Crystal structure of catena-poly[[aqua(2,2':6',2''-terpyridine-κ(3) N,N',N'')cobalt(II)]-μ-cyanido-κ(2) N:C-[dicyanidoplatinum(II)]-μ-cyanido-κ(2) C:N].

The title compound, [Co(C15H11N3)(H2O){Pt(CN)4}] n , is a one-dimensional coordination polymer formed under hydro-thermal reaction conditions. The Co(II) site has sixfold coordination with a distorted octa-hedral geometry, while the Pt(II) ion is coordinated by four cyanide groups in an almost regular square-planar geometry. The compound contains twofold rotation symmetry about its Co(II) ion, the water molecule and the terpyridine ligand, and the Pt(II) atom resides on an inversion center. trans-Bridging by the tetra-cyanidoplatinate(II) anions links the Co(II) cations, forming chains parallel to [-101]. Additionally, each Co(II) atom is coordin-ated by one water mol-ecule and one tridentate 2,2':6',2''-terpyridine ligand. O-H⋯N hydrogen-bonding inter-actions are found between adjacent chains and help to consolidate the crystal packing. In addition, relatively weak π-π stacking inter-actions exist between the terpyridine ligands of adjacent chains [inter-planar distance = 3.464 (7) Å]. No Pt⋯Pt inter-actions are observed in the structure.

Related literature

For structural studies on related coordination compounds, see: Maynard et al. (2008 ▶); Smith et al. (2012 ▶); Guo et al. (2012 ▶); Kobayashi et al. (2013 ▶). For characterization of tetra­cyanido­platinate compounds, see: Gliemann & Yersin (1985 ▶).

Experimental

Crystal data

[Co(C15H11N3)(H2O){Pt(CN)4}]

M = 609.38

Monoclinic,

a = 15.7272 (7) Å

b = 11.5164 (5) Å

c = 11.4048 (5) Å

β = 99.005 (4)°

V = 2040.20 (16) Å3

Z = 4

Mo Kα radiation

μ = 7.69 mm−1

T = 180 K

0.56 × 0.10 × 0.08 mm

Data collection

Agilent Xcalibur Eos diffractometer

Absorption correction: multi-scan (CrysAlis PRO; Agilent, 2014 ▶) T min = 0.264, T max = 1.000

4788 measured reflections

1861 independent reflections

1262 reflections with I > 2σ(I)

R int = 0.041

Refinement

R[F 2 > 2σ(F 2)] = 0.034

wR(F 2) = 0.091

S = 1.02

1861 reflections

138 parameters

4 restraints

H atoms treated by a mixture of independent and constrained refinement

Δρmax = 1.42 e Å−3

Δρmin = −1.52 e Å−3

Data collection: CrysAlis PRO (Agilent, 2014 ▶); cell refinement: CrysAlis PRO; data reduction: CrysAlis PRO; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008 ▶); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008 ▶); molecular graphics: OLEX2 (Dolomanov et al., 2009 ▶); software used to prepare material for publication: OLEX2 and publCIF (Westrip, 2010 ▶).

Crystal structure: contains datablock(s) I, New_Global_Publ_Block. DOI: 10.1107/S1600536814017425/hg5401sup1.cif

Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536814017425/hg5401Isup2.hkl

Click here for additional data file.

. DOI: 10.1107/S1600536814017425/hg5401fig1.tif

A ball-and-stick representation of the one-dimensional chains in (I).

Click here for additional data file.

x y z x y z . DOI: 10.1107/S1600536814017425/hg5401fig2.tif

A thermal ellipsoid plot of (I) with the atom-numbering scheme. Displacement ellipsoids for non-hydrogen atoms are drawn at the 50% probability level. H-atoms are shown as spheres of arbitrary size. Symmetry codes: (i) −x + , −y + , −z; (ii) −x + 1, y, −z + .

