Poly[dinitrato[μ(3)-2,4,6-tris-(4-pyrid-yl)-1,3,5-triazine]cobalt(II)].

The solvothermal reaction of Co(NO(3))(2) and 2,4,6-tris(4-pyridyl)-1,3,5-triazine in dimethyl-formamide/ethanol mixed solvent afforded the title coordination polymer, [Co(NO(3))(2)(C(18)H(12)N(6))](n), in which the Co(II) atom is seven-coordinated by pyridyl groups of three different ligands and two chelating nitrate anions. The complex displays a nano-sized porous metal-organic framework that belongs to a (10,3) topological network.

Related literature

For metal–organic frameworks, see: Yaghi et al. (2003 ▶). For 2,4,6-tris(4-pyridyl)-1,3,5-triazine (tpt) coordination polymers, see: Fujita et al. (2005 ▶); Li et al. (2008 ▶). For a related nickel–tpt–nitrato coordination polymer, see: Abrahams et al. (1999 ▶).

Experimental

Crystal data

[Co(NO3)2(C18H12N6)]

M = 495.29

Orthorhombic,

a = 26.193 (3) Å

b = 9.8005 (11) Å

c = 16.2950 (18) Å

V = 4183.0 (8) Å3

Z = 8

Mo Kα radiation

μ = 0.88 mm−1

T = 298 K

0.20 × 0.20 × 0.10 mm

Data collection

Bruker SMART CCD area-detector diffractometer

Absorption correction: multi-scan (SADABS; Sheldrick, 2007 ▶) T min = 0.844, T max = 0.918

20432 measured reflections

3710 independent reflections

2756 reflections with I > 2σ(I)

R int = 0.049

Refinement

R[F 2 > 2σ(F 2)] = 0.040

wR(F 2) = 0.108

S = 1.03

3710 reflections

298 parameters

H-atom parameters constrained

Δρmax = 0.45 e Å−3

Δρmin = −0.33 e Å−3

Data collection: SMART (Bruker, 2000 ▶); cell refinement: SAINT (Bruker, 2000 ▶); data reduction: SAINT; 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.

Crystal structure: contains datablocks I, global. DOI: 10.1107/S1600536811017661/tk2740sup1.cif

Structure factors: contains datablocks I. DOI: 10.1107/S1600536811017661/tk2740Isup2.hkl

Additional supplementary materials: crystallographic information; 3D view; checkCIF report

[Co(NO3)2(C18H12N6)]	F(000) = 2008
Mr = 495.29	Dx = 1.573 Mg m−3
Orthorhombic, Pbcn	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2n 2ab	Cell parameters from 4158 reflections
a = 26.193 (3) Å	θ = 2.5–24.6°
b = 9.8005 (11) Å	µ = 0.88 mm−1
c = 16.2950 (18) Å	T = 298 K
V = 4183.0 (8) Å3	Block, pink
Z = 8	0.20 × 0.20 × 0.10 mm

Bruker SMART CCD area-detector diffractometer	3710 independent reflections
Radiation source: fine-focus sealed tube	2756 reflections with I > 2σ(I)
graphite	Rint = 0.049
φ and ω scans	θmax = 25.1°, θmin = 2.2°
Absorption correction: multi-scan (SADABS; Sheldrick, 2007)	h = −31→26
Tmin = 0.844, Tmax = 0.918	k = −11→10
20432 measured reflections	l = −19→19

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)] = 0.040	Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.108	H-atom parameters constrained
S = 1.03	w = 1/[σ2(Fo2) + (0.0467P)2 + 3.8374P] where P = (Fo2 + 2Fc2)/3
3710 reflections	(Δ/σ)max = 0.001
298 parameters	Δρmax = 0.45 e Å−3
0 restraints	Δρmin = −0.33 e Å−3

