Poly[disodium [diaqua-tri-μ(2)-oxalato-dimagnesium(II)]].

The title compound, {Na(2)[Mg(2)(C(2)O(4))(3)(H(2)O)(2)]}(n), is isotypic with its Co analogue. There are two crystallographically independent oxalate groups in the asymmetric unit, one lying on an inversion center and the other on a general position. Mg(2+) ions are ligated by H(2)O mol-ecules and bridged by tri- and tetra-dentate oxalate ligands, forming ladder-like double chains that are held together via O-H⋯O hydrogen bonds, with Na(+) cations located between the chains to balance the charge.

Related literature

For related literature, see: Audebrand et al. (2003 ▶); Brown & Altermatt (1985 ▶); Dean et al. (2004 ▶); Kolitsch (2004 ▶); Lethbridge et al. (2003 ▶); Lu et al. (2004 ▶); Miessen & Hoppe (1987 ▶); Price et al. (2000 ▶); Schefer & Grube (1995 ▶); Shannon (1976 ▶).

Experimental

Crystal data

Na2[Mg2(C2O4)3(H2O)2]

M = 394.70

Monoclinic,

a = 5.8460 (12) Å

b = 15.726 (3) Å

c = 7.0190 (14) Å

β = 101.11 (3)°

V = 633.2 (2) Å3

Z = 2

Mo Kα radiation

μ = 0.34 mm−1

T = 290 K

0.4 × 0.2 × 0.2 mm

Data collection

Rigaku AFC-7R diffractometer

Absorption correction: ψ scan (Kopfmann & Huber, 1968 ▶) T min = 0.912, T max = 0.943

2457 measured reflections

2280 independent reflections

2027 reflections with I > 2σ(I)

R int = 0.029

3 standard reflections every 150 reflections intensity decay: 1.2%

Refinement

R[F 2 > 2σ(F 2)] = 0.033

wR(F 2) = 0.095

S = 1.11

2280 reflections

118 parameters

All H-atom parameters refined

Δρmax = 0.54 e Å−3

Δρmin = −0.56 e Å−3

Data collection: AFC Diffractometer Control Software (Rigaku, 1994 ▶); cell refinement: AFC Diffractometer Control Software; data reduction: AFC Diffractometer Control Software; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008 ▶); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008 ▶); molecular graphics: ATOMS (Dowty, 1999 ▶); software used to prepare material for publication: SHELXL97.

Crystal structure: contains datablocks global, I. DOI: 10.1107/S1600536808019508/bq2084sup1.cif

Structure factors: contains datablocks I. DOI: 10.1107/S1600536808019508/bq2084Isup2.hkl

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

Na2[Mg2(C2O4)3(H2O)2]	F(000) = 396
Mr = 394.70	Dx = 2.070 Mg m−3
Monoclinic, P21/c	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2ybc	Cell parameters from 25 reflections
a = 5.8460 (12) Å	θ = 21.9–22.5°
b = 15.726 (3) Å	µ = 0.34 mm−1
c = 7.0190 (14) Å	T = 290 K
β = 101.11 (3)°	Prism, colorless
V = 633.2 (2) Å3	0.4 × 0.2 × 0.2 mm
Z = 2

Rigaku AFC-7R diffractometer	2027 reflections with I > 2σ(I)
Radiation source: fine-focus sealed tube	Rint = 0.029
graphite	θmax = 32.5°, θmin = 2.6°
2θ–ω scans	h = 0→8
Absorption correction: ψ scan (Kopfmann & Huber, 1968)	k = 0→23
Tmin = 0.912, Tmax = 0.943	l = −10→10
2457 measured reflections	3 standard reflections every 150 reflections
2280 independent reflections	intensity decay: 1.2%

