A chiral three-dimensional network in poly[μ-4,4'-bipyridine-di-μ-formato-cadmium(II)].

In the title compound, [Cd(HCOO)(2)(C(10)H(8)N(2))](n), the Cd(II) ion, located on a position with 2.22 site symmetry, is surrounded by two 4,4'-bipyridine ligands and four formate ligands in a distorted octahedral CdN(2)O(4) coordination. The 4,4'-bipyridine ligands bridge the metal ions, forming one-dimensional chains along different directions, which are further connected by formate ligands into a topologically (10(10).12(4).14)(10)(3) three-dimensional network.

Related literature

For the design and synthesis of coordination polymer complexes and their potential applications, see: Barbour (2006 ▶); Biradha (2003 ▶); Brammer (2004 ▶); Hosseini (2005 ▶); O’Keeffe & Yaghi (2001 ▶); Papaefstathiou & MacGillivray (2003 ▶); Venkataraman et al. (1995 ▶). For the 4,4′-bipyridine (4BPY) bridging ligand, see: Hagrman et al. (1999 ▶); Moulton & Zaworotko (2001 ▶); Sharma (2001 ▶); Zaworotko (2001 ▶). For one-dimensional zigzag networks using 2,2′-bpy as the ancillary ligand, see: Park et al. (2001 ▶). For the doubly inter­penetrated square grid network {[Zn(bipy)2(H2O)2][SiF6]}, see: Subramanian & Zaworotko (1995 ▶). For a three-dimensional network with large channels constructed through square grid networks of 4BPY and Zn(II) linked by SiF6 anions, see: Gable et al. (1990 ▶).

Experimental

Crystal data

[Cd(CHO2)2(C10H8N2)]

M = 358.62

Tetragonal,

a = 8.2269 (12) Å

c = 18.103 (4) Å

V = 1225.2 (4) Å3

Z = 4

Mo Kα radiation

μ = 1.79 mm−1

T = 293 K

0.33 × 0.33 × 0.20 mm

Data collection

Rigaku R-AXIS RAPID diffractometer

Absorption correction: multi-scan (ABSCOR; Higashi, 1995 ▶) T min = 0.554, T max = 0.698

1106 measured reflections

711 independent reflections

681 reflections with I > 2σ(I)

R int = 0.025

Refinement

R[F 2 > 2σ(F 2)] = 0.018

wR(F 2) = 0.046

S = 1.13

711 reflections

46 parameters

H-atom parameters constrained

Δρmax = 0.21 e Å−3

Δρmin = −0.43 e Å−3

Absolute structure: Flack (1983 ▶), 263 Friedel pairs

Flack parameter: 0.02 (7)

Data collection: RAPID-AUTO (Rigaku, 1998 ▶); cell refinement: RAPID-AUTO; data reduction: CrystalStructure (Rigaku/MSC, 2002 ▶); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008 ▶); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008 ▶); molecular graphics: SHELXL97; software used to prepare material for publication: SHELXL97.

Crystal structure: contains datablocks global, I. DOI: 10.1107/S1600536809009969/jh2074sup1.cif

Structure factors: contains datablocks I. DOI: 10.1107/S1600536809009969/jh2074Isup2.hkl

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

[Cd(CHO2)2(C10H8N2)]	Dx = 1.944 Mg m−3
Mr = 358.62	Mo Kα radiation, λ = 0.71073 Å
Tetragonal, I4122	Cell parameters from 1106 reflections
Hall symbol: I 4bw 2bw	θ = 3.2–27.5°
a = 8.2269 (12) Å	µ = 1.79 mm−1
c = 18.103 (4) Å	T = 293 K
V = 1225.2 (4) Å3	Granule, yellow
Z = 4	0.33 × 0.33 × 0.20 mm
F(000) = 704

Rigaku R-AXIS RAPID diffractometer	711 independent reflections
Radiation source: fine-focus sealed tube	681 reflections with I > 2σ(I)
graphite	Rint = 0.025
Detector resolution: 0 pixels mm-1	θmax = 27.5°, θmin = 2.7°
ω scans	h = −10→1
Absorption correction: multi-scan (ABSCOR; Higashi, 1995)	k = −10→1
Tmin = 0.554, Tmax = 0.698	l = −23→1
1106 measured reflections

Refinement on F2	Secondary atom site location: difference Fourier map
Least-squares matrix: full	Hydrogen site location: inferred from neighbouring sites
R[F2 > 2σ(F2)] = 0.018	H-atom parameters constrained
wR(F2) = 0.046	w = 1/[σ2(Fo2) + (0.018P)2 + 0.9631P] where P = (Fo2 + 2Fc2)/3
S = 1.13	(Δ/σ)max < 0.001
711 reflections	Δρmax = 0.21 e Å−3
46 parameters	Δρmin = −0.43 e Å−3
0 restraints	Absolute structure: Flack (1983), 263 Friedel pairs
Primary atom site location: structure-invariant direct methods	Flack parameter: 0.02 (7)

