catena-Poly[[bis­(μ-2-formyl-6-meth­oxy­phenolato-1:2κ4O1,O6:O1,O2)copper(II)sodium]-μ-tetra­fluorido­borate-1:1′κ2F:F′]

Yang, Y.; Gao, P.; Yang, J.-L.; Hou, H.-G.; Gao, T.

doi:10.1107/S1600536811051713

metal-organic compounds

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ISSN: 2056-9890

Volume 68| Part 1| January 2012| Page m37

doi:10.1107/S1600536811051713

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catena-Poly[[bis(μ-2-formyl-6-methoxyphenolato-1:2κ⁴O¹,O⁶:O¹,O²)copper(II)sodium]-μ-tetrafluoridoborate-1:1′κ²F:F′]

Yu Yang,^a Po Gao,^a Jing-Lin Yang,^a Hai-Ge Hou ^a and Ting Gao ^a ^*

^aSchool of Chemistry and Materials Science, Heilongjiang University, Harbin 150080, People's Republic of China
^*Correspondence e-mail: gaoting1218@yahoo.com.cn

(Received 16 November 2011; accepted 1 December 2011; online 10 December 2011)

In the title heterodinuclear complex, [CuNa(BF₄)(C₈H₇O₃)₂]_n, the Cu^II ion is four-coordinated by four O atoms of two 2-formyl-6-methoxyphenolate ligands, giving rise to a square-planar geometry. The Na⁺ ion is six-coordinated by four O atoms from the two ligands and two F atoms of two tetrafluoridoborate anions. The tetrafluoridoborate anion links the Na⁺ ions, forming a one-dimensional structure along [001]. Three F atoms of the tetrafluoridoborate anion are disordered over two sets of sites, with an occupancy ratio of 0.790 (11):0.210 (11).

Related literature

For related heterodinuclear complexes, see: Gao et al. (2011 ); Kajiwara et al. (2008 ).

Experimental

Crystal data

[CuNa(BF₄)(C₈H₇O₃)₂]
M_r = 475.62
Monoclinic, P 2₁ /c
a = 9.932 (2) Å
b = 19.349 (4) Å
c = 9.940 (2) Å
β = 105.16 (3)°
V = 1843.7 (7) Å³
Z = 4
Mo Kα radiation
μ = 1.28 mm⁻¹
T = 293 K
0.21 × 0.18 × 0.16 mm

Data collection

Rigaku R-AXIS RAPID diffractometer
Absorption correction: multi-scan (ABSCOR; Higashi, 1995 ) T_min = 0.779, T_max = 0.820
17729 measured reflections
4201 independent reflections
2278 reflections with I > 2σ(I)
R_int = 0.100

Refinement

R[F² > 2σ(F²)] = 0.061
wR(F²) = 0.143
S = 1.04
4201 reflections
292 parameters
30 restraints
H-atom parameters constrained
Δρ_max = 0.50 e Å⁻³
Δρ_min = −0.34 e Å⁻³

Table 1
Selected bond lengths (Å)

Cu1—O2	1.888 (3)
Cu1—O3	1.929 (3)
Cu1—O5	1.889 (3)
Cu1—O6	1.936 (3)
Na1—O1	2.615 (3)
Na1—O2	2.377 (3)
Na1—O4	2.614 (4)
Na1—O5	2.370 (3)
Na1—F1	2.215 (7)
Na1—F3′	2.344 (17)
Na1—F4ⁱ	2.243 (4)
Symmetry code: (i) $[x, -y+{\script{3\over 2}}, z+{\script{1\over 2}}]$ .

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: DIAMOND (Brandenburg, 1999 ); software used to prepare material for publication: SHELXTL (Sheldrick, 2008).