CCDC reference: 1016798

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

[CoPt(CN)4(C15H11N3)(H2O)]	F(000) = 1156
Mr = 609.38	Dx = 1.984 Mg m−3
Monoclinic, C2/c	Mo Kα radiation, λ = 0.71073 Å
a = 15.7272 (7) Å	Cell parameters from 1258 reflections
b = 11.5164 (5) Å	θ = 4.0–28.1°
c = 11.4048 (5) Å	µ = 7.69 mm−1
β = 99.005 (4)°	T = 180 K
V = 2040.20 (16) Å3	Needle, clear pink
Z = 4	0.56 × 0.10 × 0.08 mm

Agilent Xcalibur Eos diffractometer	1861 independent reflections
Radiation source: Enhance (Mo) X-ray Source	1262 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.041
Detector resolution: 16.0514 pixels mm-1	θmax = 25.3°, θmin = 3.5°
ω scans	h = −18→18
Absorption correction: multi-scan (CrysAlis PRO; Agilent, 2014)	k = −13→13
Tmin = 0.264, Tmax = 1.000	l = −11→13
4788 measured reflections

Refinement on F2	Primary atom site location: heavy-atom method
Least-squares matrix: full	Secondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.034	Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.091	H atoms treated by a mixture of independent and constrained refinement
S = 1.02	w = 1/[σ2(Fo2) + (0.0367P)2] where P = (Fo2 + 2Fc2)/3
1861 reflections	(Δ/σ)max < 0.001
138 parameters	Δρmax = 1.42 e Å−3
4 restraints	Δρmin = −1.52 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 > 2σ(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
Pt1	0.7500	0.7500	0.5000	0.02646 (16)
Co1	0.5000	0.75946 (13)	0.7500	0.0265 (3)
N1	0.6140 (4)	0.7638 (6)	0.6711 (6)	0.0350 (16)
C1	0.6649 (5)	0.7601 (6)	0.6125 (6)	0.0281 (17)
O1	0.5000	0.9327 (7)	0.7500	0.043 (2)
H1	0.460 (3)	0.9754 (17)	0.715 (7)	0.064*
N2	0.6401 (4)	0.9291 (7)	0.3338 (6)	0.0447 (18)
C2	0.6790 (5)	0.8641 (8)	0.3938 (7)	0.0365 (19)
N4	0.5000	0.5778 (7)	0.7500	0.0274 (19)
C7	0.5912 (4)	0.6000 (7)	0.9333 (7)	0.0304 (17)
C9	0.5471 (5)	0.4041 (7)	0.8438 (7)	0.039 (2)
H9	0.5785	0.3641	0.9070	0.047*
C4	0.6723 (5)	0.7523 (8)	1.0967 (7)	0.044 (2)
H4	0.6983	0.8060	1.1518	0.052*
N3	0.5766 (4)	0.7150 (6)	0.9158 (5)	0.0310 (15)
C6	0.6475 (4)	0.5594 (7)	1.0321 (6)	0.038 (2)
H6	0.6570	0.4802	1.0426	0.046*
C8	0.5467 (5)	0.5248 (7)	0.8418 (7)	0.037 (2)
C5	0.6885 (5)	0.6369 (9)	1.1133 (7)	0.046 (2)
H5	0.7267	0.6110	1.1786	0.055*
C3	0.6164 (5)	0.7895 (8)	0.9965 (7)	0.040 (2)
H3	0.6065	0.8686	0.9854	0.047*
C10	0.5000	0.3445 (11)	0.7500	0.040 (3)
H10	0.5000	0.2637	0.7500	0.047*

