Hexaaqua­magnesium(II) bis­{5-[3-(1H-tetra­zol-5-yl)phen­yl]tetra­zolide} tetra­hydrate

Qiao, C.-F.; Zhou, C.-S.

doi:10.1107/S1600536812001250

metal-organic compounds

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ISSN: 2056-9890

Volume 68| Part 2| February 2012| Page m173

doi:10.1107/S1600536812001250

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Hexaaquamagnesium(II) bis{5-[3-(1H-tetrazol-5-yl)phenyl]tetrazolide} tetrahydrate

Cheng-Fang Qiao ^a and Chun-Sheng Zhou ^a ^*

^aDepartment of Chemistry and Chemical Engineering, Shaanxi Key Laboratory of Comprehensive Utilization of Tailing Resources, Shangluo University, Shangluo 726000, Shaanxi, People's Republic of China
^*Correspondence e-mail: slchunshengzhou@126.com

(Received 2 January 2012; accepted 11 January 2012; online 18 January 2012)

The asymmetric unit of the title compound, [Mg(H₂O)₆](C₈H₅N₈)₂·4H₂O, contains one half of the centrosymmetric dication, one anion and two water molecules. The Mg^II ion is coordinated by six water molecules in a slightly distorted octahedral geometry. In the anion, the two five-membered heterocycles are twisted from the central benzene ring by 4.34 (11) and 3.20 (10)°. In the crystal, O—H⋯N, O—H⋯O and N—H⋯O hydrogen bonds generate a three-dimensional network.

Related literature

For background to tetrazole-containing compounds, see: Zhao et al. (2008 ). For related structures, see: Lü (2008 ); Kostakis et al. (2009a ,b ).

Experimental

Crystal data

[Mg(H₂O)₆](C₈H₅N₈)₂·4H₂O
M_r = 630.87
Monoclinic, P 2₁ /n
a = 7.3776 (12) Å
b = 16.038 (3) Å
c = 12.1787 (19) Å
β = 102.199 (2)°
V = 1408.5 (4) Å³
Z = 2
Mo Kα radiation
μ = 0.14 mm⁻¹
T = 296 K
0.31 × 0.24 × 0.09 mm

Data collection

Bruker APEXII CCD diffractometer
Absorption correction: multi-scan (SADABS; Bruker, 2008 ) T_min = 0.960, T_max = 0.987
6895 measured reflections
2496 independent reflections
2033 reflections with I > 2σ(I)
R_int = 0.023

Refinement

R[F² > 2σ(F²)] = 0.043
wR(F²) = 0.126
S = 1.06
2496 reflections
196 parameters
H-atom parameters constrained
Δρ_max = 0.36 e Å⁻³
Δρ_min = −0.46 e Å⁻³

Table 1
Hydrogen-bond geometry (Å, °)

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
O5—H5B⋯N5ⁱ	0.86	2.02	2.876 (2)	172
O5—H5A⋯N7ⁱⁱ	0.84	2.11	2.921 (2)	164
O4—H4B⋯N6ⁱ	0.87	2.32	3.067 (2)	144
O4—H4A⋯N3ⁱⁱⁱ	0.86	1.89	2.739 (2)	174
O3—H3A⋯N1^iv	0.85	2.16	2.786 (2)	130
O2—H2B⋯O5^v	0.87	1.93	2.787 (2)	172
O2—H2A⋯O5ⁱⁱⁱ	0.85	1.90	2.737 (2)	173
O1—H1B⋯N2^iv	0.85	1.99	2.821 (2)	164
O1—H1A⋯N4ⁱⁱⁱ	0.85	2.09	2.880 (2)	156
N8—H8⋯O4ⁱⁱ	0.86	1.92	2.743 (2)	159
Symmetry codes: (i) $[-x+{\script{3\over 2}}, y+{\script{1\over 2}}, -z+{\script{1\over 2}}]$ ; (ii) -x+1, -y, -z; (iii) $[x-{\script{1\over 2}}, -y+{\script{1\over 2}}, z+{\script{1\over 2}}]$ ; (iv) x, y, z+1; (v) $[-x+{\script{1\over 2}}, y-{\script{1\over 2}}, -z+{\script{1\over 2}}]$ .

Data collection: APEX2 (Bruker, 2008); cell refinement: SAINT (Bruker, 2008); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008 ); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: ORTEP-3 (Farrugia, 1997 ); software used to prepare material for publication: SHELXL97.