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	0.380905 (14)	−0.17895 (4)	0.06119 (2)	0.03151 (15)
C1	0.41284 (12)	0.0886 (4)	0.1400 (2)	0.0534 (10)
H1	0.4429	0.0692	0.1121	0.064*
C2	0.41134 (12)	0.2035 (4)	0.1879 (2)	0.0543 (10)
H2	0.4402	0.2581	0.1932	0.065*
C3	0.36691 (11)	0.2379 (3)	0.22819 (18)	0.0329 (7)
C4	0.32551 (12)	0.1533 (4)	0.2173 (2)	0.0453 (9)
H4	0.2944	0.1735	0.2421	0.054*
C5	0.33059 (12)	0.0391 (4)	0.1696 (2)	0.0493 (9)
H5	0.3023	−0.0172	0.1634	0.059*
C6	0.36517 (10)	0.3595 (3)	0.28256 (18)	0.0306 (7)
C7	0.40612 (10)	0.5367 (3)	0.34072 (18)	0.0315 (7)
C8	0.45454 (11)	0.6099 (3)	0.35741 (19)	0.0358 (7)
C9	0.49982 (12)	0.5414 (4)	0.3548 (3)	0.0610 (11)
H9	0.5005	0.4493	0.3409	0.073*
C10	0.54451 (12)	0.6091 (4)	0.3727 (3)	0.0626 (12)
H10	0.5748	0.5598	0.3712	0.075*
C11	0.50274 (14)	0.8051 (4)	0.3941 (3)	0.0669 (12)
H11	0.5031	0.8974	0.4072	0.080*
C12	0.45627 (12)	0.7447 (4)	0.3782 (3)	0.0645 (12)
H12	0.4263	0.7954	0.3816	0.077*
C13	0.32363 (10)	0.4965 (3)	0.36998 (18)	0.0316 (7)
C14	0.27651 (11)	0.5375 (3)	0.41360 (19)	0.0327 (7)
C15	0.27784 (12)	0.6350 (4)	0.4739 (2)	0.0511 (10)
H15	0.3086	0.6758	0.4881	0.061*
C16	0.23372 (12)	0.6722 (4)	0.5132 (2)	0.0536 (10)
H16	0.2356	0.7391	0.5535	0.064*
C17	0.18746 (12)	0.5219 (4)	0.4389 (2)	0.0499 (9)
H17	0.1563	0.4813	0.4265	0.060*
C18	0.22980 (11)	0.4795 (4)	0.3962 (2)	0.0480 (9)
H18	0.2270	0.4125	0.3561	0.058*
N1	0.43623 (10)	−0.1599 (3)	−0.07207 (18)	0.0479 (8)
N2	0.32636 (13)	−0.3756 (5)	0.1387 (3)	0.0779 (12)
N3	0.37372 (9)	0.0033 (3)	0.13120 (16)	0.0383 (6)
N4	0.54694 (9)	0.7393 (3)	0.39189 (17)	0.0392 (6)
N5	0.18823 (9)	0.6176 (3)	0.49676 (16)	0.0360 (6)
N6	0.36465 (9)	0.5756 (3)	0.38169 (16)	0.0375 (6)
N7	0.40796 (9)	0.4331 (3)	0.28751 (15)	0.0329 (6)
N8	0.32213 (9)	0.3851 (3)	0.32351 (15)	0.0322 (6)
O1	0.42965 (8)	−0.0587 (2)	−0.02471 (14)	0.0457 (6)
O2	0.41055 (9)	−0.2649 (3)	−0.05510 (15)	0.0544 (6)
O3	0.46583 (11)	−0.1558 (3)	−0.12993 (18)	0.0806 (10)
O4	0.33747 (13)	−0.2722 (4)	0.1748 (3)	0.0995 (12)
O5	0.34510 (11)	−0.3810 (4)	0.0677 (3)	0.0866 (10)
O6	0.29912 (12)	−0.4647 (4)	0.1665 (2)	0.1130 (14)

