Poly[(μ(6)-benzene-1,3,5-tricarboxyl-ato-κO:O:O:O:O:O)tris-(N,N-dimethyl-formamide-κO)tris-(μ(3)-formato-κO:O')trimagnesium(II)].

The title complex, [Mg(3)(CHO(2))(3)(C(9)H(3)O(6))(C(3)H(7)NO)(3)](n), exhib-its a two-dimensional structure parallel to (001), which is built up from the Mg(II) atoms and bridging carboxyl-ate ligands (3 symmetry). The Mg(II) atom is six-coordinated by one O atom from a dimethyl-formamide mol-ecule, two O atoms from two μ(6)-benzene-1,3,5-tricarboxyl-ate ligands and three O atoms from three μ(3)-formate ligands in a distorted octa-hedral geometry.

Related literature

For general background to the synthesis and structures of coordination polymers, see: Kitagawa et al. (2004 ▶); Liu et al. (2009 ▶). For an isotypic structure, see: He et al. (2006 ▶).

Experimental

Crystal data

[Mg3(CHO2)3(C9H3O6)(C3H7NO)3]

M = 211.46

Trigonal,

a = 13.9739 (2) Å

c = 8.1188 (1) Å

V = 1372.96 (3) Å3

Z = 6

Mo Kα radiation

μ = 0.19 mm−1

T = 295 K

0.25 × 0.25 × 0.15 mm

Data collection

Bruker APEXII CCD diffractometer

Absorption correction: multi-scan (SADABS; Bruker, 2001 ▶) T min = 0.954, T max = 0.972

12089 measured reflections

2278 independent reflections

2212 reflections with I > 2σ(I)

R int = 0.032

Refinement

R[F 2 > 2σ(F 2)] = 0.078

wR(F 2) = 0.214

S = 1.40

2278 reflections

129 parameters

H-atom parameters constrained

Δρmax = 0.47 e Å−3

Δρmin = −0.35 e Å−3

Data collection: APEX2 (Bruker, 2007 ▶); cell refinement: SAINT (Bruker, 2007 ▶); 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 ▶) and DIAMOND (Brandenburg, 1999 ▶); software used to prepare material for publication: SHELXTL.

Crystal structure: contains datablocks I, global. DOI: 10.1107/S1600536810035907/hy2348sup1.cif

Structure factors: contains datablocks I. DOI: 10.1107/S1600536810035907/hy2348Isup2.hkl

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

[Mg3(CHO2)3(C9H3O6)(C3H7NO)3]	Dx = 1.535 Mg m−3
Mr = 211.46	Mo Kα radiation, λ = 0.71073 Å
Trigonal, P3	Cell parameters from 9292 reflections
Hall symbol: -P 3	θ = 2.9–28.3°
a = 13.9739 (2) Å	µ = 0.19 mm−1
c = 8.1188 (1) Å	T = 295 K
V = 1372.96 (3) Å3	Columnar, colorless
Z = 6	0.25 × 0.25 × 0.15 mm
F(000) = 660

Bruker APEXII CCD diffractometer	2278 independent reflections
Radiation source: fine-focus sealed tube	2212 reflections with I > 2σ(I)
graphite	Rint = 0.032
Detector resolution: 8.3333 pixels mm-1	θmax = 28.3°, θmin = 1.7°
φ and ω scans	h = −18→17
Absorption correction: multi-scan (SADABS; Bruker, 2001)	k = −17→18
Tmin = 0.954, Tmax = 0.972	l = −10→10
12089 measured reflections

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)] = 0.078	Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.214	H-atom parameters constrained
S = 1.40	w = 1/[σ2(Fo2) + (0.0309P)2 + 6.185P] where P = (Fo2 + 2Fc2)/3
2278 reflections	(Δ/σ)max < 0.001
129 parameters	Δρmax = 0.47 e Å−3
0 restraints	Δρmin = −0.35 e Å−3

