catena-Poly[[tris-(pyridine-κN)copper(II)]-μ-tetra-fluoro-terephthalato-κO:O].

In the title compound, [Cu(C(8)F(4)O(4))(C(5)H(5)N)(3)](n), the Cu(II) atom, lying on a twofold rotation axis, is five-coordinated by two O atoms from two tetra-fluoro-terephthalate ligands and three N atoms from three pyridine ligands in a distorted trigonal-bipyramidal geometry. Adjacent Cu(II) atoms are connected via the bridging tetra-fluoro-terephthalate ligands into a one-dimensional chain running along the [101] direction.

Related literature

For related literature, see: Baeg & Lee (2003 ▶); Baruah et al. (2007 ▶); Bastin et al. (2008 ▶); Cheng et al. (2007 ▶); Eddaoudi et al. (2000 ▶); Gould et al. (2008 ▶); Reineke et al. (1999 ▶); Stephenson & Hardie (2006 ▶); Yuan et al. (2004 ▶); Zhang et al. (2007 ▶); Zheng et al. (2008 ▶).

Experimental

Crystal data

[Cu(C8F4O4)(C5H5N)3]

M = 536.92

Monoclinic,

a = 15.3579 (8) Å

b = 8.7652 (5) Å

c = 16.6050 (9) Å

β = 100.241 (3)°

V = 2199.7 (2) Å3

Z = 4

Mo Kα radiation

μ = 1.06 mm−1

T = 273 (2) K

0.15 × 0.10 × 0.06 mm

Data collection

Bruker SMART APEXII CCD area-detector diffractometer

Absorption correction: multi-scan (SADABS; Sheldrick, 1996 ▶) T min = 0.857, T max = 0.939

10049 measured reflections

1950 independent reflections

1857 reflections with I > 2σ(I)

R int = 0.022

Refinement

R[F 2 > 2σ(F 2)] = 0.025

wR(F 2) = 0.071

S = 1.09

1950 reflections

160 parameters

H-atom parameters constrained

Δρmax = 0.29 e Å−3

Δρmin = −0.32 e Å−3

Data collection: APEX2 (Bruker, 2007 ▶); cell refinement: SAINT (Bruker, 2007 ▶); data reduction: SAINT; program(s) used to solve structure: SIR97 (Altomare et al., 1999 ▶); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008 ▶); molecular graphics: PLATON (Spek, 2003 ▶); software used to prepare material for publication: SHELXL97.

Crystal structure: contains datablocks global, I. DOI: 10.1107/S1600536808018977/hy2139sup1.cif

Structure factors: contains datablocks I. DOI: 10.1107/S1600536808018977/hy2139Isup2.hkl

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

[Cu(C8F4O4)(C5H5N)3]	F000 = 1084
Mr = 536.92	Dx = 1.621 Mg m−3
Monoclinic, C2/c	Mo Kα radiation λ = 0.71073 Å
Hall symbol: -C 2yc	Cell parameters from 7406 reflections
a = 15.3579 (8) Å	θ = 2.7–28.3º
b = 8.7652 (5) Å	µ = 1.06 mm−1
c = 16.6050 (9) Å	T = 273 (2) K
β = 100.241 (3)º	Block, blue
V = 2199.7 (2) Å3	0.15 × 0.10 × 0.06 mm
Z = 4

Bruker SMART APEXII CCD area-detector diffractometer	1950 independent reflections
Radiation source: fine-focus sealed tube	1857 reflections with I > 2σ(I)
Monochromator: graphite	Rint = 0.022
T = 273(2) K	θmax = 25.1º
φ and ω scans	θmin = 2.5º
Absorption correction: multi-scan(SADABS; Sheldrick, 1996)	h = −18→18
Tmin = 0.857, Tmax = 0.939	k = −10→10
10049 measured reflections	l = −19→19

