	124.14 (13)	N3—C10—H10A	124.8
C11—N6—Co1^iv	132.60 (13)	N1—C10—H10A	124.8
O2—N7—O1	115.52 (19)	N5—C11—N6	114.82 (18)
C2—C1—C6	119.04 (19)	N5—C11—H11A	122.6
C2—C1—C7	119.60 (19)	N6—C11—H11A	122.6
C6—C1—C7	121.36 (19)	N4—C12—N6	110.11 (17)
C1—C2—C3	120.5 (2)	N4—C12—H12A	124.9
C1—C2—H2A	119.7	N6—C12—H12A	124.9
C3—C2—H2A	119.7

N6ⁱⁱ—Co1—O1—N7	126.75 (19)	C2—C1—C6—C5	−0.6 (3)
N6ⁱⁱⁱ—Co1—O1—N7	−53.25 (19)	C7—C1—C6—C5	178.6 (2)
N3—Co1—O1—N7	36.48 (19)	C10—N1—C7—C1	−63.3 (3)
N3ⁱ—Co1—O1—N7	−143.52 (19)	N2—N1—C7—C1	119.1 (2)
C10—N1—N2—C9	−0.5 (2)	C2—C1—C7—N1	88.2 (2)
C7—N1—N2—C9	177.54 (19)	C6—C1—C7—N1	−91.0 (2)
O1ⁱ—Co1—N3—C10	−165.51 (19)	C12—N4—C8—C4	115.1 (2)
O1—Co1—N3—C10	14.49 (19)	N5—N4—C8—C4	−73.2 (3)
N6ⁱⁱ—Co1—N3—C10	−71.53 (19)	C3—C4—C8—N4	104.3 (2)
N6ⁱⁱⁱ—Co1—N3—C10	108.47 (19)	C5—C4—C8—N4	−77.4 (3)
O1ⁱ—Co1—N3—C9	5.24 (18)	N1—N2—C9—N3	0.5 (3)
O1—Co1—N3—C9	−174.76 (18)	C10—N3—C9—N2	−0.3 (3)
N6ⁱⁱ—Co1—N3—C9	99.22 (18)	Co1—N3—C9—N2	−173.14 (16)
N6ⁱⁱⁱ—Co1—N3—C9	−80.78 (18)	C9—N3—C10—N1	0.0 (2)
C12—N4—N5—C11	−0.5 (2)	Co1—N3—C10—N1	172.41 (13)
C8—N4—N5—C11	−173.46 (18)	N2—N1—C10—N3	0.3 (3)
Co1—O1—N7—O2	175.00 (14)	C7—N1—C10—N3	−177.51 (18)
C6—C1—C2—C3	0.3 (3)	N4—N5—C11—N6	0.4 (2)
C7—C1—C2—C3	−178.94 (19)	C12—N6—C11—N5	−0.1 (2)
C1—C2—C3—C4	0.6 (3)	Co1^iv—N6—C11—N5	170.93 (14)
C2—C3—C4—C5	−1.2 (3)	N5—N4—C12—N6	0.5 (2)
C2—C3—C4—C8	177.2 (2)	C8—N4—C12—N6	172.95 (18)
C3—C4—C5—C6	0.9 (3)	C11—N6—C12—N4	−0.2 (2)
C8—C4—C5—C6	−177.4 (2)	Co1^iv—N6—C12—N4	−172.27 (12)
C4—C5—C6—C1	0.0 (3)

Symmetry codes: (i) −x, −y+1, −z+1; (ii) −x+1, y−1/2, −z+1/2; (iii) x−1, −y+3/2, z+1/2; (iv) −x+1, y+1/2, −z+1/2.

Experimental details

Crystal data
Chemical formula	[Co(NO₂)₂(C₁₂H₁₂N₆)₂]
M_r	631.50
Crystal system, space group	Monoclinic, P2₁/c
Temperature (K)	193
a, b, c (Å)	8.3037 (13), 20.376 (3), 8.4261 (11)
β (°)	104.390 (4)
V (Å³)	1380.9 (3)
Z	2
Radiation type	Mo Kα
µ (mm⁻¹)	0.68
Crystal size (mm)	0.33 × 0.26 × 0.10

Data collection
Diffractometer	Rigaku Mercury CCD diffractometer
Absorption correction	Multi-scan (REQAB; Jacobson, 1998)
T_min, T_max	0.806, 0.935
No. of measured, independent and observed [I > 2σ(I)] reflections	15379, 3152, 2768
R_int	0.032
(sin θ/λ)_max (Å⁻¹)	0.649

Refinement
R[F² > 2σ(F²)], wR(F²), S	0.041, 0.098, 1.07
No. of reflections	3152
No. of parameters	197
H-atom treatment	H-atom parameters constrained
Δρ_max, Δρ_min (e Å⁻³)	0.28, −0.29

Computer programs: CrystalClear (Rigaku, 2000), SHELXS97 (Sheldrick, 2008), SHELXL97 (Sheldrick, 2008), SHELXTL (Sheldrick, 2008).

Selected geometric parameters (Å, º) top

Co1—O1	2.1031 (15)	Co1—N3	2.1530 (16)
Co1—N6ⁱ	2.1418 (16)

O1ⁱⁱ—Co1—O1	180.0	O1—Co1—N3	93.70 (6)
O1—Co1—N6ⁱ	85.99 (6)	N6ⁱ—Co1—N3	90.52 (6)
N6ⁱ—Co1—N6ⁱⁱⁱ	180.00 (8)	N3—Co1—N3ⁱⁱ	180.00 (8)

Symmetry codes: (i) −x+1, y−1/2, −z+1/2; (ii) −x, −y+1, −z+1; (iii) x−1, −y+3/2, z+1/2.

Acknowledgements

This work was supported by the funds of the Civil Aviation University of China (grant No. 08CAUC-S03).

References

Jacobson, R. (1998). REQAB. Private communication to Rigaku Corporation, Tokyo, Japan. Google Scholar
Li, B. L., Peng, Y. F., Li, B. Z. & Zhang, Y. (2005). Chem. Commun. pp. 2333–2335. Web of Science CSD CrossRef Google Scholar
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Rigaku (2000). CrystalClear. Rigaku Corporation, Tokyo, Japan. Google Scholar
Sheldrick, G. M. (2008). Acta Cryst. A64, 112–122. Web of Science CrossRef CAS IUCr Journals Google Scholar
Wang, L.-Y., Peng, Y.-F., Zhang, Y.-P., Li, B.-L. & Zhang, Y. (2007). Acta Cryst. C63, m297–m299. Web of Science CSD CrossRef IUCr Journals Google Scholar

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