Poly[tris-(μ-4,4'-bi-pyridine-κ(2) N:N')bis(dimethyl sulfoxide-κO)tetra-kis-(thiocyanato-κN)dicobalt(II)].

The asymmetric unit of the title compound, [Co2(NCS)4(C10H8N2)3(C2H6OS)2] n , consists of one Co(II) atom, two thio-cyanate anions, one dimethyl sulfoxide mol-ecule and one and a half 4,4'-bi-pyridine mol-ecules. The half-molecule is completed by inversion symmetry. The Co(II) atom is coordin-ated in a distorted octa-hedral geometry by two N atoms from two thio-cyanate anions, one O atom from dimethyl sulfoxide as a terminal ligand and three N atoms from three 4,4'-bi-pyridine mol-ecules as bridging ligands linking the cations, with a Co⋯Co separation of 11.5964 (5) Å. This generates a two-dimensional structure parallel to (-103). A C-H⋯S hydrogen bond links the layers into a three-dimensional supra-molecular framework. The layers are stacked in an ABC fashion preventing the occurrence of inter-layer void space and hence leading to the absence of lattice solvent and/or organic guest mol-ecules in the structure.

Related literature

For related coordination polymers with ligands such as pyrazine, pyrimidine, 4,4′-bi­pyridine and SCN−, see: Wriedt & Näther (2009 ▶, 2010 ▶); Wriedt et al. (2009 ▶); Yao & Wang (2009 ▶).

Experimental

Crystal data

[Co2(NCS)4(C10H8N2)3(C2H6OS)2]

M = 974.98

Monoclinic,

a = 11.0772 (3) Å

b = 16.9999 (2) Å

c = 11.6843 (3) Å

β = 103.628 (1)°

V = 2138.34 (8) Å3

Z = 2

Mo Kα radiation

μ = 1.12 mm−1

T = 273 K

0.40 × 0.16 × 0.10 mm

Data collection

Bruker SMART APEX CCD diffractometer

Absorption correction: multi-scan (SADABS; Bruker, 2000 ▶) T min = 0.591, T max = 0.894

14262 measured reflections

5584 independent reflections

3936 reflections with I > 2σ(I)

R int = 0.032

Refinement

R[F 2 > 2σ(F 2)] = 0.043

wR(F 2) = 0.109

S = 1.01

5584 reflections

264 parameters

H-atom parameters constrained

Δρmax = 1.02 e Å−3

Δρmin = −0.58 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: Mercury (Macrae et al., 2008 ▶); software used to prepare material for publication: publCIF (Westrip, 2010 ▶).

Crystal structure: contains datablock(s) I. DOI: 10.1107/S1600536814013555/is5365sup1.cif

Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536814013555/is5365Isup2.hkl

CCDC reference: 1007744

Additional supporting information: crystallographic information; 3D view; checkCIF report

[Co2(NCS)4(C10H8N2)3(C2H6OS)2]	Z = 2
Mr = 974.98	F(000) = 1000
Monoclinic, P21/n	Dx = 1.514 Mg m−3
Hall symbol: -P 2yn	Mo Kα radiation, λ = 0.71073 Å
a = 11.0772 (3) Å	µ = 1.12 mm−1
b = 16.9999 (2) Å	T = 273 K
c = 11.6843 (3) Å	Block, pink
β = 103.628 (1)°	0.40 × 0.16 × 0.10 mm
V = 2138.34 (8) Å3

Bruker SMART APEX CCD diffractometer	5584 independent reflections
Radiation source: fine-focus sealed tube	3936 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.032
phi and ω scans	θmax = 29.8°, θmin = 2.2°
Absorption correction: multi-scan (SADABS; Bruker, 2000)	h = −14→14
Tmin = 0.591, Tmax = 0.894	k = −16→22
14262 measured reflections	l = −12→15