	U11	U22	U33	U12	U13	U23
Co1	0.0236 (2)	0.0317 (2)	0.0393 (3)	0.00198 (17)	−0.00248 (17)	−0.00143 (19)
C1	0.0303 (18)	0.055 (2)	0.075 (3)	−0.0103 (16)	0.0153 (17)	−0.027 (2)
C2	0.0327 (18)	0.053 (2)	0.077 (3)	−0.0157 (16)	0.0185 (17)	−0.032 (2)
C3	0.0247 (15)	0.0353 (17)	0.0385 (17)	−0.0025 (13)	0.0011 (13)	−0.0060 (14)
C4	0.0280 (17)	0.049 (2)	0.059 (2)	−0.0034 (15)	0.0099 (15)	−0.0156 (17)
C5	0.0275 (17)	0.051 (2)	0.070 (2)	−0.0092 (15)	0.0074 (16)	−0.0219 (19)
C6	0.0236 (15)	0.0348 (17)	0.0335 (16)	0.0012 (13)	−0.0003 (12)	−0.0003 (13)
C7	0.0242 (15)	0.0329 (17)	0.0375 (17)	−0.0003 (13)	0.0002 (13)	−0.0039 (14)
C8	0.0261 (16)	0.0394 (19)	0.0418 (18)	−0.0040 (13)	0.0052 (13)	−0.0082 (15)
C9	0.0279 (18)	0.047 (2)	0.108 (3)	0.0008 (16)	−0.003 (2)	−0.032 (2)
C10	0.0259 (18)	0.054 (2)	0.108 (3)	0.0025 (16)	−0.0035 (19)	−0.037 (2)
C11	0.037 (2)	0.035 (2)	0.128 (4)	−0.0017 (16)	−0.020 (2)	−0.013 (2)
C12	0.0267 (18)	0.045 (2)	0.122 (4)	0.0059 (16)	−0.014 (2)	−0.020 (2)
C13	0.0213 (14)	0.0378 (18)	0.0357 (16)	0.0022 (13)	0.0011 (12)	−0.0008 (14)
C14	0.0262 (16)	0.0313 (17)	0.0405 (17)	0.0001 (13)	0.0032 (13)	0.0001 (14)
C15	0.0251 (17)	0.054 (2)	0.074 (3)	−0.0056 (15)	0.0085 (17)	−0.024 (2)
C16	0.0354 (19)	0.055 (2)	0.070 (3)	−0.0054 (17)	0.0116 (17)	−0.028 (2)
C17	0.0266 (17)	0.058 (2)	0.065 (2)	−0.0078 (16)	0.0038 (16)	−0.020 (2)
C18	0.0298 (17)	0.056 (2)	0.058 (2)	−0.0054 (16)	0.0062 (15)	−0.0229 (19)
N1	0.0316 (15)	0.067 (2)	0.0448 (17)	−0.0062 (14)	0.0026 (13)	−0.0058 (16)
N2	0.038 (2)	0.074 (3)	0.121 (4)	0.004 (2)	−0.014 (2)	0.045 (3)
N3	0.0272 (13)	0.0413 (16)	0.0464 (16)	−0.0018 (11)	0.0000 (12)	−0.0108 (13)
N4	0.0268 (14)	0.0416 (17)	0.0493 (16)	−0.0040 (12)	−0.0020 (12)	−0.0044 (13)
N5	0.0254 (13)	0.0362 (15)	0.0464 (16)	−0.0004 (11)	0.0068 (11)	−0.0010 (13)
N6	0.0239 (13)	0.0404 (16)	0.0482 (16)	−0.0015 (11)	0.0043 (12)	−0.0095 (13)
N7	0.0247 (13)	0.0352 (15)	0.0390 (14)	−0.0035 (11)	0.0019 (11)	−0.0045 (12)
N8	0.0251 (13)	0.0356 (15)	0.0358 (14)	−0.0025 (11)	0.0037 (11)	−0.0046 (12)
O1	0.0426 (13)	0.0465 (15)	0.0481 (14)	0.0017 (11)	0.0020 (11)	−0.0023 (12)
O2	0.0508 (15)	0.0579 (16)	0.0546 (15)	−0.0161 (13)	0.0068 (12)	−0.0125 (13)
O3	0.0626 (18)	0.113 (3)	0.0658 (18)	−0.0285 (17)	0.0321 (15)	−0.0233 (18)
O4	0.076 (2)	0.065 (2)	0.157 (4)	0.0020 (19)	−0.011 (2)	0.005 (2)
O5	0.0478 (18)	0.097 (3)	0.115 (3)	−0.0097 (17)	−0.0112 (18)	0.039 (2)
O6	0.072 (2)	0.114 (3)	0.153 (3)	−0.039 (2)	−0.014 (2)	0.087 (3)

