catena-Poly[[bis-(μ-2-formyl-6-meth-oxy-phenolato)copper(II)sodium]-μ-nitrato].

In the title heterodinuclear complex, [CuNa(C(8)H(7)O(3))(2)(NO(3))](n), the Cu(II) ion is five-coordinated in a square-pyramidal arrangement by four atoms of two different ligand molecules in equatorial positions and one remote nitrate O atom in the apical position. The Na(+) ion is eight-coordinated by four ligand O atoms and four nitrate O atoms. The ligand links the Cu(II) and Na ions, forming a layered arrangement extending parallel to (001).

Related literature

For similar nickel–sodium complexes, see Costes et al. (1997a ▶,b ▶).

Experimental

Crystal data

[CuNa(C8H7O3)2(NO3)]

M = 450.81

Orthorhombic,

a = 7.737 (2) Å

b = 13.165 (4) Å

c = 16.889 (6) Å

V = 1720.2 (9) Å3

Z = 4

Mo Kα radiation

μ = 1.35 mm−1

T = 293 K

0.35 × 0.33 × 0.30 mm

Data collection

Rigaku R-AXIS RAPID diffractometer

Absorption correction: multi-scan (ABSCOR; Higashi, 1995 ▶) T min = 0.648, T max = 0.691

16868 measured reflections

3926 independent reflections

3692 reflections with I > 2σ(I)

R int = 0.025

Refinement

R[F 2 > 2σ(F 2)] = 0.021

wR(F 2) = 0.057

S = 1.03

3926 reflections

255 parameters

H-atom parameters constrained

Δρmax = 0.22 e Å−3

Δρmin = −0.21 e Å−3

Absolute structure: Flack (1983 ▶), 1671 Friedel pairs

Flack parameter: 0.007 (8)

Data collection: RAPID-AUTO (Rigaku, 1998 ▶); cell refinement: RAPID-AUTO; data reduction: CrystalClear (Rigaku/MSC, 2002 ▶); 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: SHELXL97 .

Crystal structure: contains datablock(s) global, I. DOI: 10.1107/S1600536811040025/ng5236sup1.cif

Structure factors: contains datablock(s) I. DOI: 10.1107/S1600536811040025/ng5236Isup2.hkl

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

[CuNa(C8H7O3)2(NO3)]	F(000) = 916
Mr = 450.81	Dx = 1.741 Mg m−3
Orthorhombic, P212121	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: P 2ac 2ab	Cell parameters from 15663 reflections
a = 7.737 (2) Å	θ = 3.1–27.5°
b = 13.165 (4) Å	µ = 1.35 mm−1
c = 16.889 (6) Å	T = 293 K
V = 1720.2 (9) Å3	Block, brown
Z = 4	0.35 × 0.33 × 0.30 mm

Rigaku R-AXIS RAPID diffractometer	3926 independent reflections
Radiation source: fine-focus sealed tube	3692 reflections with I > 2σ(I)
graphite	Rint = 0.025
ω scans	θmax = 27.5°, θmin = 3.1°
Absorption correction: multi-scan (ABSCOR; Higashi, 1995)	h = −9→10
Tmin = 0.648, Tmax = 0.691	k = −17→16
16868 measured reflections	l = −21→21

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)] = 0.021	H-atom parameters constrained
wR(F2) = 0.057	w = 1/[σ2(Fo2) + (0.0375P)2] where P = (Fo2 + 2Fc2)/3
S = 1.03	(Δ/σ)max = 0.001
3926 reflections	Δρmax = 0.22 e Å−3
255 parameters	Δρmin = −0.21 e Å−3
0 restraints	Absolute structure: Flack (1983), 1671 Friedel pairs
Primary atom site location: structure-invariant direct methods	Flack parameter: 0.007 (8)