Supporting information

Crystal structure: contains datablocks global, I. DOI: 10.1107/S1600536811051713/hy2490sup1.cif

Structure factors: contains datablock I. DOI: 10.1107/S1600536811051713/hy2490Isup2.hkl

checkCIF report

Comment top

Orthovanillin is a commercial ligand that can yeild heterodinuclear 3d-4f complexes with two different coordination sites; 3d ions have a marked affinity for the inner O₂O₂ site, whereas 4f ions prefer the larger outer O₂O₂ coordination site (Kajiwara et al., 2008). Recently, we were interested in the nature of the products obtained by reacting a 3d complex with alkali metal ions (Gao et al., 2011). In this paper we reacted a Cu complex with sodium tetrafluoridoborate to yield a heterodinuclear complex. As shown in Fig. 1, the Cu^II ion is four-coordinated by two aldehyde O atoms and two phenolate O atoms from two orthovanillin ligands (Table 1). The Cu^II ion is inserted to inner cavity in a square-planar geometry. The Na⁺ ion is ligated by two phenolate O atoms, two methoxyl O atoms and two F atoms from two tetrafluoridoborate anions. The Cu^II and Na⁺ ions are bridged by the phenolate O atoms.

Related literature top

For related heterodinuclear complexes, see: Gao et al. (2011); Kajiwara et al. (2008).

Experimental top

To a solution of o-vanillin (0.046 g, 0.20 mmol) in dichloromethane (5 ml) was added to a solution of copper(II) acetate monohydrate (0.040 g, 0.20 mmol) and sodium tetrafluoridoborate (0.034 g, 0.20 mmol) in ethanol (5 ml). The mixture was stirred, heated under reflux (30 min) and then allowed to cool to room temperature (yield: 70%). The crystals suitable for X-ray determination were obtained by slow diffusion of diethylether into the solution for one week. Analysis, calculated for C₁₆H₁₄BCuF₄NaO₆: C 40.40, H 2.97%; found: C 40.38, H 2.98%.

Computing details top

Data collection: RAPID-AUTO (Rigaku, 1998); cell refinement: RAPID-AUTO (Rigaku, 1998); 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: DIAMOND (Brandenburg, 1999); software used to prepare material for publication: SHELXTL (Sheldrick, 2008).

Figures top

Fig. 1. The molecular structure of the title compound, showing the 30% probability displacement ellipsoids. [Symmetry code: (i) x, 3/2-y, 1/2+z.]

catena-Poly[[bis(µ-2-formyl-6-methoxyphenolato- 1:2κ⁴O¹,O⁶:O¹,O²)copper(II)sodium]- µ-tetrafluoridoborate-1:1'κ²F:F'] top

Crystal data top

[CuNa(BF₄)(C₈H₇O₃)₂]	F(000) = 956
M_r = 475.62	D_x = 1.714 Mg m⁻³
Monoclinic, P2₁/c	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ybc	Cell parameters from 9827 reflections
a = 9.932 (2) Å	θ = 3.0–27.5°
b = 19.349 (4) Å	µ = 1.28 mm⁻¹
c = 9.940 (2) Å	T = 293 K
β = 105.16 (3)°	Block, colorless
V = 1843.7 (7) Å³	0.21 × 0.18 × 0.16 mm
Z = 4

Data collection top

Rigaku R-AXIS RAPID diffractometer	4201 independent reflections
Radiation source: fine-focus sealed tube	2278 reflections with I > 2σ(I)
Graphite monochromator	R_int = 0.100
ω scans	θ_max = 27.5°, θ_min = 3.0°
Absorption correction: multi-scan (ABSCOR; Higashi, 1995)	h = −12→12
T_min = 0.779, T_max = 0.820	k = −25→25
17729 measured reflections	l = −11→12

Refinement top

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)] = 0.061	Hydrogen site location: inferred from neighbouring sites
wR(F²) = 0.143	H-atom parameters constrained
S = 1.04	w = 1/[σ²(F_o²) + (0.0582P)²] where P = (F_o² + 2F_c²)/3
4201 reflections	(Δ/σ)_max < 0.001
292 parameters	Δρ_max = 0.50 e Å⁻³
30 restraints	Δρ_min = −0.34 e Å⁻³