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)] = 0.043	Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.109	H-atom parameters constrained
S = 1.01	w = 1/[σ2(Fo2) + (0.0522P)2 + 1.1491P] where P = (Fo2 + 2Fc2)/3
5584 reflections	(Δ/σ)max < 0.001
264 parameters	Δρmax = 1.02 e Å−3
0 restraints	Δρmin = −0.58 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	0.61610 (3)	0.238576 (18)	0.34507 (3)	0.02619 (10)
S3	0.74846 (7)	0.21001 (5)	0.14197 (7)	0.04276 (18)
S2	0.57089 (8)	0.31500 (5)	0.72918 (8)	0.0535 (2)
S1	0.93773 (9)	0.42788 (7)	0.32672 (16)	0.1102 (6)
N3	0.47394 (17)	0.14430 (11)	0.30393 (18)	0.0268 (4)
N2	0.47009 (19)	0.33263 (12)	0.30583 (19)	0.0309 (5)
N1	0.76429 (18)	0.14581 (12)	0.39797 (18)	0.0303 (4)
O1	0.62030 (17)	0.22923 (12)	0.16482 (17)	0.0396 (4)
N7	0.6038 (2)	0.25004 (14)	0.5192 (2)	0.0394 (5)
C15	0.4133 (2)	0.12562 (14)	0.1932 (2)	0.0297 (5)
H15	0.4315	0.1541	0.1314	0.036*
N6	0.7569 (2)	0.32360 (14)	0.3613 (2)	0.0435 (6)
C8	0.2944 (2)	0.45622 (14)	0.2665 (2)	0.0299 (5)
C3	0.9512 (2)	0.03082 (14)	0.4782 (2)	0.0279 (5)
C16	0.5904 (2)	0.27781 (15)	0.6063 (2)	0.0324 (6)
C5	0.8725 (2)	0.16319 (15)	0.4734 (2)	0.0366 (6)
H5	0.8856	0.2149	0.4992	0.044*
C9	0.2624 (2)	0.38055 (16)	0.2287 (3)	0.0404 (7)
H9	0.1813	0.3692	0.1888	0.048*
C2	0.8399 (2)	0.01292 (15)	0.3977 (3)	0.0398 (7)
H2	0.8257	−0.0379	0.3681	0.048*
C11	0.4472 (2)	0.10091 (15)	0.3912 (2)	0.0321 (5)
H11	0.4874	0.1128	0.4685	0.039*
C10	0.3514 (2)	0.32131 (15)	0.2502 (3)	0.0395 (6)
H10	0.3268	0.2708	0.2242	0.047*
C4	0.9657 (2)	0.10903 (15)	0.5153 (2)	0.0376 (6)
H4	1.0382	0.1248	0.5682	0.045*
C1	0.7503 (2)	0.07089 (15)	0.3616 (3)	0.0373 (6)
H1	0.6765	0.0568	0.3092	0.045*
C6	0.5003 (3)	0.40610 (16)	0.3448 (3)	0.0447 (7)
H6	0.5817	0.4157	0.3855	0.054*
C17	0.8323 (3)	0.36663 (17)	0.3468 (3)	0.0437 (7)
C14	0.3251 (2)	0.06625 (15)	0.1664 (2)	0.0319 (5)
H14	0.2842	0.0567	0.0886	0.038*
C7	0.4169 (3)	0.46839 (16)	0.3280 (3)	0.0469 (8)
H7	0.4427	0.5180	0.3576	0.056*
C19	0.7763 (4)	0.2828 (3)	0.0436 (4)	0.0746 (12)
H19A	0.7051	0.2873	−0.0214	0.112*
H19B	0.8476	0.2684	0.0148	0.112*
H19C	0.7914	0.3324	0.0838	0.112*
C18	0.7228 (5)	0.1284 (3)	0.0458 (5)	0.0992 (17)
H18A	0.6943	0.0846	0.0842	0.149*
H18B	0.7989	0.1146	0.0250	0.149*
H18C	0.6611	0.1416	−0.0241	0.149*
C12	0.3626 (2)	0.03931 (15)	0.3716 (2)	0.0344 (6)
H12	0.3487	0.0102	0.4347	0.041*
C13	0.2983 (2)	0.02117 (14)	0.2567 (2)	0.0298 (5)

