catena-Poly[[[tetra-aqua-copper(II)]-μ-4,4'-bipyridyl-κ(2)N:N'] tetra-fluorido-succinate tetra-hydrate].

In the title compound, {[Cu(C(10)H(8)N(2))(H(2)O)(4)](C(4)F(4)O(4))·4H(2)O}(n), the Cu(II) atom adopts an elongated octa-hedral geometry because of the Jahn-Teller effect. Both cation and anion have crystallographic twofold rotation symmetry with the twofold axes passing through the Cu and N atoms and through the midpoint of the central C-C bond. The 4,4'-bipyridyl ligand links the Cu(II) atoms into a linear chain along the b axis. O-H⋯O hydrogen-bonding inter-actions between the cationic chains and the tetra-fluorido-succinate anions and the free water mol-ecules generate a three-dimensional supra-molecular network.

Related literature

For background to metal-organic framework structures, see: Allendorf et al. (2009 ▶). For the construction of hybrid frameworks with perfluorinated ligands, see: Yang et al. (2007 ▶); Hulvey et al. (2009 ▶).

Experimental

Crystal data

[Cu(C10H8N2)(H2O)4](C4F4O4)·4H2O

M = 551.89

Monoclinic,

a = 17.112 (3) Å

b = 11.135 (2) Å

c = 12.126 (2) Å

β = 104.85 (3)°

V = 2233.3 (7) Å3

Z = 4

Mo Kα radiation

μ = 1.07 mm−1

T = 298 K

0.44 × 0.22 × 0.10 mm

Data collection

Bruker SMART APEX diffractometer

Absorption correction: multi-scan (SADABS; Bruker, 2005 ▶) T min = 0.650, T max = 0.900

10662 measured reflections

2546 independent reflections

2115 reflections with I > 2σ(I)

R int = 0.026

Refinement

R[F 2 > 2σ(F 2)] = 0.027

wR(F 2) = 0.085

S = 1.28

2546 reflections

153 parameters

H-atom parameters constrained

Δρmax = 0.70 e Å−3

Δρmin = −0.78 e Å−3

Data collection: SMART (Bruker, 2005 ▶); cell refinement: SAINT (Bruker, 2005 ▶); 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 datablock(s) I, global. DOI: 10.1107/S1600536812014948/mw2062sup1.cif

Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536812014948/mw2062Isup2.hkl

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

[Cu(C10H8N2)(H2O)4](C4F4O4)·4H2O	F(000) = 1132
Mr = 551.89	Dx = 1.641 Mg m−3
Monoclinic, C2/c	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -C 2yc	Cell parameters from 8384 reflections
a = 17.112 (3) Å	θ = 3.0–27.4°
b = 11.135 (2) Å	µ = 1.07 mm−1
c = 12.126 (2) Å	T = 298 K
β = 104.85 (3)°	Block, blue
V = 2233.3 (7) Å3	0.44 × 0.22 × 0.10 mm
Z = 4

Bruker SMART APEX diffractometer	2546 independent reflections
Radiation source: fine-focus sealed tube	2115 reflections with I > 2σ(I)
Graphite monochromator	Rint = 0.026
Detector resolution: 28 pixels mm-1	θmax = 27.4°, θmin = 3.0°
ω scans	h = −22→21
Absorption correction: multi-scan (SADABS; Bruker, 2005)	k = −14→14
Tmin = 0.650, Tmax = 0.900	l = −15→15
10662 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)] = 0.027	H-atom parameters constrained
wR(F2) = 0.085	w = 1/[σ2(Fo2) + (0.0175P)2 + 4.9756P] where P = (Fo2 + 2Fc2)/3
S = 1.28	(Δ/σ)max = 0.001
2546 reflections	Δρmax = 0.70 e Å−3
153 parameters	Δρmin = −0.78 e Å−3
0 restraints	Extinction correction: SHELXL97 (Sheldrick, 2008), Fc*=kFc[1+0.001xFc2λ3/sin(2θ)]-1/4
Primary atom site location: structure-invariant direct methods	Extinction coefficient: 0.0077 (3)

Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds 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 > 2sigma(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
Cu1	0.5000	0.87438 (3)	0.7500	0.02173 (14)
F1	0.33513 (10)	0.31057 (16)	0.46607 (16)	0.0488 (5)
F2	0.29291 (11)	0.33959 (16)	0.61875 (14)	0.0457 (4)
O1	0.43960 (11)	0.87146 (15)	0.58758 (13)	0.0277 (4)
H3	0.4154	0.8089	0.5664	0.033*
H4	0.4087	0.9285	0.5680	0.033*
O2	0.16201 (13)	0.45430 (18)	0.49626 (16)	0.0426 (5)
O3	0.20898 (16)	0.4317 (2)	0.34192 (18)	0.0559 (7)
O4	0.36711 (11)	0.88591 (16)	0.79355 (15)	0.0307 (4)
H7	0.3579	0.8968	0.8561	0.037*
H8	0.3448	0.9399	0.7503	0.037*
O5	0.35115 (14)	0.6752 (2)	0.5062 (2)	0.0533 (6)
H9	0.3262	0.6610	0.5542	0.064*
H10	0.3197	0.7005	0.4479	0.064*
O6	0.23890 (14)	0.7923 (2)	0.32616 (18)	0.0540 (6)
H12	0.2530	0.8407	0.2843	0.065*
H11	0.2113	0.7397	0.2874	0.065*
N1	0.5000	0.6931 (2)	0.7500	0.0212 (6)
N2	0.5000	0.0563 (2)	0.7500	0.0231 (6)
C1	0.45882 (16)	0.6311 (2)	0.8111 (2)	0.0296 (5)
H1	0.4301	0.6731	0.8541	0.035*
C2	0.45722 (17)	0.5067 (2)	0.8129 (2)	0.0315 (6)
H2	0.4276	0.4668	0.8561	0.038*
C3	0.5000	0.4417 (3)	0.7500	0.0244 (7)
C4	0.5000	0.3076 (3)	0.7500	0.0246 (7)
C5	0.48432 (17)	0.2427 (2)	0.8399 (2)	0.0298 (6)
H5	0.4737	0.2827	0.9019	0.036*
C6	0.48451 (16)	0.1187 (2)	0.8369 (2)	0.0277 (5)
H6	0.4735	0.0766	0.8975	0.033*
C7	0.26765 (16)	0.3133 (2)	0.5056 (2)	0.0339 (6)
C8	0.20728 (18)	0.4103 (2)	0.4409 (2)	0.0363 (6)

	U11	U22	U33	U12	U13	U23
Cu1	0.0336 (3)	0.01019 (19)	0.0216 (2)	0.000	0.00738 (16)	0.000
F1	0.0408 (10)	0.0482 (10)	0.0676 (12)	0.0108 (8)	0.0323 (9)	0.0130 (9)
F2	0.0502 (10)	0.0491 (10)	0.0327 (8)	0.0104 (8)	0.0014 (7)	0.0004 (7)
O1	0.0379 (10)	0.0199 (8)	0.0241 (8)	0.0054 (7)	0.0058 (7)	0.0010 (7)
O2	0.0532 (13)	0.0414 (11)	0.0369 (10)	0.0262 (10)	0.0185 (9)	0.0090 (9)
O3	0.0837 (17)	0.0539 (14)	0.0366 (11)	0.0379 (13)	0.0276 (11)	0.0198 (10)
O4	0.0366 (10)	0.0288 (9)	0.0296 (9)	0.0033 (8)	0.0135 (7)	0.0058 (7)
O5	0.0492 (13)	0.0590 (14)	0.0498 (13)	−0.0107 (11)	0.0090 (10)	−0.0077 (11)
O6	0.0659 (15)	0.0598 (14)	0.0361 (11)	−0.0240 (12)	0.0125 (10)	−0.0009 (10)
N1	0.0260 (14)	0.0129 (12)	0.0245 (13)	0.000	0.0063 (11)	0.000
N2	0.0333 (16)	0.0125 (12)	0.0273 (14)	0.000	0.0145 (12)	0.000
C1	0.0395 (14)	0.0167 (11)	0.0392 (13)	0.0029 (10)	0.0224 (11)	−0.0002 (10)
C2	0.0433 (16)	0.0166 (11)	0.0427 (14)	−0.0001 (10)	0.0260 (12)	0.0033 (10)
C3	0.0317 (18)	0.0126 (14)	0.0307 (17)	0.000	0.0115 (14)	0.000
C4	0.0319 (18)	0.0121 (14)	0.0325 (17)	0.000	0.0130 (14)	0.000
C5	0.0484 (16)	0.0163 (11)	0.0303 (13)	−0.0009 (10)	0.0206 (11)	−0.0027 (9)
C6	0.0429 (15)	0.0178 (11)	0.0282 (12)	0.0002 (10)	0.0194 (11)	0.0016 (9)
C7	0.0338 (14)	0.0386 (15)	0.0323 (13)	0.0102 (12)	0.0140 (11)	0.0063 (11)
C8	0.0484 (17)	0.0291 (13)	0.0312 (13)	0.0147 (12)	0.0101 (12)	0.0082 (11)