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
C1	0.0679 (2)	0.92359 (12)	0.67688 (10)	0.0321 (3)
C2	0.0859 (2)	1.02319 (13)	0.70061 (11)	0.0375 (4)
H2	0.0378	1.0749	0.6703	0.045*
C3	0.1765 (2)	1.04734 (13)	0.77039 (12)	0.0411 (4)
H3	0.1895	1.1148	0.7856	0.049*
C4	0.2450 (3)	0.97166 (13)	0.81555 (10)	0.0406 (4)
H4	0.3025	0.9878	0.8622	0.049*
C5	0.2298 (2)	0.86831 (12)	0.79230 (10)	0.0331 (3)
C6	0.14000 (19)	0.84231 (11)	0.72185 (10)	0.0293 (3)
C7	0.3021 (2)	0.79245 (15)	0.84132 (11)	0.0401 (4)
H7	0.3452	0.8149	0.8897	0.048*
C8	−0.0953 (3)	0.96653 (15)	0.56154 (13)	0.0484 (5)
H8A	−0.1781	1.0034	0.5926	0.073*
H8B	−0.1529	0.9341	0.5180	0.073*
H8C	−0.0095	1.0126	0.5416	0.073*
C9	0.0758 (2)	0.44760 (12)	0.54819 (9)	0.0309 (3)
C10	0.0625 (3)	0.34687 (13)	0.52792 (12)	0.0421 (4)
H10	0.0032	0.3281	0.4823	0.051*
C11	0.1387 (3)	0.27166 (13)	0.57635 (13)	0.0495 (5)
H11	0.1292	0.2036	0.5622	0.059*
C12	0.2248 (3)	0.29714 (13)	0.64274 (12)	0.0446 (5)
H12	0.2738	0.2466	0.6740	0.054*
C13	0.2416 (3)	0.40139 (11)	0.66559 (10)	0.0337 (3)
C14	0.1682 (2)	0.47851 (12)	0.61750 (9)	0.0287 (3)
C15	0.3276 (2)	0.42379 (13)	0.73717 (11)	0.0379 (4)
H15	0.3728	0.3688	0.7648	0.046*
C16	−0.0964 (3)	0.50378 (17)	0.43943 (13)	0.0513 (5)
H16A	−0.0241	0.4728	0.4000	0.077*
H16B	−0.1458	0.5650	0.4185	0.077*
H16C	−0.1872	0.4577	0.4538	0.077*
Cu1	0.25742 (3)	0.636953 (13)	0.726538 (11)	0.03049 (6)
N1	0.5362 (2)	0.72115 (11)	0.60308 (10)	0.0391 (3)
Na1	0.03464 (14)	0.71081 (6)	0.56511 (5)	0.0556 (2)
O1	−0.01427 (18)	0.89168 (9)	0.60950 (8)	0.0423 (3)
O2	0.11760 (15)	0.74989 (9)	0.69651 (7)	0.0349 (3)
O3	0.31612 (18)	0.69909 (10)	0.82857 (8)	0.0433 (3)
O4	0.00468 (16)	0.52733 (9)	0.50775 (7)	0.0367 (3)
O5	0.17851 (16)	0.57479 (8)	0.63174 (7)	0.0330 (2)
O6	0.34982 (16)	0.50983 (9)	0.76779 (8)	0.0386 (3)
O7	0.51745 (17)	0.70304 (11)	0.67537 (8)	0.0449 (3)
O8	0.4100 (2)	0.74389 (12)	0.56117 (8)	0.0547 (4)
O9	0.6790 (2)	0.7162 (2)	0.57232 (13)	0.0937 (7)