Refinement on F2	Secondary atom site location: difference Fourier map
Least-squares matrix: full	Hydrogen site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.033	All H-atom parameters refined
wR(F2) = 0.095	w = 1/[σ2(Fo2) + (0.0581P)2 + 0.0731P] where P = (Fo2 + 2Fc2)/3
S = 1.11	(Δ/σ)max = 0.001
2280 reflections	Δρmax = 0.54 e Å−3
118 parameters	Δρmin = −0.56 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: 0.310 (14)

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
Na1	0.46789 (7)	0.81852 (3)	0.30526 (7)	0.01952 (13)
Mg1	0.27308 (6)	0.60144 (2)	0.21580 (5)	0.01297 (12)
C1	0.49584 (17)	0.46394 (6)	0.42523 (14)	0.01492 (18)
O1	0.38596 (15)	0.47765 (5)	0.25634 (11)	0.01885 (17)
O2	0.60143 (15)	0.39673 (5)	0.48571 (11)	0.02059 (18)
C2	0.79984 (15)	0.64930 (6)	0.21459 (13)	0.01346 (18)
O3	0.58217 (13)	0.65770 (5)	0.17720 (13)	0.02067 (17)
O4	0.91349 (13)	0.58130 (5)	0.22737 (12)	0.01867 (17)
C3	0.94672 (16)	0.73184 (6)	0.24642 (14)	0.01425 (18)
O5	1.15751 (12)	0.72335 (5)	0.23254 (12)	0.01735 (17)
O6	0.85117 (14)	0.79871 (5)	0.28409 (15)	0.0255 (2)
O7	0.18307 (14)	0.58554 (5)	−0.08136 (12)	0.01742 (16)
H7A	0.174 (4)	0.5388 (16)	−0.124 (4)	0.058 (7)*
H7B	0.065 (5)	0.6120 (18)	−0.141 (4)	0.077 (9)*

	U11	U22	U33	U12	U13	U23
Na1	0.0152 (2)	0.0208 (2)	0.0230 (2)	−0.00005 (15)	0.00461 (16)	0.00233 (16)
Mg1	0.01111 (17)	0.01020 (17)	0.01744 (18)	0.00096 (10)	0.00233 (12)	0.00035 (10)
C1	0.0171 (4)	0.0111 (4)	0.0166 (4)	0.0015 (3)	0.0031 (3)	−0.0012 (3)
O1	0.0258 (4)	0.0130 (3)	0.0161 (3)	0.0031 (3)	−0.0001 (3)	−0.0011 (2)
O2	0.0289 (4)	0.0134 (3)	0.0179 (3)	0.0080 (3)	0.0005 (3)	−0.0014 (2)
C2	0.0104 (4)	0.0140 (4)	0.0165 (4)	−0.0015 (3)	0.0039 (3)	−0.0008 (3)
O3	0.0100 (3)	0.0223 (4)	0.0300 (4)	−0.0018 (3)	0.0045 (3)	0.0009 (3)
O4	0.0147 (3)	0.0120 (3)	0.0297 (4)	−0.0007 (2)	0.0054 (3)	−0.0008 (3)
C3	0.0105 (4)	0.0120 (4)	0.0200 (4)	0.0002 (3)	0.0022 (3)	−0.0009 (3)
O5	0.0102 (3)	0.0113 (3)	0.0310 (4)	0.0000 (2)	0.0051 (3)	−0.0008 (3)
O6	0.0150 (3)	0.0144 (3)	0.0470 (5)	0.0026 (3)	0.0062 (3)	−0.0083 (3)
O7	0.0176 (3)	0.0148 (3)	0.0191 (3)	0.0019 (3)	0.0017 (3)	−0.0011 (2)