	U11	U22	U33	U12	U13	U23
Co1	0.02248 (16)	0.02112 (16)	0.03429 (18)	0.00099 (12)	0.00529 (12)	0.00138 (13)
S3	0.0366 (4)	0.0522 (4)	0.0425 (4)	0.0033 (3)	0.0155 (3)	0.0038 (3)
S2	0.0528 (5)	0.0601 (5)	0.0505 (5)	−0.0048 (4)	0.0179 (4)	−0.0164 (4)
S1	0.0445 (5)	0.0713 (7)	0.1993 (16)	−0.0200 (5)	−0.0023 (7)	0.0688 (9)
N3	0.0229 (9)	0.0205 (10)	0.0362 (11)	0.0000 (7)	0.0053 (8)	0.0014 (8)
N2	0.0276 (10)	0.0266 (11)	0.0374 (12)	0.0033 (8)	0.0055 (9)	−0.0002 (9)
N1	0.0289 (10)	0.0263 (10)	0.0344 (11)	0.0059 (8)	0.0049 (8)	0.0017 (9)
O1	0.0297 (9)	0.0504 (12)	0.0399 (10)	−0.0013 (8)	0.0105 (8)	0.0048 (9)
N7	0.0391 (12)	0.0393 (13)	0.0380 (12)	0.0040 (10)	0.0054 (10)	0.0015 (10)
C15	0.0293 (12)	0.0246 (12)	0.0353 (13)	−0.0024 (9)	0.0075 (10)	0.0040 (10)
N6	0.0340 (12)	0.0319 (12)	0.0631 (16)	−0.0024 (10)	0.0083 (11)	−0.0004 (11)
C8	0.0277 (12)	0.0257 (12)	0.0364 (13)	0.0050 (9)	0.0079 (10)	0.0004 (10)
C3	0.0249 (11)	0.0260 (12)	0.0325 (12)	0.0051 (9)	0.0061 (9)	0.0009 (10)
C16	0.0292 (12)	0.0264 (13)	0.0394 (14)	−0.0001 (9)	0.0035 (10)	0.0015 (10)
C5	0.0342 (13)	0.0252 (12)	0.0450 (15)	0.0050 (10)	−0.0017 (11)	−0.0053 (11)
C9	0.0274 (13)	0.0291 (13)	0.0589 (18)	0.0036 (10)	−0.0012 (12)	−0.0063 (12)
C2	0.0325 (13)	0.0233 (12)	0.0560 (17)	0.0040 (10)	−0.0048 (12)	−0.0074 (12)
C11	0.0326 (13)	0.0286 (13)	0.0339 (13)	−0.0028 (10)	0.0053 (10)	0.0004 (10)
C10	0.0334 (13)	0.0227 (12)	0.0579 (18)	0.0029 (10)	0.0018 (12)	−0.0071 (12)
C4	0.0316 (13)	0.0296 (14)	0.0452 (15)	0.0038 (10)	−0.0037 (11)	−0.0054 (11)
C1	0.0263 (12)	0.0303 (13)	0.0491 (16)	0.0044 (10)	−0.0032 (11)	−0.0042 (12)
C6	0.0273 (13)	0.0306 (14)	0.069 (2)	0.0041 (10)	−0.0027 (13)	−0.0075 (13)
C17	0.0301 (13)	0.0312 (14)	0.0650 (19)	0.0001 (11)	0.0015 (13)	0.0108 (13)
C14	0.0309 (12)	0.0299 (13)	0.0326 (13)	−0.0054 (10)	0.0029 (10)	0.0001 (10)
C7	0.0348 (14)	0.0253 (13)	0.073 (2)	0.0028 (11)	−0.0029 (14)	−0.0119 (13)
C19	0.063 (2)	0.088 (3)	0.086 (3)	0.014 (2)	0.044 (2)	0.039 (2)
C18	0.111 (4)	0.095 (4)	0.109 (4)	−0.019 (3)	0.059 (3)	−0.054 (3)
C12	0.0374 (14)	0.0312 (13)	0.0352 (14)	−0.0073 (11)	0.0097 (11)	0.0056 (11)
C13	0.0259 (12)	0.0223 (12)	0.0411 (14)	−0.0025 (9)	0.0076 (10)	0.0002 (10)