Co1—O1	2.231 (2)	C10—N4	1.315 (4)
Co1—O2	2.214 (2)	C10—H10	0.9300
Co1—O4	2.357 (4)	C11—N4	1.326 (4)
Co1—O5	2.194 (3)	C11—C12	1.378 (5)
Co1—N3	2.128 (3)	C11—H11	0.9300
Co1—N4i	2.191 (2)	C12—H12	0.9300
Co1—N5ii	2.178 (2)	C13—N8	1.329 (4)
C1—N3	1.330 (4)	C13—N6	1.339 (4)
C1—C2	1.370 (5)	C13—C14	1.480 (4)
C1—H1	0.9300	C14—C15	1.371 (4)
C2—C3	1.378 (4)	C14—C18	1.378 (4)
C2—H2	0.9300	C15—C16	1.371 (4)
C3—C4	1.377 (4)	C15—H15	0.9300
C3—C6	1.485 (4)	C16—N5	1.333 (4)
C4—C5	1.370 (5)	C16—H16	0.9300
C4—H4	0.9300	C17—N5	1.330 (4)
C5—N3	1.338 (4)	C17—C18	1.373 (4)
C5—H5	0.9300	C17—H17	0.9300
C6—N8	1.334 (4)	C18—H18	0.9300
C6—N7	1.335 (4)	N1—O3	1.221 (4)
C7—N6	1.331 (4)	N1—O2	1.260 (4)
C7—N7	1.336 (4)	N1—O1	1.268 (4)
C7—C8	1.482 (4)	N2—O4	1.207 (5)
C8—C9	1.364 (4)	N2—O6	1.215 (5)
C8—C12	1.365 (5)	N2—O5	1.258 (5)
C9—C10	1.377 (5)	N4—Co1iii	2.191 (2)
C9—H9	0.9300	N5—Co1iv	2.178 (2)
N3—Co1—N5ii	87.31 (10)	N4—C10—H10	118.0
N3—Co1—N4i	101.33 (10)	C9—C10—H10	118.0
N5ii—Co1—N4i	170.62 (10)	N4—C11—C12	123.9 (3)
N3—Co1—O5	133.94 (13)	N4—C11—H11	118.1
N5ii—Co1—O5	85.25 (10)	C12—C11—H11	118.1
N4i—Co1—O5	91.23 (10)	C8—C12—C11	119.4 (3)
N3—Co1—O2	144.01 (10)	C8—C12—H12	120.3
N5ii—Co1—O2	89.09 (10)	C11—C12—H12	120.3
N4i—Co1—O2	81.77 (10)	N8—C13—N6	125.5 (3)
O5—Co1—O2	81.26 (13)	N8—C13—C14	118.2 (2)
N3—Co1—O1	86.76 (9)	N6—C13—C14	116.3 (3)
N5ii—Co1—O1	91.58 (9)	C15—C14—C18	117.2 (3)
N4i—Co1—O1	85.33 (9)	C15—C14—C13	120.8 (3)
O5—Co1—O1	138.75 (13)	C18—C14—C13	122.0 (3)
O2—Co1—O1	57.55 (9)	C14—C15—C16	119.9 (3)
N3—Co1—O4	82.06 (12)	C14—C15—H15	120.0
N5ii—Co1—O4	94.84 (11)	C16—C15—H15	120.0
N4i—Co1—O4	90.02 (11)	N5—C16—C15	123.6 (3)
O5—Co1—O4	53.52 (14)	N5—C16—H16	118.2
O2—Co1—O4	133.93 (12)	C15—C16—H16	118.2
O1—Co1—O4	166.82 (12)	N5—C17—C18	124.0 (3)
N3—C1—C2	123.8 (3)	N5—C17—H17	118.0
N3—C1—H1	118.1	C18—C17—H17	118.0
C2—C1—H1	118.1	C17—C18—C14	119.2 (3)
C1—C2—C3	119.8 (3)	C17—C18—H18	120.4
C1—C2—H2	120.1	C14—C18—H18	120.4
C3—C2—H2	120.1	O3—N1—O2	122.3 (3)
C4—C3—C2	117.1 (3)	O3—N1—O1	122.0 (3)
C4—C3—C6	122.4 (3)	O2—N1—O1	115.6 (3)
C2—C3—C6	120.4 (3)	O4—N2—O6	124.3 (6)
C5—C4—C3	119.3 (3)	O4—N2—O5	112.9 (4)
C5—C4—H4	120.4	O6—N2—O5	122.8 (5)
C3—C4—H4	120.4	C1—N3—C5	115.8 (3)
N3—C5—C4	124.1 (3)	C1—N3—Co1	121.2 (2)
N3—C5—H5	117.9	C5—N3—Co1	123.0 (2)
C4—C5—H5	117.9	C10—N4—C11	115.9 (3)
N8—C6—N7	125.3 (3)	C10—N4—Co1iii	118.7 (2)
N8—C6—C3	118.4 (3)	C11—N4—Co1iii	124.5 (2)
N7—C6—C3	116.3 (2)	C17—N5—C16	116.0 (3)
N6—C7—N7	124.9 (3)	C17—N5—Co1iv	121.6 (2)
N6—C7—C8	117.9 (3)	C16—N5—Co1iv	122.4 (2)
N7—C7—C8	117.1 (2)	C7—N6—C13	114.7 (3)
C9—C8—C12	117.1 (3)	C6—N7—C7	114.8 (2)
C9—C8—C7	120.0 (3)	C13—N8—C6	114.5 (2)
C12—C8—C7	122.8 (3)	N1—O1—Co1	92.67 (18)
C8—C9—C10	119.7 (3)	N1—O2—Co1	93.69 (19)
C8—C9—H9	120.2	N2—O4—Co1	93.4 (3)
C10—C9—H9	120.2	N2—O5—Co1	100.0 (3)
N4—C10—C9	124.0 (3)

Table 1

Selected bond lengths (Å)

Co1—O1	2.231 (2)
Co1—O2	2.214 (2)
Co1—O4	2.357 (4)
Co1—O5	2.194 (3)
Co1—N3	2.128 (3)
Co1—N4i	2.191 (2)
Co1—N5ii	2.178 (2)

Symmetry codes: (i) ; (ii) .