Supporting information

Crystal structure: contains datablocks I, global. DOI: 10.1107/S1600536812001250/cv5229sup1.cif

Structure factors: contains datablock I. DOI: 10.1107/S1600536812001250/cv5229Isup2.hkl

checkCIF report

Comment top

Tetrazole compounds have attracted a great deal of attention in the recent years because of their potential as functional materials (Zhao et al., 2008; Kostakis et al., 2009a,b). For an important tetrazole derivative, 5,5'-(1,3-phenylene)bis(1H-tetrazole), some interesting and multifunctional transition metal and rare earths metal complexes with it were reported (Lü, 2008; Kostakis et al., 2009a,b). However, reports on alkaline earth metal compounds with it are very scarce. We report here the synthesis and crystal structure of the title compound (I).

The asymmetric unit of (I) consists of one half of an [Mg(H₂O)₆]²⁺ cation, one mono-deprotonated 5,5'-(1,3-phenylene)bis(1H-tetrazole) anion and two solvent water molecules (Fig.1). The Mg—O bond lengths range from 2.0425 (15) to 2.0793 (15) Å [mean value = 2.0654 (15) Å]. In the crystal structure, intermolecular O—H···N, O—H···O and N—H···O hydrogen bonds (Table 1) link cations, anions and water molecules into a three-dimensinal network. The crystal packing exhibits also intermolecular π-π stacking interactions between five-membered rings with centroid-centroid distances 3.6877 (6) and 3.7959 (6) Å, respectively.

Related literature top

For background to tetrazole-containing compounds, see: Zhao et al. (2008). For related structures, see: Lü (2008); Kostakis et al. (2009a,b).

Experimental top

A mixture of MgCl₂.6H₂O (0.0812 g, 0.4 mmol), NaOH (0.0160 g, 0.4 mmol), 5,5'-(1,3-phenylene)bis(1H-tetrazole) (0.0860 g, 0.4 mmol) and distilled H₂O (8 ml) was sealed in a 15 ml Teflon-lined stainless steel vessel, which was heated at 413 K for 3 days. After the sample was cooled to room temperature at a rate of 5 ^oC/h, the colourless block crystals of (I) suitable for X-ray analysis were obtained.

Computing details top

Data collection: APEX2 (Bruker, 2008); cell refinement: SAINT (Bruker, 2008); data reduction: SAINT (Bruker, 2008); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: ORTEP-3 (Farrugia, 1997); software used to prepare material for publication: SHELXL97 (Sheldrick, 2008).

Figures top

Fig. 1. The content of asymmetric part of (I) showing the atomic numbering and 30% probabilty displacement ellipsoids [symmetry code: (A) -x + 1, -y, -z + 1].

Hexaaquamagnesium(II) bis{5-[3-(1H-tetrazol-5-yl)phenyl]tetrazolide} tetrahydrate top

Crystal data top

[Mg(H₂O)₆](C₈H₅N₈)₂·4H₂O	F(000) = 660
M_r = 630.87	D_x = 1.488 Mg m⁻³ D_m = 1.488 Mg m⁻³ D_m measured by not measured
Monoclinic, P2₁/n	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2yn	Cell parameters from 2462 reflections
a = 7.3776 (12) Å	θ = 3.0–26.7°
b = 16.038 (3) Å	µ = 0.14 mm⁻¹
c = 12.1787 (19) Å	T = 296 K
β = 102.199 (2)°	Block, colourless
V = 1408.5 (4) Å³	0.31 × 0.24 × 0.09 mm
Z = 2

Data collection top

Bruker APEXII CCD diffractometer	2496 independent reflections
Radiation source: fine-focus sealed tube	2033 reflections with I > 2σ(I)
Graphite monochromator	R_int = 0.023
ϕ and ω scans	θ_max = 25.1°, θ_min = 2.1°
Absorption correction: multi-scan (SADABS; Bruker, 2008)	h = −6→8
T_min = 0.960, T_max = 0.987	k = −19→17
6895 measured reflections	l = −14→14

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)] = 0.043	Hydrogen site location: inferred from neighbouring sites
wR(F²) = 0.126	H-atom parameters constrained
S = 1.06	w = 1/[σ²(F_o²) + (0.0669P)² + 0.5848P] where P = (F_o² + 2F_c²)/3
2496 reflections	(Δ/σ)_max < 0.001
196 parameters	Δρ_max = 0.36 e Å⁻³
0 restraints	Δρ_min = −0.46 e Å⁻³