Na1—O6	2.2952 (10)	Mg1—O4i	2.1429 (9)
Na1—O5i	2.3315 (9)	C1—O1	1.2533 (12)
Na1—O2ii	2.3514 (10)	C1—O2	1.2559 (11)
Na1—O7iii	2.4886 (10)	C1—C1iv	1.5399 (19)
Na1—O3iii	2.5941 (12)	C2—O4	1.2531 (12)
Na1—O1ii	2.7059 (10)	C2—O3	1.2557 (11)
Na1—O3	2.8074 (10)	C2—C3	1.5485 (13)
Mg1—O5i	2.0436 (9)	C3—O6	1.2428 (12)
Mg1—O1	2.058 (1)	C3—O5	1.2618 (11)
Mg1—O7	2.0656 (10)	O7—H7A	0.79 (3)
Mg1—O3	2.0761 (9)	O7—H7B	0.85 (3)
Mg1—O2iv	2.0823 (10)
O6—Na1—O5i	128.83 (4)	O5i—Mg1—O2iv	89.17 (3)
O6—Na1—O2ii	91.25 (4)	O1—Mg1—O2iv	80.36 (3)
O5i—Na1—O2ii	98.57 (4)	O7—Mg1—O2iv	171.66 (3)
O6—Na1—O7iii	145.56 (3)	O3—Mg1—O2iv	88.78 (5)
O5i—Na1—O7iii	85.34 (3)	O5i—Mg1—O4i	78.40 (3)
O2ii—Na1—O7iii	86.94 (4)	O1—Mg1—O4i	98.38 (4)
O6—Na1—O3iii	91.11 (4)	O7—Mg1—O4i	87.68 (5)
O5i—Na1—O3iii	110.58 (4)	O3—Mg1—O4i	162.33 (4)
O2ii—Na1—O3iii	140.04 (3)	O2iv—Mg1—O4i	97.00 (5)
O7iii—Na1—O3iii	69.46 (3)	O1—C1—O2	126.40 (9)
O6—Na1—O1ii	76.88 (3)	O1—C1—C1iv	117.46 (10)
O5i—Na1—O1ii	144.59 (3)	O2—C1—C1iv	116.14 (11)
O2ii—Na1—O1ii	52.00 (3)	C1—O1—Mg1	112.70 (6)
O7iii—Na1—O1ii	75.03 (3)	C1—O2—Mg1iv	112.55 (6)
O3iii—Na1—O1ii	89.97 (3)	O4—C2—O3	127.35 (9)
O6—Na1—O3	63.99 (3)	O4—C2—C3	115.69 (8)
O5i—Na1—O3	64.84 (3)	O3—C2—C3	116.96 (8)
O2ii—Na1—O3	101.83 (3)	C2—O3—Mg1	143.16 (7)
O7iii—Na1—O3	149.74 (3)	C2—O4—Mg1v	112.43 (6)
O3iii—Na1—O3	114.90 (3)	O6—C3—O5	126.27 (9)
O1ii—Na1—O3	132.84 (3)	O6—C3—C2	118.71 (8)
O5i—Mg1—O1	168.63 (4)	O5—C3—C2	115.01 (8)
O5i—Mg1—O7	98.56 (4)	C3—O5—Mg1v	116.25 (6)
O1—Mg1—O7	92.16 (3)	Mg1—O7—H7A	118.6 (19)
O5i—Mg1—O3	85.03 (3)	Mg1—O7—H7B	117.6 (19)
O1—Mg1—O3	99.05 (4)	H7A—O7—H7B	106 (2)
O7—Mg1—O3	88.77 (4)

D—H···A	D—H	H···A	D···A	D—H···A
O7—H7a···O4vi	0.78 (3)	2.06 (3)	2.8335 (13)	170 (2)
O7—H7b···O6vii	0.84 (3)	1.89 (3)	2.6952 (13)	162 (3)

Table 1

Hydrogen-bond geometry (Å, °)

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
O7—H7a⋯O4i	0.78 (3)	2.06 (3)	2.8335 (13)	170 (2)
O7—H7b⋯O6ii	0.84 (3)	1.89 (3)	2.6952 (13)	162 (3)

Symmetry codes: (i) ; (ii) .