Crystal data top

[CuNa(BF₄)(C₈H₇O₃)₂]	V = 1843.7 (7) Å³
M_r = 475.62	Z = 4
Monoclinic, P2₁/c	Mo Kα radiation
a = 9.932 (2) Å	µ = 1.28 mm⁻¹
b = 19.349 (4) Å	T = 293 K
c = 9.940 (2) Å	0.21 × 0.18 × 0.16 mm
β = 105.16 (3)°

Data collection top

Rigaku R-AXIS RAPID diffractometer	4201 independent reflections
Absorption correction: multi-scan (ABSCOR; Higashi, 1995)	2278 reflections with I > 2σ(I)
T_min = 0.779, T_max = 0.820	R_int = 0.100
17729 measured reflections

Refinement top

R[F² > 2σ(F²)] = 0.061	30 restraints
wR(F²) = 0.143	H-atom parameters constrained
S = 1.04	Δρ_max = 0.50 e Å⁻³
4201 reflections	Δρ_min = −0.34 e Å⁻³
292 parameters

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å²) top

	x	y	z	U_iso*/U_eq	Occ. (<1)
F1'	0.821 (3)	0.8431 (15)	0.453 (4)	0.135 (10)	0.210 (11)
F2'	0.979 (4)	0.8027 (19)	0.428 (4)	0.174 (14)	0.210 (11)
F3'	0.874 (2)	0.7798 (9)	0.6030 (15)	0.075 (6)	0.210 (11)
F1	0.7789 (9)	0.8066 (5)	0.5476 (9)	0.144 (3)	0.790 (11)
F2	0.8679 (9)	0.8364 (4)	0.3784 (7)	0.132 (3)	0.790 (11)
F3	0.9995 (6)	0.7795 (3)	0.5612 (7)	0.131 (3)	0.790 (11)
F4	0.8288 (4)	0.72587 (18)	0.4087 (4)	0.1037 (13)
B1	0.8662 (8)	0.7866 (3)	0.4740 (7)	0.0628 (17)
C1	1.1275 (4)	0.9403 (3)	0.8798 (5)	0.0456 (11)
C2	1.2649 (5)	0.9573 (3)	0.9383 (5)	0.0550 (13)
H2	1.3310	0.9224	0.9656	0.066*
C3	1.3060 (5)	1.0264 (3)	0.9568 (5)	0.0615 (14)
H3	1.3991	1.0372	0.9971	0.074*
C4	1.2118 (5)	1.0780 (3)	0.9166 (5)	0.0549 (13)
H4	1.2412	1.1238	0.9266	0.066*
C5	1.0682 (4)	1.0625 (2)	0.8591 (4)	0.0427 (11)
C6	1.0246 (4)	0.9926 (2)	0.8378 (4)	0.0402 (10)
C7	0.9744 (5)	1.1182 (3)	0.8252 (4)	0.0503 (12)
H7	1.0138	1.1621	0.8362	0.060*
C8	1.1712 (5)	0.8188 (3)	0.8887 (6)	0.0687 (15)
H8A	1.2427	0.8250	0.8409	0.103*
H8B	1.1231	0.7761	0.8600	0.103*
H8C	1.2127	0.8178	0.9875	0.103*
C9	0.4449 (5)	0.8729 (3)	0.6389 (5)	0.0559 (13)
C10	0.3042 (5)	0.8629 (3)	0.5859 (5)	0.0650 (15)
H10	0.2700	0.8181	0.5687	0.078*
C11	0.2110 (5)	0.9186 (3)	0.5569 (5)	0.0659 (16)
H11	0.1160	0.9107	0.5212	0.079*
C12	0.2593 (5)	0.9832 (3)	0.5809 (5)	0.0621 (15)
H12	0.1971	1.0201	0.5627	0.075*
C13	0.4038 (5)	0.9963 (3)	0.6338 (4)	0.0477 (12)
C14	0.4998 (4)	0.9407 (2)	0.6613 (4)	0.0435 (11)
C15	0.4493 (5)	1.0659 (3)	0.6616 (5)	0.0598 (14)
H15	0.3793	1.0992	0.6435	0.072*
C16	0.5011 (7)	0.7525 (3)	0.6450 (9)	0.120 (3)
H16A	0.4328	0.7411	0.6941	0.180*
H16B	0.5804	0.7225	0.6753	0.180*
H16C	0.4614	0.7465	0.5467	0.180*
Cu1	0.73679 (5)	1.03129 (3)	0.74231 (6)	0.0460 (2)
Na1	0.80631 (19)	0.85912 (9)	0.75096 (19)	0.0555 (5)
O1	1.0749 (3)	0.87466 (17)	0.8560 (3)	0.0542 (8)
O2	0.8957 (3)	0.97361 (15)	0.7830 (3)	0.0468 (8)
O3	0.8430 (3)	1.11575 (16)	0.7817 (3)	0.0538 (8)
O4	0.5441 (3)	0.82251 (18)	0.6728 (4)	0.0732 (11)
O5	0.6356 (3)	0.94771 (15)	0.7049 (3)	0.0482 (8)
O6	0.5707 (3)	1.08808 (17)	0.7071 (3)	0.0589 (9)