Co1—N7	2.080 (2)	C3—C3ii	1.506 (4)
Co1—N6	2.102 (2)	C5—C4	1.384 (3)
Co1—O1	2.1234 (19)	C5—H5	0.9300
Co1—N3	2.2187 (19)	C9—C10	1.390 (4)
Co1—N2	2.244 (2)	C9—H9	0.9300
Co1—N1	2.2551 (19)	C2—C1	1.392 (3)
S3—O1	1.5401 (19)	C2—H2	0.9300
S3—C19	1.765 (4)	C11—C12	1.388 (3)
S3—C18	1.766 (4)	C11—H11	0.9300
S2—C16	1.629 (3)	C10—H10	0.9300
S1—C17	1.623 (3)	C4—H4	0.9300
N3—C11	1.347 (3)	C1—H1	0.9300
N3—C15	1.348 (3)	C6—C7	1.388 (4)
N2—C10	1.336 (3)	C6—H6	0.9300
N2—C6	1.344 (3)	C14—C13	1.391 (4)
N1—C1	1.340 (3)	C14—H14	0.9300
N1—C5	1.343 (3)	C7—H7	0.9300
N7—C16	1.163 (4)	C19—H19A	0.9600
C15—C14	1.388 (3)	C19—H19B	0.9600
C15—H15	0.9300	C19—H19C	0.9600
N6—C17	1.152 (4)	C18—H18A	0.9600
C8—C9	1.379 (4)	C18—H18B	0.9600
C8—C7	1.393 (4)	C18—H18C	0.9600
C8—C13i	1.489 (3)	C12—C13	1.398 (4)
C3—C4	1.396 (3)	C12—H12	0.9300
C3—C2	1.396 (3)	C13—C8iii	1.489 (3)
N7—Co1—N6	93.76 (10)	C10—C9—H9	120.0
N7—Co1—O1	177.34 (8)	C1—C2—C3	120.2 (2)
N6—Co1—O1	87.22 (9)	C1—C2—H2	119.9
N7—Co1—N3	94.19 (9)	C3—C2—H2	119.9
N6—Co1—N3	171.85 (9)	N3—C11—C12	123.3 (2)
O1—Co1—N3	84.91 (7)	N3—C11—H11	118.4
N7—Co1—N2	85.58 (8)	C12—C11—H11	118.4
N6—Co1—N2	90.69 (8)	N2—C10—C9	123.9 (2)
O1—Co1—N2	91.94 (8)	N2—C10—H10	118.0
N3—Co1—N2	91.71 (7)	C9—C10—H10	118.0
N7—Co1—N1	90.49 (8)	C5—C4—C3	120.1 (2)
N6—Co1—N1	88.83 (8)	C5—C4—H4	119.9
O1—Co1—N1	92.00 (8)	C3—C4—H4	119.9
N3—Co1—N1	89.30 (7)	N1—C1—C2	123.8 (2)
N2—Co1—N1	176.00 (8)	N1—C1—H1	118.1
O1—S3—C19	105.89 (15)	C2—C1—H1	118.1
O1—S3—C18	105.07 (18)	N2—C6—C7	123.8 (2)
C19—S3—C18	99.4 (3)	N2—C6—H6	118.1
C11—N3—C15	116.7 (2)	C7—C6—H6	118.1
C11—N3—Co1	120.20 (16)	N6—C17—S1	179.5 (3)
C15—N3—Co1	123.09 (16)	C15—C14—C13	119.6 (2)
C10—N2—C6	115.9 (2)	C15—C14—H14	120.2
C10—N2—Co1	125.18 (17)	C13—C14—H14	120.2
C6—N2—Co1	118.89 (17)	C6—C7—C8	119.6 (2)
C1—N1—C5	115.8 (2)	C6—C7—H7	120.2
C1—N1—Co1	123.75 (16)	C8—C7—H7	120.2
C5—N1—Co1	120.37 (16)	S3—C19—H19A	109.5
S3—O1—Co1	115.11 (11)	S3—C19—H19B	109.5
C16—N7—Co1	161.0 (2)	H19A—C19—H19B	109.5
N3—C15—C14	123.6 (2)	S3—C19—H19C	109.5
N3—C15—H15	118.2	H19A—C19—H19C	109.5
C14—C15—H15	118.2	H19B—C19—H19C	109.5
C17—N6—Co1	166.3 (3)	S3—C18—H18A	109.5
C9—C8—C7	116.7 (2)	S3—C18—H18B	109.5
C9—C8—C13i	121.3 (2)	H18A—C18—H18B	109.5
C7—C8—C13i	122.0 (2)	S3—C18—H18C	109.5
C4—C3—C2	115.8 (2)	H18A—C18—H18C	109.5
C4—C3—C3ii	122.5 (3)	H18B—C18—H18C	109.5
C2—C3—C3ii	121.7 (3)	C11—C12—C13	119.8 (2)
N7—C16—S2	178.9 (3)	C11—C12—H12	120.1