Crystal data top

[Mg(H₂O)₆](C₈H₅N₈)₂·4H₂O	V = 1408.5 (4) Å³
M_r = 630.87	Z = 2
Monoclinic, P2₁/n	Mo Kα radiation
a = 7.3776 (12) Å	µ = 0.14 mm⁻¹
b = 16.038 (3) Å	T = 296 K
c = 12.1787 (19) Å	0.31 × 0.24 × 0.09 mm
β = 102.199 (2)°

Data collection top

Bruker APEXII CCD diffractometer	2496 independent reflections
Absorption correction: multi-scan (SADABS; Bruker, 2008)	2033 reflections with I > 2σ(I)
T_min = 0.960, T_max = 0.987	R_int = 0.023
6895 measured reflections

Refinement top

R[F² > 2σ(F²)] = 0.043	0 restraints
wR(F²) = 0.126	H-atom parameters constrained
S = 1.06	Δρ_max = 0.36 e Å⁻³
2496 reflections	Δρ_min = −0.46 e Å⁻³
196 parameters

Special details top

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.

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

	x	y	z	U_iso*/U_eq
Mg1	0.5000	0.0000	0.5000	0.0304 (3)
C1	0.7904 (3)	0.15136 (12)	−0.09794 (16)	0.0298 (4)
C2	0.8281 (3)	0.10454 (12)	0.00838 (16)	0.0297 (4)
C3	0.9335 (3)	0.14064 (13)	0.10478 (18)	0.0403 (5)
H3	0.9753	0.1952	0.1023	0.048*
C4	0.9768 (4)	0.09637 (14)	0.20399 (19)	0.0481 (6)
H4	1.0476	0.1211	0.2679	0.058*
C5	0.7649 (3)	0.02305 (12)	0.01326 (16)	0.0307 (4)
H5	0.6933	−0.0016	−0.0505	0.037*
C6	0.9152 (3)	0.01543 (14)	0.20876 (18)	0.0429 (5)
H6	0.9451	−0.0143	0.2757	0.051*
C7	0.8087 (3)	−0.02159 (12)	0.11354 (16)	0.0306 (4)
C8	0.7505 (3)	−0.10822 (12)	0.12182 (16)	0.0316 (4)
N1	0.6957 (3)	0.12118 (10)	−0.19549 (14)	0.0382 (4)
N2	0.7003 (3)	0.18189 (11)	−0.27055 (14)	0.0413 (5)
N3	0.7922 (3)	0.24562 (10)	−0.21978 (14)	0.0390 (4)
N4	0.8508 (2)	0.22850 (10)	−0.11037 (14)	0.0366 (4)
N5	0.7909 (3)	−0.15548 (10)	0.21375 (15)	0.0386 (4)
N6	0.7168 (3)	−0.23122 (11)	0.18397 (16)	0.0433 (5)
N7	0.6331 (3)	−0.23186 (11)	0.07931 (16)	0.0426 (5)
N8	0.6528 (2)	−0.15522 (10)	0.03918 (14)	0.0350 (4)
H8	0.6097	−0.1389	−0.0286	0.042*
O1	0.5231 (2)	0.12872 (9)	0.51251 (12)	0.0429 (4)
H1A	0.5065	0.1746	0.4769	0.064*
H1B	0.5592	0.1400	0.5819	0.064*
O2	0.2173 (2)	0.00747 (9)	0.46229 (14)	0.0488 (4)
H2A	0.1668	0.0466	0.4914	0.073*
H2B	0.1493	−0.0367	0.4605	0.073*
O3	0.5006 (3)	−0.00392 (9)	0.67073 (12)	0.0502 (5)
H3A	0.5486	0.0092	0.7382	0.075*
H3B	0.4035	−0.0323	0.6713	0.075*
O4	0.5005 (2)	0.14487 (9)	0.18614 (12)	0.0431 (4)
H4A	0.4286	0.1770	0.2133	0.065*
H4B	0.6097	0.1676	0.2042	0.065*
O5	0.5296 (2)	0.37416 (9)	0.05607 (13)	0.0458 (4)
H5A	0.5036	0.3291	0.0216	0.069*
H5B	0.5769	0.3613	0.1249	0.069*