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
F1'	0.144 (13)	0.108 (12)	0.148 (14)	0.046 (9)	0.031 (9)	0.023 (9)
F2'	0.165 (16)	0.181 (17)	0.184 (17)	−0.004 (10)	0.061 (10)	−0.001 (10)
F3'	0.108 (11)	0.074 (9)	0.043 (7)	0.021 (8)	0.021 (7)	−0.014 (6)
F1	0.160 (6)	0.160 (6)	0.149 (6)	−0.009 (5)	0.106 (5)	−0.052 (5)
F2	0.175 (6)	0.118 (5)	0.116 (4)	0.009 (4)	0.058 (4)	0.059 (4)
F3	0.110 (5)	0.084 (4)	0.151 (6)	−0.006 (3)	−0.051 (4)	0.006 (3)
F4	0.133 (3)	0.070 (3)	0.095 (3)	−0.002 (2)	0.008 (2)	−0.034 (2)
B1	0.083 (4)	0.038 (3)	0.068 (4)	0.008 (3)	0.020 (4)	0.009 (3)
C1	0.044 (2)	0.049 (3)	0.044 (2)	0.003 (2)	0.010 (2)	0.006 (2)
C2	0.047 (3)	0.063 (4)	0.053 (3)	0.006 (2)	0.010 (2)	0.003 (3)
C3	0.041 (2)	0.082 (4)	0.061 (3)	−0.009 (3)	0.014 (2)	−0.006 (3)
C4	0.050 (3)	0.063 (4)	0.052 (3)	−0.018 (3)	0.015 (2)	−0.010 (3)
C5	0.045 (2)	0.046 (3)	0.037 (2)	−0.006 (2)	0.013 (2)	−0.001 (2)
C6	0.043 (2)	0.042 (3)	0.035 (2)	−0.007 (2)	0.0077 (19)	−0.0005 (19)
C7	0.063 (3)	0.039 (3)	0.048 (3)	−0.008 (2)	0.012 (2)	−0.005 (2)
C8	0.073 (3)	0.052 (3)	0.079 (4)	0.022 (3)	0.017 (3)	0.008 (3)
C9	0.047 (3)	0.062 (4)	0.055 (3)	−0.011 (2)	0.007 (2)	−0.006 (3)
C10	0.055 (3)	0.074 (4)	0.069 (3)	−0.018 (3)	0.021 (3)	−0.012 (3)
C11	0.042 (3)	0.095 (5)	0.060 (3)	−0.014 (3)	0.012 (2)	0.000 (3)
C12	0.041 (3)	0.089 (5)	0.054 (3)	0.007 (3)	0.008 (2)	0.010 (3)
C13	0.046 (2)	0.055 (3)	0.040 (2)	−0.003 (2)	0.009 (2)	−0.001 (2)
C14	0.043 (2)	0.050 (3)	0.036 (2)	−0.002 (2)	0.007 (2)	−0.005 (2)
C15	0.049 (3)	0.064 (4)	0.062 (3)	0.014 (3)	0.007 (2)	0.002 (3)
C16	0.079 (4)	0.054 (4)	0.212 (8)	−0.016 (3)	0.010 (5)	−0.023 (5)
Cu1	0.0427 (3)	0.0384 (3)	0.0514 (3)	−0.0002 (3)	0.0023 (2)	−0.0014 (3)
Na1	0.0595 (10)	0.0392 (11)	0.0616 (11)	−0.0008 (9)	0.0046 (9)	0.0018 (9)
O1	0.0483 (17)	0.041 (2)	0.068 (2)	0.0085 (15)	0.0063 (15)	0.0036 (16)
O2	0.0418 (15)	0.0359 (17)	0.0562 (18)	−0.0042 (14)	0.0011 (14)	−0.0001 (15)
O3	0.0541 (19)	0.042 (2)	0.058 (2)	−0.0009 (15)	0.0031 (16)	0.0009 (15)
O4	0.055 (2)	0.045 (2)	0.110 (3)	−0.0091 (17)	0.0063 (19)	−0.014 (2)
O5	0.0379 (15)	0.0449 (19)	0.0561 (19)	−0.0041 (13)	0.0019 (14)	−0.0034 (15)
O6	0.0485 (18)	0.049 (2)	0.074 (2)	0.0037 (16)	0.0064 (17)	−0.0013 (18)