	x	y	z	Uiso*/Ueq
Mg1	0.77826 (11)	0.01439 (11)	0.39889 (18)	0.0184 (3)
O1	0.7487 (3)	0.1240 (2)	0.5146 (4)	0.0261 (7)
O2	0.9488 (2)	0.1369 (2)	0.3855 (4)	0.0220 (6)
O3	0.6145 (2)	−0.1017 (2)	0.4220 (4)	0.0256 (7)
O1S	0.7459 (3)	0.0733 (3)	0.1779 (4)	0.0327 (8)
C2	0.7301 (3)	0.2815 (3)	0.5313 (5)	0.0181 (8)
C3	0.6154 (3)	0.2191 (3)	0.5310 (5)	0.0188 (8)
H3	0.5809	0.1423	0.5307	0.023*
C4	1.0034 (3)	0.1485 (3)	0.2561 (5)	0.0223 (8)
H4A	0.9631	0.1231	0.1590	0.027*
C1	0.7986 (3)	0.2259 (3)	0.5408 (5)	0.0190 (8)
N1S	0.6441 (4)	0.0408 (4)	−0.0535 (5)	0.0363 (10)
C1S	0.6876 (4)	0.0111 (4)	0.0655 (6)	0.0328 (10)
H1S	0.6738	−0.0612	0.0656	0.039*
C2S	0.5833 (5)	−0.0326 (6)	−0.1892 (7)	0.0506 (16)
H2S1	0.5853	−0.1000	−0.1790	0.076*
H2S2	0.6165	0.0025	−0.2918	0.076*
H2S3	0.5079	−0.0488	−0.1864	0.076*
C3S	0.6642 (6)	0.1535 (6)	−0.0614 (8)	0.0498 (15)
H3S1	0.6850	0.1869	0.0456	0.075*
H3S2	0.5982	0.1525	−0.0968	0.075*
H3S3	0.7227	0.1954	−0.1383	0.075*
O4	1.1048 (3)	0.1900 (3)	0.2443 (4)	0.0261 (7)

	U11	U22	U33	U12	U13	U23
Mg1	0.0125 (6)	0.0126 (6)	0.0301 (7)	0.0064 (5)	0.0002 (5)	0.0000 (5)
O1	0.0203 (14)	0.0149 (14)	0.0459 (19)	0.0108 (12)	0.0012 (13)	−0.0037 (13)
O2	0.0148 (13)	0.0184 (14)	0.0301 (16)	0.0063 (11)	0.0005 (11)	−0.0004 (11)
O3	0.0123 (13)	0.0136 (13)	0.0477 (19)	0.0041 (11)	0.0005 (12)	0.0017 (13)
O1S	0.0328 (18)	0.0305 (17)	0.0361 (18)	0.0169 (15)	−0.0057 (14)	0.0031 (14)
C2	0.0127 (17)	0.0148 (17)	0.029 (2)	0.0085 (14)	−0.0008 (14)	−0.0002 (14)
C3	0.0139 (17)	0.0114 (16)	0.030 (2)	0.0056 (14)	−0.0003 (14)	−0.0002 (14)
C4	0.0185 (19)	0.0194 (19)	0.027 (2)	0.0081 (16)	−0.0016 (15)	0.0009 (15)
C1	0.0179 (18)	0.0160 (17)	0.027 (2)	0.0112 (15)	0.0021 (15)	−0.0001 (15)
N1S	0.033 (2)	0.044 (3)	0.032 (2)	0.019 (2)	−0.0002 (17)	0.0045 (19)
C1S	0.028 (2)	0.033 (2)	0.039 (3)	0.016 (2)	0.003 (2)	0.006 (2)
C2S	0.039 (3)	0.067 (4)	0.034 (3)	0.018 (3)	−0.001 (2)	−0.001 (3)
C3S	0.064 (4)	0.054 (4)	0.044 (3)	0.039 (3)	−0.005 (3)	0.010 (3)
O4	0.0182 (14)	0.0281 (16)	0.0316 (17)	0.0112 (13)	0.0011 (12)	0.0005 (13)