Refinement on F2	H-atom parameters constrained
Least-squares matrix: full	w = 1/[σ2(Fo2) + (0.076P)2 + 0.2195P], P = (Fo2 + 2Fc2)/3
R[F2 > 2σ(F2)] = 0.025	(Δ/σ)max < 0.001
wR(F2) = 0.071	Δρmax = 0.29 e Å−3
S = 1.09	Δρmin = −0.32 e Å−3
1950 reflections	Extinction correction: none
160 parameters

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.

	x	y	z	Uiso*/Ueq
Cu1	1.0000	0.48258 (3)	0.2500	0.03297 (12)
F1	0.92606 (7)	0.77593 (17)	0.00333 (8)	0.0623 (4)
F2	0.68438 (9)	0.54002 (17)	0.09264 (9)	0.0671 (4)
O1	0.92455 (8)	0.61557 (16)	0.16170 (8)	0.0455 (3)
O2	0.86509 (13)	0.40923 (19)	0.09534 (10)	0.0696 (5)
N1	1.10527 (11)	0.49323 (17)	0.19221 (10)	0.0389 (4)
N2	1.0000	0.2460 (2)	0.2500	0.0373 (5)
C1	0.87159 (13)	0.5462 (2)	0.10665 (11)	0.0426 (4)
C2	0.80884 (12)	0.6517 (2)	0.05110 (11)	0.0380 (4)
C3	0.83842 (11)	0.7617 (2)	0.00333 (11)	0.0405 (4)
C4	0.71868 (13)	0.6428 (2)	0.04644 (11)	0.0421 (4)
C5	1.11090 (14)	0.6002 (2)	0.13562 (13)	0.0497 (5)
H5	1.0606	0.6562	0.1145	0.060*
C6	1.18819 (17)	0.6303 (3)	0.10757 (16)	0.0629 (6)
H6	1.1899	0.7058	0.0685	0.076*
C7	1.26229 (16)	0.5481 (3)	0.13773 (16)	0.0648 (7)
H7	1.3154	0.5678	0.1202	0.078*
C8	1.25719 (14)	0.4362 (3)	0.19412 (16)	0.0627 (6)
H8	1.3065	0.3770	0.2144	0.075*
C9	1.17809 (13)	0.4123 (3)	0.22054 (13)	0.0497 (5)
H9	1.1753	0.3371	0.2595	0.060*
C10	1.00346 (13)	0.1681 (2)	0.18168 (13)	0.0462 (5)
H10	1.0056	0.2218	0.1337	0.055*
C11	1.00405 (16)	0.0110 (3)	0.1796 (2)	0.0640 (7)
H11	1.0071	−0.0405	0.1312	0.077*
C12	1.0000	−0.0680 (4)	0.2500	0.0727 (11)
H12	1.0000	−0.1741	0.2500	0.087*