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
Mg1	0.0341 (5)	0.0253 (5)	0.0291 (5)	−0.0006 (4)	0.0003 (4)	−0.0021 (4)
C1	0.0325 (10)	0.0248 (10)	0.0301 (10)	−0.0002 (8)	0.0018 (8)	−0.0012 (8)
C2	0.0327 (10)	0.0260 (10)	0.0294 (10)	0.0000 (8)	0.0039 (8)	−0.0004 (8)
C3	0.0515 (13)	0.0301 (11)	0.0355 (11)	−0.0112 (9)	0.0009 (10)	−0.0005 (9)
C4	0.0660 (15)	0.0393 (13)	0.0313 (11)	−0.0155 (11)	−0.0075 (11)	−0.0019 (10)
C5	0.0333 (10)	0.0275 (10)	0.0288 (10)	−0.0016 (8)	0.0011 (8)	−0.0033 (8)
C6	0.0571 (14)	0.0362 (12)	0.0303 (11)	−0.0057 (10)	−0.0023 (10)	0.0068 (9)
C7	0.0337 (10)	0.0251 (10)	0.0324 (10)	0.0011 (8)	0.0057 (8)	0.0011 (8)
C8	0.0355 (10)	0.0265 (10)	0.0317 (10)	0.0010 (8)	0.0047 (8)	0.0002 (8)
N1	0.0507 (11)	0.0283 (9)	0.0306 (9)	−0.0049 (8)	−0.0027 (8)	0.0021 (7)
N2	0.0546 (12)	0.0317 (10)	0.0320 (9)	−0.0031 (8)	−0.0036 (8)	0.0018 (8)
N3	0.0504 (11)	0.0303 (9)	0.0318 (9)	−0.0041 (8)	−0.0016 (8)	0.0032 (7)
N4	0.0479 (10)	0.0279 (9)	0.0305 (9)	−0.0054 (8)	0.0001 (8)	0.0024 (7)
N5	0.0485 (11)	0.0286 (9)	0.0355 (9)	−0.0012 (8)	0.0018 (8)	0.0040 (7)
N6	0.0545 (11)	0.0287 (10)	0.0432 (11)	−0.0044 (8)	0.0023 (9)	0.0043 (8)
N7	0.0517 (11)	0.0288 (10)	0.0445 (11)	−0.0041 (8)	0.0039 (9)	0.0003 (8)
N8	0.0444 (10)	0.0267 (9)	0.0317 (9)	−0.0027 (7)	0.0027 (8)	0.0012 (7)
O1	0.0627 (10)	0.0246 (8)	0.0331 (8)	0.0012 (7)	−0.0083 (7)	0.0011 (6)
O2	0.0354 (8)	0.0437 (10)	0.0649 (11)	−0.0002 (7)	0.0050 (8)	−0.0130 (8)
O3	0.0754 (12)	0.0427 (9)	0.0300 (8)	−0.0199 (8)	0.0052 (8)	−0.0035 (7)
O4	0.0500 (9)	0.0369 (9)	0.0406 (8)	0.0009 (7)	0.0055 (7)	−0.0070 (7)
O5	0.0583 (10)	0.0314 (8)	0.0428 (9)	−0.0052 (7)	0.0000 (8)	0.0009 (7)

Geometric parameters (Å, º) top

Mg1—O2	2.0425 (15)	C7—C8	1.464 (3)
Mg1—O2ⁱ	2.0425 (15)	C8—N5	1.332 (3)
Mg1—O1	2.0744 (14)	C8—N8	1.340 (3)
Mg1—O1ⁱ	2.0744 (14)	N1—N2	1.341 (2)
Mg1—O3	2.0793 (15)	N2—N3	1.308 (2)
Mg1—O3ⁱ	2.0793 (15)	N3—N4	1.340 (2)
Mg1—H3B	2.3995	N5—N6	1.350 (2)
C1—N4	1.334 (2)	N6—N7	1.294 (3)
C1—N1	1.335 (3)	N7—N8	1.342 (2)
C1—C2	1.472 (3)	N8—H8	0.8600
C2—C3	1.390 (3)	O1—H1A	0.8500
C2—C5	1.393 (3)	O1—H1B	0.8501
C3—C4	1.379 (3)	O2—H2A	0.8454
C3—H3	0.9300	O2—H2B	0.8653
C4—C6	1.381 (3)	O3—H3A	0.8500
C4—H4	0.9300	O3—H3B	0.8500
C5—C7	1.393 (3)	O4—H4A	0.8555
C5—H5	0.9300	O4—H4B	0.8695
C6—C7	1.389 (3)	O5—H5A	0.8375
C6—H6	0.9300	O5—H5B	0.8620