N1—C5—C4	124.2 (2)	C13—C12—H12	120.1
N1—C5—H5	117.9	C14—C13—C12	117.1 (2)
C4—C5—H5	117.9	C14—C13—C8iii	122.2 (2)
C8—C9—C10	120.0 (2)	C12—C13—C8iii	120.8 (2)
C8—C9—H9	120.0
N7—Co1—N3—C11	−21.36 (19)	N3—Co1—N7—C16	−124.4 (7)
N6—Co1—N3—C11	145.8 (5)	N2—Co1—N7—C16	−33.0 (7)
O1—Co1—N3—C11	161.15 (19)	N1—Co1—N7—C16	146.2 (7)
N2—Co1—N3—C11	−107.05 (18)	C11—N3—C15—C14	1.3 (4)
N1—Co1—N3—C11	69.08 (18)	Co1—N3—C15—C14	179.32 (19)
N7—Co1—N3—C15	160.68 (19)	N7—Co1—N6—C17	180.0 (10)
N6—Co1—N3—C15	−32.1 (7)	O1—Co1—N6—C17	−2.5 (10)
O1—Co1—N3—C15	−16.81 (19)	N3—Co1—N6—C17	12.8 (14)
N2—Co1—N3—C15	74.99 (19)	N2—Co1—N6—C17	−94.4 (10)
N1—Co1—N3—C15	−108.88 (19)	N1—Co1—N6—C17	89.5 (10)
N7—Co1—N2—C10	−107.9 (2)	C1—N1—C5—C4	−1.1 (4)
N6—Co1—N2—C10	158.4 (2)	Co1—N1—C5—C4	176.5 (2)
O1—Co1—N2—C10	71.1 (2)	C7—C8—C9—C10	−1.5 (4)
N3—Co1—N2—C10	−13.8 (2)	C13i—C8—C9—C10	179.1 (3)
N1—Co1—N2—C10	−118.5 (11)	C4—C3—C2—C1	−1.7 (4)
N7—Co1—N2—C6	69.0 (2)	C3ii—C3—C2—C1	178.4 (3)
N6—Co1—N2—C6	−24.8 (2)	C15—N3—C11—C12	0.4 (4)
O1—Co1—N2—C6	−112.0 (2)	Co1—N3—C11—C12	−177.7 (2)
N3—Co1—N2—C6	163.0 (2)	C6—N2—C10—C9	2.0 (4)
N1—Co1—N2—C6	58.4 (12)	Co1—N2—C10—C9	178.9 (2)
N7—Co1—N1—C1	116.1 (2)	C8—C9—C10—N2	−0.6 (5)
N6—Co1—N1—C1	−150.2 (2)	N1—C5—C4—C3	0.7 (5)
O1—Co1—N1—C1	−63.0 (2)	C2—C3—C4—C5	0.7 (4)
N3—Co1—N1—C1	21.9 (2)	C3ii—C3—C4—C5	−179.4 (3)
N2—Co1—N1—C1	126.6 (11)	C5—N1—C1—C2	0.1 (4)
N7—Co1—N1—C5	−61.4 (2)	Co1—N1—C1—C2	−177.5 (2)
N6—Co1—N1—C5	32.4 (2)	C3—C2—C1—N1	1.4 (5)
O1—Co1—N1—C5	119.5 (2)	C10—N2—C6—C7	−1.4 (5)
N3—Co1—N1—C5	−155.6 (2)	Co1—N2—C6—C7	−178.5 (3)
N2—Co1—N1—C5	−50.8 (12)	N3—C15—C14—C13	−1.8 (4)
C19—S3—O1—Co1	−127.1 (2)	N2—C6—C7—C8	−0.6 (5)
C18—S3—O1—Co1	128.3 (2)	C9—C8—C7—C6	2.0 (5)
N7—Co1—O1—S3	167.2 (18)	C13i—C8—C7—C6	−178.6 (3)
N6—Co1—O1—S3	55.48 (13)	N3—C11—C12—C13	−1.6 (4)
N3—Co1—O1—S3	−122.38 (13)	C15—C14—C13—C12	0.5 (4)
N2—Co1—O1—S3	146.08 (13)	C15—C14—C13—C8iii	−179.4 (2)
N1—Co1—O1—S3	−33.25 (13)	C11—C12—C13—C14	1.1 (4)
N6—Co1—N7—C16	57.4 (7)	C11—C12—C13—C8iii	−179.0 (2)
O1—Co1—N7—C16	−54 (2)

D—H···A	D—H	H···A	D···A	D—H···A
C1—H1···S1iv	0.93	2.82	3.596 (3)	141

Table 1

Selected bond lengths (Å)

Co1—N7	2.080 (2)
Co1—N6	2.102 (2)
Co1—O1	2.1234 (19)
Co1—N3	2.2187 (19)
Co1—N2	2.244 (2)
Co1—N1	2.2551 (19)

Table 2

Hydrogen-bond geometry (Å, °)

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
C1—H1⋯S1i	0.93	2.82	3.596 (3)	141

Symmetry code: (i) .