	U11	U22	U33	U12	U13	U23
Cu1	0.03026 (18)	0.03081 (18)	0.03662 (19)	0.000	0.00260 (12)	0.000
F1	0.0316 (6)	0.0927 (10)	0.0611 (8)	0.0037 (6)	0.0038 (5)	0.0250 (7)
F2	0.0513 (7)	0.0780 (9)	0.0705 (9)	−0.0032 (7)	0.0064 (6)	0.0393 (7)
O1	0.0377 (7)	0.0536 (8)	0.0402 (7)	0.0054 (6)	−0.0064 (6)	0.0110 (6)
O2	0.0893 (12)	0.0491 (10)	0.0593 (10)	0.0198 (8)	−0.0170 (9)	0.0028 (7)
N1	0.0353 (8)	0.0404 (8)	0.0402 (9)	−0.0013 (6)	0.0049 (7)	−0.0037 (6)
N2	0.0348 (10)	0.0303 (10)	0.0452 (12)	0.000	0.0033 (9)	0.000
C1	0.0415 (10)	0.0502 (12)	0.0338 (10)	0.0121 (9)	0.0004 (8)	0.0079 (8)
C2	0.0375 (9)	0.0422 (10)	0.0312 (9)	0.0068 (7)	−0.0024 (7)	0.0030 (7)
C3	0.0291 (8)	0.0537 (11)	0.0364 (9)	0.0033 (8)	−0.0004 (7)	0.0041 (8)
C4	0.0419 (10)	0.0468 (11)	0.0359 (9)	0.0003 (8)	0.0024 (8)	0.0108 (8)
C5	0.0488 (11)	0.0494 (12)	0.0520 (12)	−0.0007 (9)	0.0121 (9)	0.0049 (9)
C6	0.0667 (15)	0.0669 (15)	0.0601 (14)	−0.0140 (12)	0.0245 (12)	0.0020 (11)
C7	0.0447 (12)	0.0851 (17)	0.0687 (16)	−0.0165 (12)	0.0215 (11)	−0.0195 (14)
C8	0.0354 (11)	0.0820 (17)	0.0692 (15)	0.0034 (11)	0.0052 (10)	−0.0112 (14)
C9	0.0380 (10)	0.0579 (13)	0.0512 (12)	0.0037 (9)	0.0025 (9)	−0.0002 (10)
C10	0.0416 (10)	0.0398 (10)	0.0560 (12)	0.0010 (8)	0.0053 (9)	−0.0104 (9)
C11	0.0498 (13)	0.0455 (13)	0.094 (2)	0.0042 (9)	0.0057 (13)	−0.0265 (12)
C12	0.0525 (19)	0.0297 (15)	0.132 (4)	0.000	0.007 (2)	0.000