	U11	U22	U33	U12	U13	U23
Pt1	0.0223 (2)	0.0295 (3)	0.0281 (2)	0.00024 (18)	0.00559 (15)	−0.0007 (2)
Co1	0.0227 (7)	0.0306 (9)	0.0266 (7)	0.000	0.0054 (5)	0.000
N1	0.030 (4)	0.042 (5)	0.034 (3)	−0.004 (3)	0.008 (3)	−0.008 (3)
C1	0.023 (4)	0.032 (5)	0.029 (4)	0.000 (3)	0.002 (3)	−0.008 (4)
O1	0.028 (5)	0.032 (5)	0.064 (6)	0.000	−0.005 (4)	0.000
N2	0.038 (4)	0.048 (5)	0.047 (4)	0.009 (4)	0.002 (3)	0.000 (4)
C2	0.032 (4)	0.040 (5)	0.036 (4)	−0.004 (4)	0.000 (3)	0.000 (4)
N4	0.028 (5)	0.020 (5)	0.035 (5)	0.000	0.007 (4)	0.000
C7	0.026 (4)	0.030 (5)	0.035 (4)	0.007 (3)	0.008 (3)	0.004 (4)
C9	0.034 (4)	0.036 (5)	0.044 (5)	0.002 (4)	−0.003 (3)	0.004 (4)
C4	0.044 (5)	0.056 (6)	0.030 (4)	−0.003 (5)	0.004 (3)	−0.010 (4)
N3	0.031 (4)	0.034 (4)	0.028 (3)	0.002 (3)	0.006 (3)	0.000 (3)
C6	0.037 (5)	0.036 (5)	0.038 (5)	0.007 (4)	−0.001 (3)	0.008 (4)
C8	0.029 (4)	0.042 (5)	0.039 (5)	0.004 (4)	0.005 (3)	0.004 (4)
C5	0.041 (5)	0.056 (6)	0.037 (5)	0.009 (4)	−0.005 (4)	0.002 (5)
C3	0.045 (5)	0.039 (5)	0.035 (5)	0.003 (4)	0.008 (4)	0.003 (4)
C10	0.032 (6)	0.026 (7)	0.060 (8)	0.000	0.007 (5)	0.000