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
Cd1	0.0000	0.5000	0.7500	0.02047 (10)
O1	0.1521 (3)	0.6479 (3)	0.66505 (10)	0.0380 (4)
N1	0.1982 (2)	0.3018 (2)	0.7500	0.0284 (6)
C1	0.0885 (5)	0.7500	0.6250	0.0354 (9)
H1A	−0.0282	0.7500	0.6250	0.042*
C2	0.3461 (3)	0.3320 (3)	0.72483 (18)	0.0431 (7)
H2	0.3680	0.4350	0.7062	0.052*
C3	0.4696 (3)	0.2183 (3)	0.7249 (2)	0.0432 (8)
H3	0.5731	0.2454	0.7083	0.052*
C4	0.4359 (3)	0.0641 (3)	0.7500	0.0269 (7)

	U11	U22	U33	U12	U13	U23
Cd1	0.01803 (12)	0.01803 (12)	0.02535 (16)	0.00289 (14)	0.000	0.000
O1	0.0320 (11)	0.0393 (12)	0.0428 (10)	0.0038 (8)	0.0064 (10)	0.0191 (10)
N1	0.0214 (8)	0.0214 (8)	0.0425 (15)	0.0042 (10)	0.0017 (10)	0.0017 (10)
C1	0.0238 (19)	0.047 (2)	0.0354 (19)	0.000	0.000	0.0116 (18)
C2	0.0256 (13)	0.0257 (13)	0.078 (2)	0.0063 (9)	0.0064 (14)	0.0173 (14)
C3	0.0197 (14)	0.0333 (14)	0.077 (2)	0.0050 (11)	0.0072 (12)	0.0180 (14)
C4	0.0228 (9)	0.0228 (9)	0.0352 (16)	0.0083 (13)	−0.0012 (12)	−0.0012 (12)

Cd1—N1	2.306 (3)	C1—O1iv	1.227 (3)
Cd1—N1i	2.306 (3)	C1—H1A	0.9600
Cd1—O1ii	2.3264 (18)	C2—C3	1.381 (4)
Cd1—O1i	2.3264 (18)	C2—H2	0.9300
Cd1—O1iii	2.3264 (18)	C3—C4	1.376 (3)
Cd1—O1	2.3264 (18)	C3—H3	0.9300
O1—C1	1.227 (3)	C4—C3iii	1.376 (3)
N1—C2	1.323 (3)	C4—C4v	1.492 (7)
N1—C2iii	1.323 (3)
N1—Cd1—N1i	180.0	C2—N1—C2iii	117.6 (3)
N1—Cd1—O1ii	90.61 (6)	C2—N1—Cd1	121.20 (16)
N1i—Cd1—O1ii	89.39 (6)	C2iii—N1—Cd1	121.20 (16)
N1—Cd1—O1i	90.61 (6)	O1—C1—O1iv	129.5 (4)
N1i—Cd1—O1i	89.39 (6)	O1—C1—H1A	115.3
O1ii—Cd1—O1i	178.78 (12)	O1iv—C1—H1A	115.3
N1—Cd1—O1iii	89.39 (6)	N1—C2—C3	123.4 (3)
N1i—Cd1—O1iii	90.61 (6)	N1—C2—H2	118.3
O1ii—Cd1—O1iii	97.24 (10)	C3—C2—H2	118.3
O1i—Cd1—O1iii	82.77 (10)	C4—C3—C2	118.4 (3)
N1—Cd1—O1	89.39 (6)	C4—C3—H3	120.8
N1i—Cd1—O1	90.61 (6)	C2—C3—H3	120.8
O1ii—Cd1—O1	82.77 (10)	C3iii—C4—C3	118.7 (3)
O1i—Cd1—O1	97.24 (10)	C3iii—C4—C4v	120.63 (16)
O1iii—Cd1—O1	178.78 (12)	C3—C4—C4v	120.63 (16)
C1—O1—Cd1	121.3 (2)

Table 1

Selected geometric parameters (Å, °)

Cd1—N1	2.306 (3)
Cd1—N1i	2.306 (3)
Cd1—O1ii	2.3264 (18)
Cd1—O1i	2.3264 (18)
Cd1—O1iii	2.3264 (18)
Cd1—O1	2.3264 (18)

Symmetry codes: (i) ; (ii) ; (iii) .