	U11	U22	U33	U12	U13	U23
C1	0.0297 (8)	0.0350 (8)	0.0315 (8)	0.0009 (7)	0.0035 (7)	−0.0002 (7)
C2	0.0381 (9)	0.0324 (8)	0.0421 (10)	0.0028 (7)	0.0080 (7)	0.0033 (7)
C3	0.0414 (9)	0.0336 (8)	0.0482 (10)	−0.0039 (7)	0.0074 (9)	−0.0076 (8)
C4	0.0388 (9)	0.0458 (9)	0.0373 (8)	−0.0037 (10)	0.0026 (9)	−0.0099 (7)
C5	0.0318 (8)	0.0379 (8)	0.0296 (7)	0.0008 (8)	0.0032 (6)	−0.0020 (6)
C6	0.0266 (7)	0.0320 (7)	0.0294 (7)	0.0012 (6)	0.0037 (6)	−0.0007 (6)
C7	0.0437 (10)	0.0507 (9)	0.0258 (8)	0.0024 (8)	−0.0044 (7)	−0.0043 (7)
C8	0.0524 (12)	0.0468 (10)	0.0461 (11)	0.0120 (10)	−0.0117 (9)	0.0078 (9)
C9	0.0315 (8)	0.0313 (7)	0.0299 (8)	0.0006 (7)	0.0048 (7)	0.0017 (6)
C10	0.0514 (10)	0.0351 (8)	0.0399 (9)	−0.0018 (8)	0.0041 (8)	−0.0086 (8)
C11	0.0703 (14)	0.0269 (7)	0.0513 (12)	0.0020 (9)	0.0068 (11)	−0.0041 (8)
C12	0.0541 (12)	0.0288 (7)	0.0508 (10)	0.0105 (9)	0.0092 (10)	0.0069 (7)
C13	0.0352 (8)	0.0291 (6)	0.0367 (8)	0.0024 (8)	0.0045 (8)	0.0056 (6)
C14	0.0289 (7)	0.0278 (7)	0.0293 (8)	0.0006 (6)	0.0053 (6)	0.0029 (6)
C15	0.0399 (9)	0.0345 (8)	0.0394 (10)	0.0085 (8)	0.0024 (8)	0.0116 (7)
C16	0.0540 (12)	0.0548 (11)	0.0453 (11)	−0.0040 (10)	−0.0180 (10)	−0.0021 (9)
Cu1	0.03520 (10)	0.02981 (9)	0.02645 (10)	0.00292 (9)	−0.00451 (9)	0.00259 (7)
N1	0.0461 (9)	0.0354 (7)	0.0357 (8)	−0.0090 (7)	0.0044 (7)	0.0047 (6)
Na1	0.0954 (7)	0.0374 (4)	0.0340 (4)	0.0132 (4)	−0.0188 (4)	0.0012 (3)
O1	0.0518 (7)	0.0344 (6)	0.0407 (7)	0.0082 (6)	−0.0130 (6)	0.0016 (5)
O2	0.0404 (6)	0.0302 (5)	0.0340 (6)	0.0051 (5)	−0.0081 (5)	−0.0019 (5)
O3	0.0581 (8)	0.0437 (6)	0.0282 (6)	0.0092 (6)	−0.0082 (6)	0.0006 (5)
O4	0.0423 (7)	0.0344 (6)	0.0334 (6)	0.0006 (6)	−0.0082 (5)	0.0009 (5)
O5	0.0434 (6)	0.0244 (5)	0.0312 (6)	−0.0007 (5)	−0.0066 (5)	0.0042 (4)
O6	0.0415 (6)	0.0402 (6)	0.0343 (6)	0.0054 (5)	−0.0075 (6)	0.0078 (5)
O7	0.0448 (7)	0.0593 (8)	0.0305 (6)	−0.0087 (6)	−0.0033 (6)	0.0084 (6)
O8	0.0627 (9)	0.0642 (9)	0.0373 (8)	−0.0019 (8)	−0.0063 (7)	0.0162 (7)
O9	0.0520 (10)	0.158 (2)	0.0716 (13)	−0.0040 (12)	0.0224 (9)	0.0250 (14)