Cu1—O1i	1.9760 (17)	N1—C1	1.338 (3)
Cu1—O1	1.9761 (17)	N2—C6	1.344 (3)
Cu1—N1	2.018 (3)	N2—C6i	1.344 (3)
Cu1—N2ii	2.025 (3)	N2—Cu1iii	2.025 (3)
F1—C7	1.360 (3)	C1—C2	1.386 (3)
F2—C7	1.360 (3)	C1—H1	0.9300
O1—H3	0.8180	C2—C3	1.388 (3)
O1—H4	0.8212	C2—H2	0.9300
O2—C8	1.248 (3)	C3—C2i	1.388 (3)
O3—C8	1.232 (3)	C3—C4	1.494 (4)
O4—H7	0.8224	C4—C5	1.390 (3)
O4—H8	0.8241	C4—C5i	1.390 (3)
O5—H9	0.8196	C5—C6	1.382 (3)
O5—H10	0.8200	C5—H5	0.9300
O6—H12	0.8182	C6—H6	0.9300
O6—H11	0.8207	C7—C7iv	1.525 (6)
N1—C1i	1.338 (3)	C7—C8	1.560 (4)
O1i—Cu1—O1	178.11 (10)	C3—C2—H2	120.1
O1i—Cu1—N1	89.06 (5)	C2—C3—C2i	117.2 (3)
O1—Cu1—N1	89.06 (5)	C2—C3—C4	121.38 (15)
O1i—Cu1—N2ii	90.94 (5)	C2i—C3—C4	121.38 (15)
O1—Cu1—N2ii	90.94 (5)	C5—C4—C5i	117.4 (3)
N1—Cu1—N2ii	180.000 (1)	C5—C4—C3	121.31 (15)
Cu1—O1—H3	114.9	C5i—C4—C3	121.30 (15)
Cu1—O1—H4	114.1	C6—C5—C4	119.8 (2)
H3—O1—H4	109.3	C6—C5—H5	120.1
H7—O4—H8	108.2	C4—C5—H5	120.1
H9—O5—H10	109.4	N2—C6—C5	122.6 (2)
H12—O6—H11	109.5	N2—C6—H6	118.7
C1i—N1—C1	117.8 (3)	C5—C6—H6	118.7
C1i—N1—Cu1	121.09 (14)	F1—C7—F2	106.3 (2)
C1—N1—Cu1	121.09 (14)	F1—C7—C7iv	107.5 (3)
C6—N2—C6i	117.8 (3)	F2—C7—C7iv	107.8 (3)
C6—N2—Cu1iii	121.12 (14)	F1—C7—C8	110.5 (2)
C6i—N2—Cu1iii	121.12 (14)	F2—C7—C8	110.9 (2)
N1—C1—C2	122.7 (2)	C7iv—C7—C8	113.5 (3)
N1—C1—H1	118.7	O3—C8—O2	128.4 (3)
C2—C1—H1	118.7	O3—C8—C7	116.5 (2)
C1—C2—C3	119.8 (2)	O2—C8—C7	115.1 (2)
C1—C2—H2	120.1

D—H···A	D—H	H···A	D···A	D—H···A
O6—H11···O4v	0.82	2.01	2.826 (3)	172
O6—H12···O3vi	0.82	2.07	2.879 (3)	168
O5—H10···O6	0.82	2.02	2.830 (3)	168
O5—H9···O6v	0.82	2.11	2.871 (3)	155
O4—H8···O3v	0.82	1.90	2.725 (3)	176
O4—H7···O2vii	0.82	2.01	2.824 (3)	170
O1—H4···O2v	0.82	1.81	2.630 (2)	172
O1—H3···O5	0.82	1.88	2.697 (3)	174

Table 1

Hydrogen-bond geometry (Å, °)

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
O6—H11⋯O4i	0.82	2.01	2.826 (3)	172
O6—H12⋯O3ii	0.82	2.07	2.879 (3)	168
O5—H10⋯O6	0.82	2.02	2.830 (3)	168
O5—H9⋯O6i	0.82	2.11	2.871 (3)	155
O4—H8⋯O3i	0.82	1.90	2.725 (3)	176
O4—H7⋯O2iii	0.82	2.01	2.824 (3)	170
O1—H4⋯O2i	0.82	1.81	2.630 (2)	172
O1—H3⋯O5	0.82	1.88	2.697 (3)	174

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