Geometric parameters (Å, º) top

F1'—B1	1.18 (3)	C10—C11	1.400 (7)
F2'—B1	1.35 (3)	C10—H10	0.9300
F3'—B1	1.270 (16)	C11—C12	1.339 (8)
F1—B1	1.331 (9)	C11—H11	0.9300
F2—B1	1.357 (9)	C12—C13	1.416 (6)
F3—B1	1.387 (8)	C12—H12	0.9300
F4—B1	1.346 (7)	C13—C14	1.415 (6)
C1—O1	1.370 (5)	C13—C15	1.425 (7)
C1—C2	1.376 (6)	C14—O5	1.311 (5)
C1—C6	1.422 (6)	C15—O6	1.248 (5)
C2—C3	1.397 (7)	C15—H15	0.9300
C2—H2	0.9300	C16—O4	1.426 (6)
C3—C4	1.354 (7)	C16—H16A	0.9600
C3—H3	0.9300	C16—H16B	0.9600
C4—C5	1.423 (6)	C16—H16C	0.9600
C4—H4	0.9300	Cu1—O2	1.888 (3)
C5—C7	1.407 (6)	Cu1—O3	1.929 (3)
C5—C6	1.418 (6)	Cu1—O5	1.889 (3)
C6—O2	1.306 (5)	Cu1—O6	1.936 (3)
C7—O3	1.263 (5)	Cu1—Na1	3.399 (2)
C7—H7	0.9300	Na1—O1	2.615 (3)
C8—O1	1.423 (5)	Na1—O2	2.377 (3)
C8—H8A	0.9600	Na1—O4	2.614 (4)
C8—H8B	0.9600	Na1—O5	2.370 (3)
C8—H8C	0.9600	Na1—F1	2.215 (7)
C9—O4	1.364 (6)	Na1—F3'	2.344 (17)
C9—C10	1.373 (6)	Na1—F4ⁱ	2.243 (4)
C9—C14	1.415 (6)