Cu1—N1	2.0236 (16)	C4—C3ii	1.376 (3)
Cu1—N1i	2.0236 (16)	C5—C6	1.376 (3)
Cu1—O1	2.0609 (12)	C5—H5	0.9300
Cu1—O1i	2.0609 (12)	C6—C7	1.365 (4)
Cu1—N2	2.073 (2)	C6—H6	0.9300
F1—C3	1.352 (2)	C7—C8	1.368 (4)
F2—C4	1.350 (2)	C7—H7	0.9300
O1—C1	1.266 (2)	C8—C9	1.379 (3)
O2—C1	1.216 (3)	C8—H8	0.9300
N1—C9	1.337 (3)	C9—H9	0.9300
N1—C5	1.341 (3)	C10—C11	1.377 (3)
N2—C10	1.333 (2)	C10—H10	0.9300
N2—C10i	1.333 (2)	C11—C12	1.370 (4)
C1—C2	1.523 (2)	C11—H11	0.9300
C2—C4	1.375 (3)	C12—C11i	1.371 (4)
C2—C3	1.376 (3)	C12—H12	0.9300
C3—C4ii	1.376 (3)
N1—Cu1—N1i	174.71 (9)	F2—C4—C3ii	118.40 (17)
N1—Cu1—O1	91.84 (6)	C2—C4—C3ii	121.81 (17)
N1i—Cu1—O1	85.16 (6)	N1—C5—C6	122.6 (2)
N1—Cu1—O1i	85.17 (6)	N1—C5—H5	118.7
N1i—Cu1—O1i	91.84 (6)	C6—C5—H5	118.7
O1—Cu1—O1i	111.11 (8)	C7—C6—C5	119.2 (2)
N1—Cu1—N2	92.64 (4)	C7—C6—H6	120.4
N1i—Cu1—N2	92.64 (4)	C5—C6—H6	120.4
O1—Cu1—N2	124.45 (4)	C6—C7—C8	119.0 (2)
O1i—Cu1—N2	124.44 (4)	C6—C7—H7	120.5
C1—O1—Cu1	116.73 (12)	C8—C7—H7	120.5
C9—N1—C5	117.60 (18)	C7—C8—C9	119.2 (2)
C9—N1—Cu1	119.83 (14)	C7—C8—H8	120.4
C5—N1—Cu1	121.40 (14)	C9—C8—H8	120.4
C10—N2—C10i	118.4 (2)	N1—C9—C8	122.4 (2)
C10—N2—Cu1	120.81 (12)	N1—C9—H9	118.8
C10i—N2—Cu1	120.81 (12)	C8—C9—H9	118.8
O2—C1—O1	127.60 (17)	N2—C10—C11	122.4 (2)
O2—C1—C2	118.69 (17)	N2—C10—H10	118.8
O1—C1—C2	113.70 (17)	C11—C10—H10	118.8
C4—C2—C3	116.07 (16)	C12—C11—C10	118.8 (3)
C4—C2—C1	121.48 (17)	C12—C11—H11	120.6
C3—C2—C1	122.45 (16)	C10—C11—H11	120.6
F1—C3—C2	119.69 (16)	C11—C12—C11i	119.3 (3)
F1—C3—C4ii	118.18 (17)	C11—C12—H12	120.4
C2—C3—C4ii	122.12 (17)	C11i—C12—H12	120.4
F2—C4—C2	119.78 (17)
N1—Cu1—O1—C1	98.39 (14)	O2—C1—C2—C3	−120.1 (2)
N1i—Cu1—O1—C1	−85.98 (14)	O1—C1—C2—C3	61.3 (2)
O1i—Cu1—O1—C1	−176.08 (15)	C4—C2—C3—F1	−178.79 (17)
N2—Cu1—O1—C1	3.92 (15)	C1—C2—C3—F1	1.7 (3)
O1—Cu1—N1—C9	−174.91 (15)	C4—C2—C3—C4ii	−0.2 (3)
O1i—Cu1—N1—C9	74.06 (15)	C1—C2—C3—C4ii	−179.68 (18)
N2—Cu1—N1—C9	−50.30 (15)	C3—C2—C4—F2	−178.63 (18)
O1—Cu1—N1—C5	17.73 (16)	C1—C2—C4—F2	0.9 (3)
O1i—Cu1—N1—C5	−93.30 (16)	C3—C2—C4—C3ii	0.2 (3)
N2—Cu1—N1—C5	142.34 (15)	C1—C2—C4—C3ii	179.68 (18)
N1—Cu1—N2—C10	−49.29 (11)	C9—N1—C5—C6	−1.2 (3)
N1i—Cu1—N2—C10	130.71 (11)	Cu1—N1—C5—C6	166.42 (18)
O1—Cu1—N2—C10	44.76 (11)	N1—C5—C6—C7	0.5 (4)
O1i—Cu1—N2—C10	−135.25 (11)	C5—C6—C7—C8	1.0 (4)
N1—Cu1—N2—C10i	130.71 (11)	C6—C7—C8—C9	−1.7 (4)
N1i—Cu1—N2—C10i	−49.29 (11)	C5—N1—C9—C8	0.5 (3)
O1—Cu1—N2—C10i	−135.24 (11)	Cu1—N1—C9—C8	−167.33 (18)
O1i—Cu1—N2—C10i	44.76 (11)	C7—C8—C9—N1	0.9 (4)
Cu1—O1—C1—O2	−6.9 (3)	C10i—N2—C10—C11	−0.36 (16)
Cu1—O1—C1—C2	171.55 (12)	Cu1—N2—C10—C11	179.65 (16)
O2—C1—C2—C4	60.4 (3)	N2—C10—C11—C12	0.7 (3)
O1—C1—C2—C4	−118.2 (2)	C10—C11—C12—C11i	−0.33 (15)

Cu1—N1	2.0236 (16)
Cu1—O1	2.0609 (12)
Cu1—N2	2.073 (2)

N1—Cu1—N1i	174.71 (9)
N1—Cu1—O1	91.84 (6)
N1—Cu1—O1i	85.17 (6)
O1—Cu1—O1i	111.11 (8)
N1—Cu1—N2	92.64 (4)
O1—Cu1—N2	124.45 (4)

Symmetry code: (i) .