Pt1—C1	1.997 (8)	C7—C6	1.400 (10)
Pt1—C1i	1.997 (8)	C7—C8	1.450 (11)
Pt1—C2	2.005 (8)	C9—H9	0.9300
Pt1—C2i	2.005 (8)	C9—C8	1.391 (11)
Co1—N1	2.128 (6)	C9—C10	1.384 (10)
Co1—N1ii	2.128 (6)	C4—H4	0.9300
Co1—O1	1.995 (8)	C4—C5	1.360 (12)
Co1—N4	2.092 (9)	C4—C3	1.395 (11)
Co1—N3ii	2.139 (6)	N3—C3	1.340 (10)
Co1—N3	2.139 (6)	C6—H6	0.9300
N1—C1	1.122 (10)	C6—C5	1.372 (11)
O1—H1	0.849 (7)	C5—H5	0.9300
N2—C2	1.128 (10)	C3—H3	0.9300
N4—C8	1.329 (8)	C10—C9ii	1.384 (9)
N4—C8ii	1.329 (8)	C10—H10	0.9300
C7—N3	1.353 (9)
C1—Pt1—C1i	179.999 (2)	N3—C7—C6	121.1 (7)
C1—Pt1—C2i	90.9 (3)	N3—C7—C8	115.3 (7)
C1i—Pt1—C2i	89.1 (3)	C6—C7—C8	123.6 (8)
C1i—Pt1—C2	90.9 (3)	C8—C9—H9	120.6
C1—Pt1—C2	89.1 (3)	C10—C9—H9	120.6
C2i—Pt1—C2	179.998 (1)	C10—C9—C8	118.8 (8)
N1—Co1—N1ii	177.3 (4)	C5—C4—H4	120.2
N1—Co1—N3ii	91.5 (2)	C5—C4—C3	119.6 (8)
N1—Co1—N3	89.1 (2)	C3—C4—H4	120.2
N1ii—Co1—N3	91.5 (2)	C7—N3—Co1	115.1 (5)
N1ii—Co1—N3ii	89.1 (2)	C3—N3—Co1	126.3 (6)
O1—Co1—N1ii	88.67 (18)	C3—N3—C7	118.3 (7)
O1—Co1—N1	88.67 (19)	C7—C6—H6	120.1
O1—Co1—N4	180.000 (3)	C5—C6—C7	119.8 (8)
O1—Co1—N3ii	103.85 (18)	C5—C6—H6	120.1
O1—Co1—N3	103.85 (18)	N4—C8—C7	115.9 (8)
N4—Co1—N1	91.33 (18)	N4—C8—C9	118.3 (8)
N4—Co1—N1ii	91.33 (19)	C9—C8—C7	125.8 (7)
N4—Co1—N3ii	76.15 (18)	C4—C5—C6	118.9 (8)
N4—Co1—N3	76.15 (18)	C4—C5—H5	120.6
N3—Co1—N3ii	152.3 (4)	C6—C5—H5	120.6
C1—N1—Co1	168.1 (6)	C4—C3—H3	118.9
N1—C1—Pt1	176.4 (6)	N3—C3—C4	122.2 (8)
Co1—O1—H1	125.4 (14)	N3—C3—H3	118.9
N2—C2—Pt1	179.0 (8)	C9ii—C10—C9	120.5 (12)
C8—N4—Co1	117.4 (5)	C9—C10—H10	119.7
C8ii—N4—Co1	117.4 (5)	C9ii—C10—H10	119.7
C8ii—N4—C8	125.3 (10)
Co1—N4—C8—C7	1.2 (7)	N3ii—Co1—N4—C8ii	−2.9 (4)
Co1—N4—C8—C9	179.6 (5)	N3—Co1—N4—C8	−2.9 (4)
Co1—N3—C3—C4	−173.3 (6)	N3—Co1—N4—C8ii	177.1 (4)
N1—Co1—N4—C8	85.8 (4)	N3ii—Co1—N3—C7	4.3 (5)
N1—Co1—N4—C8ii	−94.2 (4)	N3ii—Co1—N3—C3	178.1 (6)
N1ii—Co1—N4—C8ii	85.8 (4)	N3—C7—C6—C5	0.3 (11)
N1ii—Co1—N4—C8	−94.2 (4)	N3—C7—C8—N4	2.6 (10)
N1ii—Co1—N3—C7	95.3 (5)	N3—C7—C8—C9	−175.7 (7)
N1—Co1—N3—C7	−87.3 (5)	C6—C7—N3—Co1	173.3 (5)
N1ii—Co1—N3—C3	−90.9 (6)	C6—C7—N3—C3	−1.0 (11)
N1—Co1—N3—C3	86.5 (6)	C6—C7—C8—N4	−175.7 (6)
O1—Co1—N1—C1	−107 (3)	C6—C7—C8—C9	6.0 (13)
O1—Co1—N3—C7	−175.7 (5)	C8ii—N4—C8—C7	−178.8 (7)
O1—Co1—N3—C3	−1.9 (6)	C8ii—N4—C8—C9	−0.4 (5)
N4—Co1—N1—C1	73 (3)	C8—C7—N3—Co1	−5.0 (8)
N4—Co1—N3—C7	4.3 (5)	C8—C7—N3—C3	−179.4 (6)
N4—Co1—N3—C3	178.1 (6)	C8—C7—C6—C5	178.6 (7)
C7—N3—C3—C4	0.4 (11)	C8—C9—C10—C9ii	−0.4 (5)
C7—C6—C5—C4	1.0 (12)	C5—C4—C3—N3	1.0 (12)
N3—Co1—N1—C1	149 (3)	C3—C4—C5—C6	−1.6 (12)
N3ii—Co1—N1—C1	−3 (3)	C10—C9—C8—N4	0.7 (10)
N3ii—Co1—N4—C8	177.1 (4)	C10—C9—C8—C7	179.0 (6)

D—H···A	D—H	H···A	D···A	D—H···A
O1—H1···N2iii	0.85 (1)	1.93 (2)	2.764 (8)	168 (9)

Table 1

Hydrogen-bond geometry (Å, °)

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
O1—H1⋯N2i	0.85 (1)	1.93 (2)	2.764 (8)	168 (9)

Symmetry code: (i) .