B1—F3'—Na1	127.8 (12)	O6—C15—H15	115.7
B1—F1—Na1	133.9 (6)	C13—C15—H15	115.7
B1—F4—Na1ⁱⁱ	160.3 (4)	O4—C16—H16A	109.5
F1'—B1—F3'	101 (2)	O4—C16—H16B	109.5
F1'—B1—F2'	92 (2)	H16A—C16—H16B	109.5
F3'—B1—F2'	121.7 (19)	O4—C16—H16C	109.5
F1'—B1—F4	132.8 (15)	H16A—C16—H16C	109.5
F3'—B1—F4	109.5 (10)	H16B—C16—H16C	109.5
F4—B1—F2'	100.8 (15)	O2—Cu1—O5	84.72 (13)
F1—B1—F2	107.9 (7)	O2—Cu1—O3	94.30 (13)
F4—B1—F2	109.6 (6)	O5—Cu1—O3	179.02 (12)
F1—B1—F3	109.8 (7)	O2—Cu1—O6	177.29 (14)
F4—B1—F3	108.3 (5)	O5—Cu1—O6	93.78 (13)
F2—B1—F3	108.9 (6)	O3—Cu1—O6	87.19 (13)
F1—B1—F4	112.4 (7)	O2—Cu1—Na1	42.47 (9)
O1—C1—C2	125.9 (4)	O5—Cu1—Na1	42.27 (9)
O1—C1—C6	113.4 (4)	O3—Cu1—Na1	136.76 (10)
C2—C1—C6	120.7 (5)	O6—Cu1—Na1	135.94 (11)
C1—C2—C3	120.5 (5)	F1—Na1—F4ⁱ	105.5 (3)
C1—C2—H2	119.7	F1—Na1—F3'	27.6 (4)
C3—C2—H2	119.7	F4ⁱ—Na1—F3'	88.1 (4)
C4—C3—C2	120.7 (4)	F1—Na1—O5	104.2 (3)
C4—C3—H3	119.6	F4ⁱ—Na1—O5	126.93 (16)
C2—C3—H3	119.6	F3'—Na1—O5	131.4 (5)
C3—C4—C5	120.4 (5)	F1—Na1—O2	120.2 (3)
C3—C4—H4	119.8	F4ⁱ—Na1—O2	128.62 (14)
C5—C4—H4	119.8	F3'—Na1—O2	122.4 (5)
C7—C5—C6	122.5 (4)	O5—Na1—O2	64.85 (11)
C7—C5—C4	117.8 (4)	F1—Na1—O4	74.3 (2)
C6—C5—C4	119.7 (4)	F4ⁱ—Na1—O4	85.33 (15)
O2—C6—C5	124.0 (4)	F3'—Na1—O4	93.7 (6)
O2—C6—C1	118.2 (4)	O5—Na1—O4	62.07 (11)
C5—C6—C1	117.8 (4)	O2—Na1—O4	126.91 (13)
O3—C7—C5	127.8 (4)	F1—Na1—O1	106.6 (2)
O3—C7—H7	116.1	F4ⁱ—Na1—O1	84.28 (14)
C5—C7—H7	116.1	F3'—Na1—O1	83.9 (6)
O1—C8—H8A	109.5	O5—Na1—O1	126.69 (12)
O1—C8—H8B	109.5	O2—Na1—O1	62.17 (10)
H8A—C8—H8B	109.5	O4—Na1—O1	169.41 (13)
O1—C8—H8C	109.5	F1—Na1—Cu1	116.8 (3)
H8A—C8—H8C	109.5	F4ⁱ—Na1—Cu1	135.96 (13)
H8B—C8—H8C	109.5	F3'—Na1—Cu1	135.7 (4)
O4—C9—C10	126.1 (5)	O5—Na1—Cu1	32.42 (7)
O4—C9—C14	113.6 (4)	O2—Na1—Cu1	32.44 (7)
C10—C9—C14	120.2 (5)	O4—Na1—Cu1	94.48 (10)
C9—C10—C11	121.4 (5)	O1—Na1—Cu1	94.40 (9)
C9—C10—H10	119.3	C1—O1—C8	117.4 (4)
C11—C10—H10	119.3	C1—O1—Na1	118.6 (2)
C12—C11—C10	119.7 (5)	C8—O1—Na1	124.0 (3)
C12—C11—H11	120.1	C6—O2—Cu1	126.6 (3)
C10—C11—H11	120.1	C6—O2—Na1	127.5 (3)
C11—C12—C13	120.9 (5)	Cu1—O2—Na1	105.09 (12)
C11—C12—H12	119.5	C7—O3—Cu1	124.2 (3)
C13—C12—H12	119.5	C9—O4—C16	118.2 (4)
C14—C13—C12	120.1 (5)	C9—O4—Na1	118.6 (3)
C14—C13—C15	121.2 (4)	C16—O4—Na1	122.6 (3)
C12—C13—C15	118.7 (5)	C14—O5—Cu1	127.0 (3)
O5—C14—C9	117.9 (4)	C14—O5—Na1	127.7 (3)
O5—C14—C13	124.6 (4)	Cu1—O5—Na1	105.31 (13)
C9—C14—C13	117.5 (4)	C15—O6—Cu1	124.6 (3)
O6—C15—C13	128.5 (5)