Mg1—O1	2.008 (3)	C3—H3	0.9300
Mg1—O2	2.132 (3)	C4—O4	1.238 (5)
Mg1—O2i	2.135 (3)	C4—H4A	0.9300
Mg1—O3	2.047 (3)	C1—O3v	1.248 (5)
Mg1—O4ii	2.080 (3)	N1S—C1S	1.314 (6)
Mg1—O1S	2.115 (4)	N1S—C3S	1.456 (8)
O1—C1	1.251 (5)	N1S—C2S	1.455 (7)
O2—C4	1.260 (5)	C1S—H1S	0.9300
O3—C1i	1.248 (5)	C2S—H2S1	0.9600
O1S—C1S	1.243 (6)	C2S—H2S2	0.9600
C2—C3	1.390 (5)	C2S—H2S3	0.9600
C2—C3iii	1.392 (5)	C3S—H3S1	0.9600
C2—C1	1.507 (5)	C3S—H3S2	0.9600
C3—C2iv	1.392 (5)	C3S—H3S3	0.9600
O1—Mg1—O3	89.26 (13)	C1S—O1S—Mg1	122.9 (3)
O1—Mg1—O4ii	170.66 (15)	C3—C2—C3iii	119.2 (4)
O3—Mg1—O4ii	93.03 (14)	C3—C2—C1	120.4 (4)
O1—Mg1—O1S	86.23 (15)	C3iii—C2—C1	120.3 (3)
O3—Mg1—O1S	90.84 (15)	C2—C3—C2iv	120.8 (4)
O4ii—Mg1—O1S	84.69 (14)	C2—C3—H3	119.6
O1—Mg1—O2	89.14 (13)	C2iv—C3—H3	119.6
O3—Mg1—O2	177.59 (15)	O4—C4—O2	127.0 (4)
O4ii—Mg1—O2	88.83 (13)	O4—C4—H4A	116.5
O1S—Mg1—O2	90.85 (14)	O2—C4—H4A	116.5
O1—Mg1—O2i	96.73 (14)	O3v—C1—O1	125.8 (4)
O3—Mg1—O2i	89.05 (13)	O3v—C1—C2	118.0 (3)
O4ii—Mg1—O2i	92.36 (13)	O1—C1—C2	116.2 (4)
O1S—Mg1—O2i	177.04 (15)	C1S—N1S—C3S	120.3 (5)
O2—Mg1—O2i	89.35 (15)	C1S—N1S—C2S	122.2 (5)
O1—Mg1—Mg1i	123.18 (13)	C3S—N1S—C2S	117.3 (5)
O3—Mg1—Mg1i	72.76 (10)	O1S—C1S—N1S	124.4 (5)
O4ii—Mg1—Mg1i	66.10 (9)	O1S—C1S—H1S	117.8
O1S—Mg1—Mg1i	144.98 (12)	N1S—C1S—H1S	117.8
O2—Mg1—Mg1i	106.68 (9)	N1S—C2S—H2S1	109.5
O2i—Mg1—Mg1i	32.42 (8)	N1S—C2S—H2S2	109.5
O1—Mg1—Mg1v	65.14 (11)	H2S1—C2S—H2S2	109.5
O3—Mg1—Mg1v	145.14 (13)	N1S—C2S—H2S3	109.5
O4ii—Mg1—Mg1v	116.15 (10)	H2S1—C2S—H2S3	109.5
O1S—Mg1—Mg1v	109.51 (11)	H2S2—C2S—H2S3	109.5
O2—Mg1—Mg1v	32.48 (8)	N1S—C3S—H3S1	109.5
O2i—Mg1—Mg1v	72.03 (9)	N1S—C3S—H3S2	109.5
Mg1i—Mg1—Mg1v	100.84 (5)	H3S1—C3S—H3S2	109.5
C1—O1—Mg1	137.5 (3)	N1S—C3S—H3S3	109.5
C4—O2—Mg1	120.5 (3)	H3S1—C3S—H3S3	109.5
C4—O2—Mg1v	124.4 (3)	H3S2—C3S—H3S3	109.5
Mg1—O2—Mg1v	115.10 (14)	C4—O4—Mg1vi	137.3 (3)
C1i—O3—Mg1	128.3 (3)

Table 1

Selected bond lengths (Å)

Mg1—O1	2.008 (3)
Mg1—O2	2.132 (3)
Mg1—O2i	2.135 (3)
Mg1—O3	2.047 (3)
Mg1—O4ii	2.080 (3)
Mg1—O1S	2.115 (4)

Symmetry codes: (i) ; (ii) .