O2—Mg1—O2ⁱ	180.0	C2—C5—C7	120.11 (18)
O2—Mg1—O1	91.28 (6)	C2—C5—H5	119.9
O2ⁱ—Mg1—O1	88.72 (6)	C7—C5—H5	119.9
O2—Mg1—O1ⁱ	88.72 (6)	C4—C6—C7	119.99 (19)
O2ⁱ—Mg1—O1ⁱ	91.28 (6)	C4—C6—H6	120.0
O1—Mg1—O1ⁱ	180.0	C7—C6—H6	120.0
O2—Mg1—O3	90.74 (7)	C6—C7—C5	119.84 (19)
O2ⁱ—Mg1—O3	89.26 (7)	C6—C7—C8	118.06 (18)
O1—Mg1—O3	88.51 (6)	C5—C7—C8	122.08 (18)
O1ⁱ—Mg1—O3	91.49 (6)	N5—C8—N8	107.48 (17)
O2—Mg1—O3ⁱ	89.26 (7)	N5—C8—C7	125.53 (18)
O2ⁱ—Mg1—O3ⁱ	90.74 (7)	N8—C8—C7	126.96 (18)
O1—Mg1—O3ⁱ	91.49 (6)	C1—N1—N2	105.03 (16)
O1ⁱ—Mg1—O3ⁱ	88.51 (6)	N3—N2—N1	109.31 (16)
O3—Mg1—O3ⁱ	180.0	N2—N3—N4	109.65 (16)
O2—Mg1—H3B	74.4	C1—N4—N3	104.93 (16)
O2ⁱ—Mg1—H3B	105.6	C8—N5—N6	106.28 (17)
O1—Mg1—H3B	100.7	N7—N6—N5	110.72 (16)
O1ⁱ—Mg1—H3B	79.3	N6—N7—N8	106.59 (16)
O3—Mg1—H3B	20.3	C8—N8—N7	108.93 (16)
O3ⁱ—Mg1—H3B	159.7	C8—N8—H8	125.5
N4—C1—N1	111.08 (17)	N7—N8—H8	125.5
N4—C1—C2	124.57 (17)	Mg1—O1—H1A	145.5
N1—C1—C2	124.32 (18)	Mg1—O1—H1B	106.7
C3—C2—C5	119.16 (18)	H1A—O1—H1B	107.7
C3—C2—C1	119.90 (18)	Mg1—O2—H2A	117.9
C5—C2—C1	120.90 (17)	Mg1—O2—H2B	121.1
C4—C3—C2	120.65 (19)	H2A—O2—H2B	108.4
C4—C3—H3	119.7	Mg1—O3—H3A	150.7
C2—C3—H3	119.7	Mg1—O3—H3B	101.6
C3—C4—C6	120.2 (2)	H3A—O3—H3B	107.7
C3—C4—H4	119.9	H4A—O4—H4B	105.4
C6—C4—H4	119.9	H5A—O5—H5B	106.4

Symmetry code: (i) −x+1, −y, −z+1.

Hydrogen-bond geometry (Å, º) top

D—H···A	D—H	H···A	D···A	D—H···A
O5—H5B···N5ⁱⁱ	0.86	2.02	2.876 (2)	172
O5—H5A···N7ⁱⁱⁱ	0.84	2.11	2.921 (2)	164
O4—H4B···N6ⁱⁱ	0.87	2.32	3.067 (2)	144
O4—H4A···N3^iv	0.86	1.89	2.739 (2)	174
O3—H3A···N1^v	0.85	2.16	2.786 (2)	130
O2—H2B···O5^vi	0.87	1.93	2.787 (2)	172
O2—H2A···O5^iv	0.85	1.90	2.737 (2)	173
O1—H1B···N2^v	0.85	1.99	2.821 (2)	164
O1—H1A···N4^iv	0.85	2.09	2.880 (2)	156
N8—H8···O4ⁱⁱⁱ	0.86	1.92	2.743 (2)	159

Symmetry codes: (ii) −x+3/2, y+1/2, −z+1/2; (iii) −x+1, −y, −z; (iv) x−1/2, −y+1/2, z+1/2; (v) x, y, z+1; (vi) −x+1/2, y−1/2, −z+1/2.