Symmetry codes: (i) x, −y+3/2, z+1/2; (ii) x, −y+3/2, z−1/2.

Experimental details

Crystal data
Chemical formula	[CuNa(BF₄)(C₈H₇O₃)₂]
M_r	475.62
Crystal system, space group	Monoclinic, P2₁/c
Temperature (K)	293
a, b, c (Å)	9.932 (2), 19.349 (4), 9.940 (2)
β (°)	105.16 (3)
V (Å³)	1843.7 (7)
Z	4
Radiation type	Mo Kα
µ (mm⁻¹)	1.28
Crystal size (mm)	0.21 × 0.18 × 0.16

Data collection
Diffractometer	Rigaku R-AXIS RAPID diffractometer
Absorption correction	Multi-scan (ABSCOR; Higashi, 1995)
T_min, T_max	0.779, 0.820
No. of measured, independent and observed [I > 2σ(I)] reflections	17729, 4201, 2278
R_int	0.100
(sin θ/λ)_max (Å⁻¹)	0.649

Refinement
R[F² > 2σ(F²)], wR(F²), S	0.061, 0.143, 1.04
No. of reflections	4201
No. of parameters	292
No. of restraints	30
H-atom treatment	H-atom parameters constrained
Δρ_max, Δρ_min (e Å⁻³)	0.50, −0.34

Computer programs: RAPID-AUTO (Rigaku, 1998), CrystalStructure (Rigaku/MSC, 2002), SHELXS97 (Sheldrick, 2008), SHELXL97 (Sheldrick, 2008), DIAMOND (Brandenburg, 1999), SHELXTL (Sheldrick, 2008).

Selected bond lengths (Å) top

Cu1—O2	1.888 (3)	Na1—O4	2.614 (4)
Cu1—O3	1.929 (3)	Na1—O5	2.370 (3)
Cu1—O5	1.889 (3)	Na1—F1	2.215 (7)
Cu1—O6	1.936 (3)	Na1—F3'	2.344 (17)
Na1—O1	2.615 (3)	Na1—F4ⁱ	2.243 (4)
Na1—O2	2.377 (3)

Symmetry code: (i) x, −y+3/2, z+1/2.

Acknowledgements

The authors gratefully acknowledge financial support from Heilongjiang Province (11551334) and the Students Innovation Programme of Heilongjiang University (CX11073).

References

Brandenburg, K. (1999). DIAMOND. Crystal Impact GbR, Bonn, Germany. Google Scholar
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Rigaku (1998). RAPID-AUTO. Rigaku Corporation, Tokyo, Japan. Google Scholar
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Sheldrick, G. M. (2008). Acta Cryst. A64, 112–122. Web of Science CrossRef CAS IUCr Journals Google Scholar

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