C1—O1	1.370 (2)	C14—O5	1.2925 (19)
C1—C2	1.378 (2)	C15—O6	1.257 (2)
C1—C6	1.426 (2)	C15—H15	0.9300
C2—C3	1.407 (3)	C16—O4	1.428 (2)
C2—H2	0.9300	C16—H16A	0.9600
C3—C4	1.362 (3)	C16—H16B	0.9600
C3—H3	0.9300	C16—H16C	0.9600
C4—C5	1.421 (2)	Cu1—O5	1.8989 (12)
C4—H4	0.9300	Cu1—O2	1.9074 (12)
C5—C7	1.413 (2)	Cu1—O6	1.9487 (12)
C5—C6	1.420 (2)	Cu1—O3	1.9608 (14)
C6—O2	1.3013 (19)	Cu1—O7	2.3560 (14)
C7—O3	1.252 (2)	Cu1—Na1	3.3688 (11)
C7—H7	0.9300	N1—O9	1.223 (2)
C8—O1	1.421 (2)	N1—O8	1.243 (2)
C8—H8A	0.9600	N1—O7	1.252 (2)
C8—H8B	0.9600	N1—Na1i	2.978 (2)
C8—H8C	0.9600	Na1—O2	2.3667 (16)
C9—O4	1.368 (2)	Na1—O5	2.3900 (14)
C9—C10	1.373 (2)	Na1—O8ii	2.4154 (17)
C9—C14	1.431 (2)	Na1—O1	2.5249 (15)
C10—C11	1.413 (3)	Na1—O4	2.6129 (16)
C10—H10	0.9300	Na1—O9ii	2.749 (2)
C11—C12	1.347 (3)	Na1—O9iii	2.755 (2)
C11—H11	0.9300	Na1—O8	2.937 (2)
C12—C13	1.431 (2)	Na1—N1ii	2.978 (2)
C12—H12	0.9300	O8—Na1i	2.4154 (17)
C13—C15	1.411 (3)	O9—Na1i	2.749 (2)
C13—C14	1.419 (2)	O9—Na1iv	2.755 (2)
O1—C1—C2	125.48 (15)	O8—N1—O7	120.68 (16)
O1—C1—C6	113.20 (14)	O9—N1—Na1i	67.31 (13)
C2—C1—C6	121.31 (16)	O8—N1—Na1i	51.77 (9)
C1—C2—C3	120.59 (16)	O7—N1—Na1i	170.58 (13)
C1—C2—H2	119.7	O2—Na1—O5	66.12 (4)
C3—C2—H2	119.7	O2—Na1—O8ii	151.95 (6)
C4—C3—C2	119.82 (16)	O5—Na1—O8ii	141.87 (6)
C4—C3—H3	120.1	O2—Na1—O1	63.72 (4)
C2—C3—H3	120.1	O5—Na1—O1	129.54 (5)
C3—C4—C5	120.89 (17)	O8ii—Na1—O1	88.25 (6)
C3—C4—H4	119.6	O2—Na1—O4	124.94 (5)
C5—C4—H4	119.6	O5—Na1—O4	61.52 (4)
C7—C5—C6	120.96 (15)	O8ii—Na1—O4	82.27 (5)
C7—C5—C4	118.82 (16)	O1—Na1—O4	165.61 (6)
C6—C5—C4	120.21 (15)	O2—Na1—O9ii	127.27 (7)
O2—C6—C5	124.49 (14)	O5—Na1—O9ii	118.04 (7)
O2—C6—C1	118.32 (15)	O8ii—Na1—O9ii	47.97 (5)
C5—C6—C1	117.18 (14)	O1—Na1—O9ii	88.98 (7)
O3—C7—C5	128.84 (17)	O4—Na1—O9ii	92.63 (7)
O3—C7—H7	115.6	O2—Na1—O9iii	102.93 (7)
C5—C7—H7	115.6	O5—Na1—O9iii	117.63 (7)
O1—C8—H8A	109.5	O8ii—Na1—O9iii	68.52 (6)
O1—C8—H8B	109.5	O1—Na1—O9iii	79.21 (7)
H8A—C8—H8B	109.5	O4—Na1—O9iii	87.24 (7)
O1—C8—H8C	109.5	O9ii—Na1—O9iii	115.72 (6)
H8A—C8—H8C	109.5	O2—Na1—O8	73.79 (5)
H8B—C8—H8C	109.5	O5—Na1—O8	70.20 (5)
O4—C9—C10	125.88 (16)	O8ii—Na1—O8	109.77 (5)