Experimental details

Crystal data
Chemical formula	[Mg(H₂O)₆](C₈H₅N₈)₂·4H₂O
M_r	630.87
Crystal system, space group	Monoclinic, P2₁/n
Temperature (K)	296
a, b, c (Å)	7.3776 (12), 16.038 (3), 12.1787 (19)
β (°)	102.199 (2)
V (Å³)	1408.5 (4)
Z	2
Radiation type	Mo Kα
µ (mm⁻¹)	0.14
Crystal size (mm)	0.31 × 0.24 × 0.09

Data collection
Diffractometer	Bruker APEXII CCD diffractometer
Absorption correction	Multi-scan (SADABS; Bruker, 2008)
T_min, T_max	0.960, 0.987
No. of measured, independent and observed [I > 2σ(I)] reflections	6895, 2496, 2033
R_int	0.023
(sin θ/λ)_max (Å⁻¹)	0.597

Refinement
R[F² > 2σ(F²)], wR(F²), S	0.043, 0.126, 1.06
No. of reflections	2496
No. of parameters	196
H-atom treatment	H-atom parameters constrained
Δρ_max, Δρ_min (e Å⁻³)	0.36, −0.46

Computer programs: APEX2 (Bruker, 2008), SAINT (Bruker, 2008), SHELXS97 (Sheldrick, 2008), SHELXL97 (Sheldrick, 2008), ORTEP-3 (Farrugia, 1997).

Hydrogen-bond geometry (Å, º) top

D—H···A	D—H	H···A	D···A	D—H···A
O5—H5B···N5ⁱ	0.86	2.02	2.876 (2)	172.4
O5—H5A···N7ⁱⁱ	0.84	2.11	2.921 (2)	164.2
O4—H4B···N6ⁱ	0.87	2.32	3.067 (2)	144.0
O4—H4A···N3ⁱⁱⁱ	0.86	1.89	2.739 (2)	174.0
O3—H3A···N1^iv	0.85	2.16	2.786 (2)	129.8
O2—H2B···O5^v	0.87	1.93	2.787 (2)	171.9
O2—H2A···O5ⁱⁱⁱ	0.85	1.90	2.737 (2)	173.2
O1—H1B···N2^iv	0.85	1.99	2.821 (2)	164.1
O1—H1A···N4ⁱⁱⁱ	0.85	2.09	2.880 (2)	155.5
N8—H8···O4ⁱⁱ	0.86	1.92	2.743 (2)	159.4

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

Acknowledgements

The authors gratefully acknowledge financial support from the National Science Foundation of China (grant No. 21173168) and the Natural Science Foundation of Shaanxi Province (grant No. FF10091).

References

Bruker (2008). APEX2, SAINT and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA. Google Scholar
Farrugia, L. J. (1997). J. Appl. Cryst. 30, 565. CrossRef IUCr Journals Google Scholar
Kostakis, G. E., Abbas, G., Anson, C. E. & Powell, A. K. (2009a). CrystEngComm, 11, 82–86. Web of Science CSD CrossRef CAS Google Scholar
Kostakis, G. E., Mavrandonakis, A., Abbas, G., Klopper, W., Schooss, D., Lebedkin, S., Lan, Y. H. & Powell, A. K. (2009b). CrystEngComm, 11, 2480–2487. Web of Science CrossRef CAS Google Scholar
Lü, Y. (2008). Acta Cryst. E64, m1255. Web of Science CrossRef IUCr Journals Google Scholar
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Zhao, H., Qu, Z. R., Ye, H. Y. & Xiong, R. G. (2008). Chem. Soc. Rev. 37, 84–100. Web of Science CrossRef PubMed Google Scholar

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Volume 68| Part 2| February 2012| Page m173

doi:10.1107/S1600536812001250

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metal-organic compounds\(\def\hfill{\hskip 5em}\def\hfil{\hskip 3em}\def\eqno#1{\hfil {#1}}\)

Hexa­aqua­magnesium(II) bis­­{5-[3-(1H-tetra­zol-5-yl)phen­yl]tetra­zolide} tetra­hydrate

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Experimental

Crystal data

Data collection

Refinement

Supporting information

Acknowledgements

References

metal-organic compounds

Hexaaquamagnesium(II) bis{5-[3-(1H-tetrazol-5-yl)phenyl]tetrazolide} tetrahydrate