O4—C9—C14	113.03 (14)	O1—Na1—O8	90.86 (5)
C10—C9—C14	121.08 (16)	O4—Na1—O8	102.50 (6)
C9—C10—C11	120.06 (18)	O9ii—Na1—O8	61.80 (5)
C9—C10—H10	120.0	O9iii—Na1—O8	169.91 (7)
C11—C10—H10	120.0	O2—Na1—N1ii	145.87 (6)
C12—C11—C10	120.92 (16)	O5—Na1—N1ii	132.26 (6)
C12—C11—H11	119.5	O8ii—Na1—N1ii	23.83 (5)
C10—C11—H11	119.5	O1—Na1—N1ii	90.01 (5)
C11—C12—C13	120.54 (17)	O4—Na1—N1ii	85.69 (5)
C11—C12—H12	119.7	O9ii—Na1—N1ii	24.23 (5)
C13—C12—H12	119.7	O9iii—Na1—N1ii	92.20 (6)
C15—C13—C14	121.97 (15)	O8—Na1—N1ii	85.98 (5)
C15—C13—C12	118.31 (16)	O2—Na1—Cu1	33.40 (3)
C14—C13—C12	119.70 (16)	O5—Na1—Cu1	33.32 (3)
O5—C14—C13	124.79 (15)	O8ii—Na1—Cu1	171.94 (5)
O5—C14—C9	117.52 (14)	O1—Na1—Cu1	96.23 (4)
C13—C14—C9	117.69 (15)	O4—Na1—Cu1	94.51 (4)
O6—C15—C13	127.26 (15)	O9ii—Na1—Cu1	125.19 (5)
O6—C15—H15	116.4	O9iii—Na1—Cu1	118.86 (6)
C13—C15—H15	116.4	O8—Na1—Cu1	63.60 (3)
O4—C16—H16A	109.5	N1ii—Na1—Cu1	148.94 (5)
O4—C16—H16B	109.5	C1—O1—C8	117.75 (14)
H16A—C16—H16B	109.5	C1—O1—Na1	117.80 (10)
O4—C16—H16C	109.5	C8—O1—Na1	123.41 (12)
H16A—C16—H16C	109.5	C6—O2—Cu1	124.46 (10)
H16B—C16—H16C	109.5	C6—O2—Na1	123.21 (11)
O5—Cu1—O2	85.95 (5)	Cu1—O2—Na1	103.51 (5)
O5—Cu1—O6	92.82 (5)	C7—O3—Cu1	122.72 (12)
O2—Cu1—O6	166.56 (5)	C9—O4—C16	117.21 (14)
O5—Cu1—O3	174.40 (6)	C9—O4—Na1	119.25 (10)
O2—Cu1—O3	92.28 (5)	C16—O4—Na1	123.29 (11)
O6—Cu1—O3	87.66 (6)	C14—O5—Cu1	126.82 (10)
O5—Cu1—O7	97.15 (5)	C14—O5—Na1	128.20 (11)
O2—Cu1—O7	95.67 (5)	Cu1—O5—Na1	102.93 (5)
O6—Cu1—O7	97.76 (5)	C15—O6—Cu1	125.21 (11)
O3—Cu1—O7	88.31 (6)	N1—O7—Cu1	121.78 (11)
O5—Cu1—Na1	43.75 (4)	N1—O8—Na1i	104.40 (12)
O2—Cu1—Na1	43.08 (4)	N1—O8—Na1	136.74 (11)
O6—Cu1—Na1	136.46 (4)	Na1i—O8—Na1	116.83 (6)
O3—Cu1—Na1	135.18 (4)	N1—O9—Na1i	88.46 (14)
O7—Cu1—Na1	91.92 (4)	N1—O9—Na1iv	157.32 (17)
O9—N1—O8	118.74 (18)	Na1i—O9—Na1iv	112.18 (7)
O9—N1—O7	120.58 (18)

Table 1

Selected bond lengths (Å)

Cu1—O5	1.8989 (12)
Cu1—O2	1.9074 (12)
Cu1—O6	1.9487 (12)
Cu1—O3	1.9608 (14)
Cu1—O7	2.3560 (14)
Na1—O2	2.3667 (16)
Na1—O5	2.3900 (14)
Na1—O8i	2.4154 (17)
Na1—O1	2.5249 (15)
Na1—O4	2.6129 (16)
Na1—O9i	2.749 (2)
Na1—O9ii	2.755 (2)
Na1—O8	2.937 (2)

Symmetry codes: (i) ; (ii) .